USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 634 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 LYS NZ :NH3+ -170:sc= 2.19 (180deg=0.54) USER MOD Set 1.2: A 77 TYR OH : rot 180:sc= 0.878 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN :FLIP amide:sc= -0.132 F(o=-1.8!,f=-0.13) USER MOD Single : A 18 GLN :FLIP amide:sc= -0.816 F(o=-3.4!,f=-0.82) USER MOD Single : A 19 THR OG1 : rot 180:sc=-0.000596 USER MOD Single : A 25 THR OG1 : rot -35:sc= -0.0232! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0506 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 67 LYS NZ :NH3+ -149:sc= -0.18 (180deg=-1.35!) USER MOD Single : A 68 ASN :FLIP amide:sc= 0 F(o=-0.66,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 98:sc= 0.802 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= -0.0181 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 76:sc= -0.147 USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.202 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 17:sc= 0.44 USER MOD Single : A 97 THR OG1 : rot -140:sc= -0.658 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N PRO A 9 8.987 15.326 -0.171 1.00 0.00 N ATOM 81 CA PRO A 9 8.545 14.159 0.599 1.00 0.00 C ATOM 82 C PRO A 9 9.282 12.886 0.198 1.00 0.00 C ATOM 83 O PRO A 9 9.369 12.555 -0.985 1.00 0.00 O ATOM 84 CB PRO A 9 7.058 14.048 0.251 1.00 0.00 C ATOM 85 CG PRO A 9 6.932 14.696 -1.085 1.00 0.00 C ATOM 86 CD PRO A 9 7.955 15.798 -1.109 1.00 0.00 C ATOM 0 HA PRO A 9 8.741 14.276 1.665 1.00 0.00 H new ATOM 0 HB2 PRO A 9 6.736 13.007 0.218 1.00 0.00 H new ATOM 0 HB3 PRO A 9 6.439 14.550 0.994 1.00 0.00 H new ATOM 0 HG2 PRO A 9 7.113 13.978 -1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.928 15.093 -1.233 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.360 15.948 -2.110 1.00 0.00 H new ATOM 0 HD3 PRO A 9 7.528 16.749 -0.791 1.00 0.00 H new ATOM 94 N ILE A 10 9.810 12.177 1.189 1.00 0.00 N ATOM 95 CA ILE A 10 10.539 10.939 0.939 1.00 0.00 C ATOM 96 C ILE A 10 9.942 9.780 1.730 1.00 0.00 C ATOM 97 O ILE A 10 9.552 9.941 2.887 1.00 0.00 O ATOM 98 CB ILE A 10 12.029 11.080 1.302 1.00 0.00 C ATOM 99 CG1 ILE A 10 12.694 12.138 0.419 1.00 0.00 C ATOM 100 CG2 ILE A 10 12.737 9.741 1.158 1.00 0.00 C ATOM 101 CD1 ILE A 10 14.063 12.558 0.906 1.00 0.00 C ATOM 0 H ILE A 10 9.747 12.438 2.173 1.00 0.00 H new ATOM 0 HA ILE A 10 10.451 10.731 -0.127 1.00 0.00 H new ATOM 0 HB ILE A 10 12.106 11.401 2.341 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.782 11.750 -0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.050 13.016 0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.789 9.856 1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 10 12.276 9.012 1.825 1.00 0.00 H new ATOM 0 HG23 ILE A 10 12.653 9.394 0.128 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.474 13.310 0.232 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.980 12.977 1.909 1.00 0.00 H new ATOM 0 HD13 ILE A 10 14.723 11.691 0.928 1.00 0.00 H new ATOM 113 N ILE A 11 9.875 8.613 1.099 1.00 0.00 N ATOM 114 CA ILE A 11 9.328 7.426 1.745 1.00 0.00 C ATOM 115 C ILE A 11 10.416 6.647 2.475 1.00 0.00 C ATOM 116 O ILE A 11 10.990 5.702 1.931 1.00 0.00 O ATOM 117 CB ILE A 11 8.641 6.497 0.727 1.00 0.00 C ATOM 118 CG1 ILE A 11 7.373 7.153 0.178 1.00 0.00 C ATOM 119 CG2 ILE A 11 8.316 5.156 1.369 1.00 0.00 C ATOM 120 CD1 ILE A 11 6.801 6.447 -1.031 1.00 0.00 C ATOM 0 H ILE A 11 10.193 8.464 0.141 1.00 0.00 H new ATOM 0 HA ILE A 11 8.587 7.772 2.466 1.00 0.00 H new ATOM 0 HB ILE A 11 9.325 6.324 -0.104 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.618 7.179 0.964 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.594 8.187 -0.086 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.831 4.510 0.637 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.236 4.685 1.714 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.648 5.311 2.216 1.00 0.00 H new ATOM 0 HD11 ILE A 11 5.904 6.967 -1.366 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.539 6.444 -1.833 1.00 0.00 H new ATOM 0 HD13 ILE A 11 6.548 5.420 -0.767 1.00 0.00 H new ATOM 132 N LEU A 12 10.695 7.047 3.710 1.00 0.00 N ATOM 133 CA LEU A 12 11.714 6.385 4.517 1.00 0.00 C ATOM 134 C LEU A 12 11.527 4.871 4.496 1.00 0.00 C ATOM 135 O LEU A 12 12.426 4.131 4.097 1.00 0.00 O ATOM 136 CB LEU A 12 11.664 6.896 5.958 1.00 0.00 C ATOM 137 CG LEU A 12 11.746 8.412 6.136 1.00 0.00 C ATOM 138 CD1 LEU A 12 11.407 8.802 7.566 1.00 0.00 C ATOM 139 CD2 LEU A 12 13.130 8.919 5.757 1.00 0.00 C ATOM 0 H LEU A 12 10.230 7.827 4.175 1.00 0.00 H new ATOM 0 HA LEU A 12 12.689 6.618 4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.738 6.546 6.414 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.484 6.440 6.512 1.00 0.00 H new ATOM 0 HG LEU A 12 11.016 8.876 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.471 9.885 7.673 1.00 0.00 H new ATOM 0 HD12 LEU A 12 10.395 8.473 7.803 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.112 8.328 8.249 1.00 0.00 H new ATOM 0 HD21 LEU A 12 13.170 10.000 5.890 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.878 8.447 6.394 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.335 8.674 4.715 1.00 0.00 H new ATOM 151 N GLN A 13 10.354 4.419 4.926 1.00 0.00 N ATOM 152 CA GLN A 13 10.049 2.993 4.954 1.00 0.00 C ATOM 153 C GLN A 13 8.759 2.697 4.197 1.00 0.00 C ATOM 154 O GLN A 13 7.689 2.580 4.794 1.00 0.00 O ATOM 155 CB GLN A 13 9.930 2.504 6.399 1.00 0.00 C ATOM 156 CG GLN A 13 10.320 1.046 6.582 1.00 0.00 C ATOM 157 CD GLN A 13 10.121 0.563 8.005 1.00 0.00 C ATOM 158 OE1 GLN A 13 8.991 0.444 8.479 1.00 0.00 O ATOM 159 NE2 GLN A 13 11.220 0.281 8.694 1.00 0.00 N ATOM 0 H GLN A 13 9.599 5.019 5.260 1.00 0.00 H new ATOM 0 HA GLN A 13 10.866 2.463 4.464 1.00 0.00 H new ATOM 0 HB2 GLN A 13 10.561 3.123 7.036 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.903 2.642 6.737 1.00 0.00 H new ATOM 0 HG2 GLN A 13 9.728 0.428 5.907 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.365 0.915 6.301 1.00 0.00 H new ATOM 0 HE21 GLN A 13 12.137 0.394 8.261 1.00 0.00 H new ATOM 0 HE22 GLN A 13 11.148 -0.049 9.656 1.00 0.00 H new ATOM 168 N GLY A 14 8.867 2.577 2.877 1.00 0.00 N ATOM 169 CA GLY A 14 7.701 2.296 2.059 1.00 0.00 C ATOM 170 C GLY A 14 7.349 0.822 2.038 1.00 0.00 C ATOM 171 O GLY A 14 7.910 0.018 2.783 1.00 0.00 O ATOM 0 H GLY A 14 9.741 2.669 2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.851 2.864 2.437 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.885 2.637 1.040 1.00 0.00 H new ATOM 175 N PRO A 15 6.398 0.449 1.169 1.00 0.00 N ATOM 176 CA PRO A 15 5.950 -0.940 1.034 1.00 0.00 C ATOM 177 C PRO A 15 7.014 -1.834 0.405 1.00 0.00 C ATOM 178 O PRO A 15 8.116 -1.381 0.097 1.00 0.00 O ATOM 179 CB PRO A 15 4.731 -0.831 0.115 1.00 0.00 C ATOM 180 CG PRO A 15 4.957 0.416 -0.668 1.00 0.00 C ATOM 181 CD PRO A 15 5.688 1.355 0.251 1.00 0.00 C ATOM 0 HA PRO A 15 5.733 -1.394 2.001 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.649 -1.699 -0.539 1.00 0.00 H new ATOM 0 HB3 PRO A 15 3.806 -0.776 0.689 1.00 0.00 H new ATOM 0 HG2 PRO A 15 5.542 0.213 -1.565 1.00 0.00 H new ATOM 0 HG3 PRO A 15 4.011 0.848 -0.996 1.00 0.00 H new ATOM 0 HD2 PRO A 15 6.380 1.996 -0.296 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.001 2.011 0.785 1.00 0.00 H new ATOM 189 N ALA A 16 6.676 -3.105 0.216 1.00 0.00 N ATOM 190 CA ALA A 16 7.601 -4.061 -0.378 1.00 0.00 C ATOM 191 C ALA A 16 6.852 -5.234 -1.003 1.00 0.00 C ATOM 192 O ALA A 16 5.694 -5.489 -0.674 1.00 0.00 O ATOM 193 CB ALA A 16 8.589 -4.559 0.666 1.00 0.00 C ATOM 0 H ALA A 16 5.768 -3.496 0.466 1.00 0.00 H new ATOM 0 HA ALA A 16 8.152 -3.552 -1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.274 -5.273 0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 16 9.155 -3.716 1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 16 8.047 -5.046 1.477 1.00 0.00 H new ATOM 199 N ASN A 17 7.521 -5.944 -1.906 1.00 0.00 N ATOM 200 CA ASN A 17 6.918 -7.089 -2.577 1.00 0.00 C ATOM 201 C ASN A 17 6.710 -8.244 -1.602 1.00 0.00 C ATOM 202 O ASN A 17 7.668 -8.885 -1.172 1.00 0.00 O ATOM 203 CB ASN A 17 7.797 -7.544 -3.744 1.00 0.00 C ATOM 204 CG ASN A 17 9.255 -7.680 -3.350 1.00 0.00 C ATOM 205 OD1 ASN A 17 9.974 -6.563 -3.350 1.00 0.00 O flip ATOM 206 ND2 ASN A 17 9.730 -8.775 -3.049 1.00 0.00 N flip ATOM 0 H ASN A 17 8.481 -5.746 -2.190 1.00 0.00 H new ATOM 0 HA ASN A 17 5.945 -6.782 -2.961 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.433 -8.501 -4.118 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.710 -6.829 -4.562 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.141 -9.608 -3.063 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.713 -8.850 -2.786 1.00 0.00 H new ATOM 213 N GLN A 18 5.452 -8.503 -1.259 1.00 0.00 N ATOM 214 CA GLN A 18 5.119 -9.580 -0.335 1.00 0.00 C ATOM 215 C GLN A 18 4.162 -10.576 -0.982 1.00 0.00 C ATOM 216 O GLN A 18 3.367 -10.216 -1.850 1.00 0.00 O ATOM 217 CB GLN A 18 4.495 -9.011 0.941 1.00 0.00 C ATOM 218 CG GLN A 18 3.457 -7.932 0.682 1.00 0.00 C ATOM 219 CD GLN A 18 3.122 -7.134 1.926 1.00 0.00 C ATOM 220 OE1 GLN A 18 3.139 -5.811 1.805 1.00 0.00 O flip ATOM 221 NE2 GLN A 18 2.850 -7.699 2.986 1.00 0.00 N flip ATOM 0 H GLN A 18 4.647 -7.982 -1.607 1.00 0.00 H new ATOM 0 HA GLN A 18 6.040 -10.103 -0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.031 -9.823 1.502 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.285 -8.600 1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.826 -7.257 -0.090 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.548 -8.393 0.295 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.848 -8.718 3.035 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.626 -7.148 3.815 1.00 0.00 H new ATOM 230 N THR A 19 4.246 -11.832 -0.554 1.00 0.00 N ATOM 231 CA THR A 19 3.389 -12.881 -1.093 1.00 0.00 C ATOM 232 C THR A 19 2.533 -13.508 0.001 1.00 0.00 C ATOM 233 O THR A 19 2.979 -14.411 0.711 1.00 0.00 O ATOM 234 CB THR A 19 4.216 -13.985 -1.779 1.00 0.00 C ATOM 235 OG1 THR A 19 4.906 -13.448 -2.913 1.00 0.00 O ATOM 236 CG2 THR A 19 3.323 -15.135 -2.219 1.00 0.00 C ATOM 0 H THR A 19 4.898 -12.147 0.164 1.00 0.00 H new ATOM 0 HA THR A 19 2.741 -12.411 -1.832 1.00 0.00 H new ATOM 0 HB THR A 19 4.942 -14.364 -1.060 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.431 -14.156 -3.342 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.929 -15.902 -2.701 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.823 -15.561 -1.349 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.576 -14.767 -2.923 1.00 0.00 H new ATOM 244 N LEU A 20 1.303 -13.026 0.133 1.00 0.00 N ATOM 245 CA LEU A 20 0.383 -13.541 1.142 1.00 0.00 C ATOM 246 C LEU A 20 -0.571 -14.565 0.537 1.00 0.00 C ATOM 247 O LEU A 20 -0.552 -14.810 -0.669 1.00 0.00 O ATOM 248 CB LEU A 20 -0.412 -12.394 1.768 1.00 0.00 C ATOM 249 CG LEU A 20 0.412 -11.247 2.354 1.00 0.00 C ATOM 250 CD1 LEU A 20 -0.457 -10.016 2.560 1.00 0.00 C ATOM 251 CD2 LEU A 20 1.057 -11.671 3.666 1.00 0.00 C ATOM 0 H LEU A 20 0.919 -12.279 -0.446 1.00 0.00 H new ATOM 0 HA LEU A 20 0.971 -14.033 1.917 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.079 -11.985 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.041 -12.804 2.558 1.00 0.00 H new ATOM 0 HG LEU A 20 1.202 -10.995 1.647 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.147 -9.210 2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.872 -9.700 1.603 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.269 -10.255 3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.640 -10.843 4.069 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.281 -11.950 4.379 1.00 0.00 H new ATOM 0 HD23 LEU A 20 1.712 -12.524 3.490 1.00 0.00 H new ATOM 263 N ALA A 21 -1.406 -15.160 1.382 1.00 0.00 N ATOM 264 CA ALA A 21 -2.371 -16.155 0.930 1.00 0.00 C ATOM 265 C ALA A 21 -3.779 -15.572 0.880 1.00 0.00 C ATOM 266 O ALA A 21 -4.175 -14.803 1.757 1.00 0.00 O ATOM 267 CB ALA A 21 -2.335 -17.375 1.838 1.00 0.00 C ATOM 0 H ALA A 21 -1.434 -14.970 2.384 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.096 -16.459 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -3.060 -18.110 1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.337 -17.813 1.819 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.582 -17.077 2.857 1.00 0.00 H new ATOM 273 N VAL A 22 -4.531 -15.941 -0.151 1.00 0.00 N ATOM 274 CA VAL A 22 -5.896 -15.454 -0.315 1.00 0.00 C ATOM 275 C VAL A 22 -6.674 -15.549 0.992 1.00 0.00 C ATOM 276 O VAL A 22 -6.337 -16.343 1.871 1.00 0.00 O ATOM 277 CB VAL A 22 -6.646 -16.243 -1.405 1.00 0.00 C ATOM 278 CG1 VAL A 22 -6.463 -17.740 -1.202 1.00 0.00 C ATOM 279 CG2 VAL A 22 -8.122 -15.873 -1.410 1.00 0.00 C ATOM 0 H VAL A 22 -4.219 -16.576 -0.886 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.825 -14.409 -0.617 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.226 -15.978 -2.375 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.000 -18.281 -1.981 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.403 -17.987 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.855 -18.025 -0.226 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.637 -16.440 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.559 -16.107 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.229 -14.807 -1.608 1.00 0.00 H new ATOM 289 N ASP A 23 -7.717 -14.735 1.114 1.00 0.00 N ATOM 290 CA ASP A 23 -8.545 -14.728 2.314 1.00 0.00 C ATOM 291 C ASP A 23 -7.728 -14.319 3.536 1.00 0.00 C ATOM 292 O ASP A 23 -7.928 -14.840 4.632 1.00 0.00 O ATOM 293 CB ASP A 23 -9.166 -16.108 2.539 1.00 0.00 C ATOM 294 CG ASP A 23 -10.002 -16.566 1.360 1.00 0.00 C ATOM 295 OD1 ASP A 23 -10.666 -15.712 0.736 1.00 0.00 O ATOM 296 OD2 ASP A 23 -9.990 -17.778 1.061 1.00 0.00 O ATOM 0 H ASP A 23 -8.009 -14.072 0.396 1.00 0.00 H new ATOM 0 HA ASP A 23 -9.342 -13.998 2.171 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -8.374 -16.834 2.723 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -9.788 -16.082 3.434 1.00 0.00 H new ATOM 301 N GLY A 24 -6.806 -13.381 3.338 1.00 0.00 N ATOM 302 CA GLY A 24 -5.972 -12.919 4.431 1.00 0.00 C ATOM 303 C GLY A 24 -6.073 -11.421 4.644 1.00 0.00 C ATOM 304 O GLY A 24 -7.169 -10.879 4.789 1.00 0.00 O ATOM 0 H GLY A 24 -6.622 -12.933 2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.261 -13.434 5.347 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.934 -13.185 4.230 1.00 0.00 H new ATOM 308 N THR A 25 -4.926 -10.749 4.666 1.00 0.00 N ATOM 309 CA THR A 25 -4.890 -9.306 4.865 1.00 0.00 C ATOM 310 C THR A 25 -3.540 -8.728 4.455 1.00 0.00 C ATOM 311 O THR A 25 -2.504 -9.089 5.013 1.00 0.00 O ATOM 312 CB THR A 25 -5.169 -8.935 6.334 1.00 0.00 C ATOM 313 OG1 THR A 25 -6.236 -9.739 6.848 1.00 0.00 O ATOM 314 CG2 THR A 25 -5.530 -7.463 6.461 1.00 0.00 C ATOM 0 H THR A 25 -4.010 -11.182 4.548 1.00 0.00 H new ATOM 0 HA THR A 25 -5.671 -8.880 4.235 1.00 0.00 H new ATOM 0 HB THR A 25 -4.263 -9.122 6.911 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.887 -9.912 6.136 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.723 -7.225 7.507 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.704 -6.853 6.096 1.00 0.00 H new ATOM 0 HG23 THR A 25 -6.423 -7.255 5.871 1.00 0.00 H new ATOM 322 N ALA A 26 -3.559 -7.829 3.476 1.00 0.00 N ATOM 323 CA ALA A 26 -2.337 -7.200 2.993 1.00 0.00 C ATOM 324 C ALA A 26 -2.032 -5.924 3.771 1.00 0.00 C ATOM 325 O ALA A 26 -2.769 -4.940 3.684 1.00 0.00 O ATOM 326 CB ALA A 26 -2.450 -6.899 1.506 1.00 0.00 C ATOM 0 H ALA A 26 -4.408 -7.520 3.002 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.513 -7.896 3.150 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.530 -6.429 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.613 -7.827 0.958 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.289 -6.225 1.334 1.00 0.00 H new ATOM 332 N LEU A 27 -0.943 -5.946 4.532 1.00 0.00 N ATOM 333 CA LEU A 27 -0.541 -4.791 5.326 1.00 0.00 C ATOM 334 C LEU A 27 0.606 -4.041 4.656 1.00 0.00 C ATOM 335 O LEU A 27 1.770 -4.209 5.022 1.00 0.00 O ATOM 336 CB LEU A 27 -0.125 -5.232 6.731 1.00 0.00 C ATOM 337 CG LEU A 27 -1.236 -5.270 7.780 1.00 0.00 C ATOM 338 CD1 LEU A 27 -1.820 -3.881 7.989 1.00 0.00 C ATOM 339 CD2 LEU A 27 -2.325 -6.251 7.368 1.00 0.00 C ATOM 0 H LEU A 27 -0.323 -6.751 4.616 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.396 -4.119 5.401 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.316 -6.226 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.657 -4.560 7.084 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.807 -5.608 8.723 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.609 -3.927 8.739 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.036 -3.204 8.329 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.233 -3.515 7.049 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.108 -6.265 8.126 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.750 -5.942 6.413 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.897 -7.249 7.269 1.00 0.00 H new ATOM 351 N LEU A 28 0.270 -3.212 3.674 1.00 0.00 N ATOM 352 CA LEU A 28 1.271 -2.434 2.953 1.00 0.00 C ATOM 353 C LEU A 28 1.515 -1.093 3.637 1.00 0.00 C ATOM 354 O LEU A 28 0.718 -0.163 3.507 1.00 0.00 O ATOM 355 CB LEU A 28 0.826 -2.209 1.507 1.00 0.00 C ATOM 356 CG LEU A 28 0.813 -3.446 0.608 1.00 0.00 C ATOM 357 CD1 LEU A 28 -0.257 -3.314 -0.465 1.00 0.00 C ATOM 358 CD2 LEU A 28 2.180 -3.661 -0.023 1.00 0.00 C ATOM 0 H LEU A 28 -0.688 -3.061 3.359 1.00 0.00 H new ATOM 0 HA LEU A 28 2.204 -2.997 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.177 -1.783 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.483 -1.465 1.057 1.00 0.00 H new ATOM 0 HG LEU A 28 0.578 -4.316 1.222 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.252 -4.203 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.234 -3.209 0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.053 -2.435 -1.076 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.152 -4.546 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.445 -2.790 -0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.924 -3.801 0.761 1.00 0.00 H new ATOM 370 N LYS A 29 2.622 -0.998 4.365 1.00 0.00 N ATOM 371 CA LYS A 29 2.974 0.230 5.067 1.00 0.00 C ATOM 372 C LYS A 29 3.727 1.186 4.148 1.00 0.00 C ATOM 373 O LYS A 29 4.586 0.769 3.370 1.00 0.00 O ATOM 374 CB LYS A 29 3.826 -0.088 6.298 1.00 0.00 C ATOM 375 CG LYS A 29 3.068 -0.823 7.390 1.00 0.00 C ATOM 376 CD LYS A 29 3.984 -1.733 8.190 1.00 0.00 C ATOM 377 CE LYS A 29 3.237 -2.945 8.726 1.00 0.00 C ATOM 378 NZ LYS A 29 3.867 -3.481 9.964 1.00 0.00 N ATOM 0 H LYS A 29 3.292 -1.758 4.484 1.00 0.00 H new ATOM 0 HA LYS A 29 2.051 0.713 5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.681 -0.691 5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.222 0.842 6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.598 -0.100 8.057 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.267 -1.413 6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.811 -2.063 7.561 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.418 -1.175 9.020 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.203 -2.671 8.934 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.214 -3.724 7.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.329 -4.306 10.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.846 -3.766 9.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.866 -2.746 10.700 1.00 0.00 H new ATOM 392 N CYS A 30 3.401 2.471 4.243 1.00 0.00 N ATOM 393 CA CYS A 30 4.047 3.487 3.420 1.00 0.00 C ATOM 394 C CYS A 30 4.436 4.700 4.260 1.00 0.00 C ATOM 395 O CYS A 30 3.700 5.685 4.327 1.00 0.00 O ATOM 396 CB CYS A 30 3.119 3.917 2.282 1.00 0.00 C ATOM 397 SG CYS A 30 3.832 5.180 1.179 1.00 0.00 S ATOM 0 H CYS A 30 2.693 2.833 4.882 1.00 0.00 H new ATOM 0 HA CYS A 30 4.953 3.054 2.997 1.00 0.00 H new ATOM 0 HB2 CYS A 30 2.856 3.040 1.691 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.193 4.303 2.708 1.00 0.00 H new ATOM 402 N LYS A 31 5.597 4.622 4.900 1.00 0.00 N ATOM 403 CA LYS A 31 6.087 5.713 5.735 1.00 0.00 C ATOM 404 C LYS A 31 6.740 6.798 4.885 1.00 0.00 C ATOM 405 O LYS A 31 7.480 6.503 3.947 1.00 0.00 O ATOM 406 CB LYS A 31 7.088 5.185 6.765 1.00 0.00 C ATOM 407 CG LYS A 31 7.150 6.015 8.035 1.00 0.00 C ATOM 408 CD LYS A 31 7.825 5.256 9.165 1.00 0.00 C ATOM 409 CE LYS A 31 8.516 6.201 10.136 1.00 0.00 C ATOM 410 NZ LYS A 31 9.213 5.464 11.226 1.00 0.00 N ATOM 0 H LYS A 31 6.218 3.814 4.857 1.00 0.00 H new ATOM 0 HA LYS A 31 5.235 6.149 6.256 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.823 4.160 7.024 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.079 5.154 6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.694 6.939 7.840 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.141 6.296 8.336 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.084 4.662 9.699 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.555 4.559 8.752 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.236 6.815 9.595 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.780 6.879 10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.671 6.143 11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.522 4.897 11.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 9.933 4.836 10.815 1.00 0.00 H new ATOM 424 N ALA A 32 6.462 8.053 5.221 1.00 0.00 N ATOM 425 CA ALA A 32 7.025 9.182 4.490 1.00 0.00 C ATOM 426 C ALA A 32 7.219 10.386 5.405 1.00 0.00 C ATOM 427 O ALA A 32 6.466 10.582 6.360 1.00 0.00 O ATOM 428 CB ALA A 32 6.132 9.548 3.314 1.00 0.00 C ATOM 0 H ALA A 32 5.850 8.314 5.995 1.00 0.00 H new ATOM 0 HA ALA A 32 8.003 8.886 4.110 1.00 0.00 H new ATOM 0 HB1 ALA A 32 6.565 10.392 2.778 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.049 8.695 2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.142 9.820 3.680 1.00 0.00 H new ATOM 434 N THR A 33 8.235 11.191 5.109 1.00 0.00 N ATOM 435 CA THR A 33 8.529 12.376 5.906 1.00 0.00 C ATOM 436 C THR A 33 8.502 13.636 5.049 1.00 0.00 C ATOM 437 O THR A 33 8.849 13.604 3.869 1.00 0.00 O ATOM 438 CB THR A 33 9.905 12.264 6.591 1.00 0.00 C ATOM 439 OG1 THR A 33 10.158 13.436 7.374 1.00 0.00 O ATOM 440 CG2 THR A 33 11.010 12.088 5.561 1.00 0.00 C ATOM 0 H THR A 33 8.868 11.044 4.323 1.00 0.00 H new ATOM 0 HA THR A 33 7.755 12.443 6.670 1.00 0.00 H new ATOM 0 HB THR A 33 9.893 11.389 7.240 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.033 13.357 7.808 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.972 12.011 6.068 1.00 0.00 H new ATOM 0 HG22 THR A 33 10.830 11.180 4.986 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.022 12.947 4.890 1.00 0.00 H new ATOM 448 N GLY A 34 8.087 14.747 5.650 1.00 0.00 N ATOM 449 CA GLY A 34 8.023 16.003 4.926 1.00 0.00 C ATOM 450 C GLY A 34 7.176 17.039 5.637 1.00 0.00 C ATOM 451 O GLY A 34 6.481 16.726 6.605 1.00 0.00 O ATOM 0 H GLY A 34 7.794 14.800 6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.032 16.393 4.791 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.615 15.825 3.931 1.00 0.00 H new ATOM 455 N ASP A 35 7.233 18.277 5.159 1.00 0.00 N ATOM 456 CA ASP A 35 6.465 19.364 5.756 1.00 0.00 C ATOM 457 C ASP A 35 5.922 20.300 4.681 1.00 0.00 C ATOM 458 O ASP A 35 6.669 20.873 3.887 1.00 0.00 O ATOM 459 CB ASP A 35 7.332 20.148 6.742 1.00 0.00 C ATOM 460 CG ASP A 35 8.599 20.680 6.102 1.00 0.00 C ATOM 461 OD1 ASP A 35 9.594 19.928 6.041 1.00 0.00 O ATOM 462 OD2 ASP A 35 8.596 21.850 5.664 1.00 0.00 O ATOM 0 H ASP A 35 7.803 18.553 4.360 1.00 0.00 H new ATOM 0 HA ASP A 35 5.622 18.928 6.292 1.00 0.00 H new ATOM 0 HB2 ASP A 35 6.756 20.980 7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.595 19.505 7.582 1.00 0.00 H new ATOM 467 N PRO A 36 4.590 20.458 4.651 1.00 0.00 N ATOM 468 CA PRO A 36 3.691 19.781 5.590 1.00 0.00 C ATOM 469 C PRO A 36 3.616 18.279 5.339 1.00 0.00 C ATOM 470 O PRO A 36 4.131 17.780 4.337 1.00 0.00 O ATOM 471 CB PRO A 36 2.335 20.437 5.319 1.00 0.00 C ATOM 472 CG PRO A 36 2.423 20.922 3.913 1.00 0.00 C ATOM 473 CD PRO A 36 3.860 21.312 3.699 1.00 0.00 C ATOM 0 HA PRO A 36 4.029 19.880 6.622 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.519 19.725 5.442 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.148 21.259 6.010 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.121 20.144 3.212 1.00 0.00 H new ATOM 0 HG3 PRO A 36 1.760 21.772 3.751 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.177 21.131 2.672 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.024 22.370 3.901 1.00 0.00 H new ATOM 481 N LEU A 37 2.972 17.562 6.253 1.00 0.00 N ATOM 482 CA LEU A 37 2.829 16.115 6.130 1.00 0.00 C ATOM 483 C LEU A 37 2.269 15.738 4.763 1.00 0.00 C ATOM 484 O LEU A 37 1.249 16.263 4.316 1.00 0.00 O ATOM 485 CB LEU A 37 1.916 15.578 7.234 1.00 0.00 C ATOM 486 CG LEU A 37 1.915 14.061 7.424 1.00 0.00 C ATOM 487 CD1 LEU A 37 3.143 13.620 8.205 1.00 0.00 C ATOM 488 CD2 LEU A 37 0.643 13.613 8.129 1.00 0.00 C ATOM 0 H LEU A 37 2.540 17.959 7.088 1.00 0.00 H new ATOM 0 HA LEU A 37 3.817 15.666 6.234 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.207 16.042 8.176 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.896 15.898 7.022 1.00 0.00 H new ATOM 0 HG LEU A 37 1.947 13.591 6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.125 12.537 8.330 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.043 13.907 7.661 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.143 14.099 9.184 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.659 12.531 8.256 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.581 14.092 9.106 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.223 13.895 7.531 1.00 0.00 H new ATOM 500 N PRO A 38 2.950 14.804 4.082 1.00 0.00 N ATOM 501 CA PRO A 38 2.537 14.333 2.756 1.00 0.00 C ATOM 502 C PRO A 38 1.258 13.504 2.808 1.00 0.00 C ATOM 503 O PRO A 38 0.997 12.807 3.788 1.00 0.00 O ATOM 504 CB PRO A 38 3.717 13.469 2.304 1.00 0.00 C ATOM 505 CG PRO A 38 4.361 13.015 3.568 1.00 0.00 C ATOM 506 CD PRO A 38 4.174 14.135 4.553 1.00 0.00 C ATOM 0 HA PRO A 38 2.313 15.159 2.081 1.00 0.00 H new ATOM 0 HB2 PRO A 38 3.381 12.623 1.705 1.00 0.00 H new ATOM 0 HB3 PRO A 38 4.412 14.040 1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.902 12.095 3.931 1.00 0.00 H new ATOM 0 HG3 PRO A 38 5.419 12.804 3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.061 13.760 5.570 1.00 0.00 H new ATOM 0 HD3 PRO A 38 5.027 14.814 4.556 1.00 0.00 H new ATOM 514 N VAL A 39 0.464 13.584 1.745 1.00 0.00 N ATOM 515 CA VAL A 39 -0.788 12.839 1.669 1.00 0.00 C ATOM 516 C VAL A 39 -0.572 11.464 1.048 1.00 0.00 C ATOM 517 O VAL A 39 -0.490 11.329 -0.173 1.00 0.00 O ATOM 518 CB VAL A 39 -1.845 13.601 0.847 1.00 0.00 C ATOM 519 CG1 VAL A 39 -3.124 12.786 0.736 1.00 0.00 C ATOM 520 CG2 VAL A 39 -2.122 14.962 1.467 1.00 0.00 C ATOM 0 H VAL A 39 0.665 14.157 0.925 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.149 12.720 2.691 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.455 13.758 -0.158 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.859 13.340 0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.910 11.838 0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.522 12.595 1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.871 15.487 0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.492 14.830 2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.202 15.546 1.489 1.00 0.00 H new ATOM 530 N ILE A 40 -0.481 10.445 1.897 1.00 0.00 N ATOM 531 CA ILE A 40 -0.276 9.079 1.431 1.00 0.00 C ATOM 532 C ILE A 40 -1.389 8.650 0.481 1.00 0.00 C ATOM 533 O ILE A 40 -2.562 8.943 0.710 1.00 0.00 O ATOM 534 CB ILE A 40 -0.210 8.088 2.607 1.00 0.00 C ATOM 535 CG1 ILE A 40 0.972 8.423 3.519 1.00 0.00 C ATOM 536 CG2 ILE A 40 -0.100 6.661 2.092 1.00 0.00 C ATOM 537 CD1 ILE A 40 2.312 8.354 2.821 1.00 0.00 C ATOM 0 H ILE A 40 -0.546 10.540 2.910 1.00 0.00 H new ATOM 0 HA ILE A 40 0.676 9.065 0.901 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.129 8.174 3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.834 9.425 3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.975 7.734 4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.054 5.972 2.936 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.971 6.427 1.479 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.804 6.560 1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.104 8.603 3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 40 2.471 7.346 2.438 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.328 9.063 1.993 1.00 0.00 H new ATOM 549 N SER A 41 -1.012 7.952 -0.585 1.00 0.00 N ATOM 550 CA SER A 41 -1.978 7.483 -1.572 1.00 0.00 C ATOM 551 C SER A 41 -1.604 6.094 -2.081 1.00 0.00 C ATOM 552 O SER A 41 -0.611 5.510 -1.649 1.00 0.00 O ATOM 553 CB SER A 41 -2.059 8.463 -2.744 1.00 0.00 C ATOM 554 OG SER A 41 -2.494 9.740 -2.312 1.00 0.00 O ATOM 0 H SER A 41 -0.045 7.699 -0.788 1.00 0.00 H new ATOM 0 HA SER A 41 -2.953 7.424 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.081 8.550 -3.218 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.745 8.077 -3.498 1.00 0.00 H new ATOM 0 HG SER A 41 -2.536 10.348 -3.079 1.00 0.00 H new ATOM 560 N TRP A 42 -2.407 5.572 -3.001 1.00 0.00 N ATOM 561 CA TRP A 42 -2.161 4.251 -3.570 1.00 0.00 C ATOM 562 C TRP A 42 -2.761 4.140 -4.967 1.00 0.00 C ATOM 563 O TRP A 42 -3.895 4.560 -5.202 1.00 0.00 O ATOM 564 CB TRP A 42 -2.745 3.167 -2.663 1.00 0.00 C ATOM 565 CG TRP A 42 -2.077 3.090 -1.323 1.00 0.00 C ATOM 566 CD1 TRP A 42 -2.532 3.620 -0.149 1.00 0.00 C ATOM 567 CD2 TRP A 42 -0.834 2.448 -1.021 1.00 0.00 C ATOM 568 NE1 TRP A 42 -1.646 3.345 0.865 1.00 0.00 N ATOM 569 CE2 TRP A 42 -0.596 2.627 0.356 1.00 0.00 C ATOM 570 CE3 TRP A 42 0.101 1.737 -1.779 1.00 0.00 C ATOM 571 CZ2 TRP A 42 0.537 2.122 0.988 1.00 0.00 C ATOM 572 CZ3 TRP A 42 1.226 1.237 -1.150 1.00 0.00 C ATOM 573 CH2 TRP A 42 1.436 1.430 0.221 1.00 0.00 C ATOM 0 H TRP A 42 -3.234 6.043 -3.369 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.083 4.110 -3.646 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.809 3.357 -2.520 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -2.658 2.201 -3.161 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -3.452 4.174 -0.035 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -1.753 3.629 1.839 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -0.053 1.581 -2.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 0.701 2.271 2.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 1.956 0.688 -1.726 1.00 0.00 H new ATOM 0 HH2 TRP A 42 2.324 1.025 0.683 1.00 0.00 H new ATOM 584 N LEU A 43 -1.995 3.572 -5.891 1.00 0.00 N ATOM 585 CA LEU A 43 -2.451 3.406 -7.267 1.00 0.00 C ATOM 586 C LEU A 43 -2.272 1.963 -7.729 1.00 0.00 C ATOM 587 O LEU A 43 -1.149 1.483 -7.882 1.00 0.00 O ATOM 588 CB LEU A 43 -1.687 4.350 -8.197 1.00 0.00 C ATOM 589 CG LEU A 43 -1.952 5.843 -8.003 1.00 0.00 C ATOM 590 CD1 LEU A 43 -1.002 6.669 -8.856 1.00 0.00 C ATOM 591 CD2 LEU A 43 -3.399 6.176 -8.338 1.00 0.00 C ATOM 0 H LEU A 43 -1.055 3.218 -5.713 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.512 3.651 -7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.620 4.171 -8.067 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.931 4.089 -9.227 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.776 6.091 -6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.206 7.729 -8.705 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.027 6.452 -8.568 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.145 6.418 -9.907 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.569 7.243 -8.194 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.602 5.913 -9.376 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.063 5.611 -7.684 1.00 0.00 H new ATOM 603 N LYS A 44 -3.387 1.276 -7.952 1.00 0.00 N ATOM 604 CA LYS A 44 -3.355 -0.111 -8.400 1.00 0.00 C ATOM 605 C LYS A 44 -3.263 -0.190 -9.920 1.00 0.00 C ATOM 606 O LYS A 44 -4.240 0.063 -10.624 1.00 0.00 O ATOM 607 CB LYS A 44 -4.602 -0.854 -7.915 1.00 0.00 C ATOM 608 CG LYS A 44 -4.460 -2.366 -7.946 1.00 0.00 C ATOM 609 CD LYS A 44 -5.366 -3.033 -6.924 1.00 0.00 C ATOM 610 CE LYS A 44 -5.183 -4.543 -6.918 1.00 0.00 C ATOM 611 NZ LYS A 44 -5.487 -5.133 -5.585 1.00 0.00 N ATOM 0 H LYS A 44 -4.325 1.658 -7.830 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.469 -0.583 -7.975 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.829 -0.540 -6.896 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.451 -0.564 -8.534 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.702 -2.735 -8.943 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.424 -2.639 -7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.152 -2.636 -5.932 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.406 -2.792 -7.146 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.833 -4.991 -7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.158 -4.786 -7.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.191 -6.130 -5.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.973 -4.609 -4.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.509 -5.073 -5.404 1.00 0.00 H new ATOM 625 N GLU A 45 -2.083 -0.543 -10.420 1.00 0.00 N ATOM 626 CA GLU A 45 -1.865 -0.655 -11.857 1.00 0.00 C ATOM 627 C GLU A 45 -2.280 0.628 -12.572 1.00 0.00 C ATOM 628 O GLU A 45 -2.911 0.587 -13.627 1.00 0.00 O ATOM 629 CB GLU A 45 -2.646 -1.842 -12.423 1.00 0.00 C ATOM 630 CG GLU A 45 -2.095 -3.193 -11.996 1.00 0.00 C ATOM 631 CD GLU A 45 -2.976 -4.347 -12.431 1.00 0.00 C ATOM 632 OE1 GLU A 45 -3.897 -4.711 -11.671 1.00 0.00 O ATOM 633 OE2 GLU A 45 -2.745 -4.886 -13.534 1.00 0.00 O ATOM 0 H GLU A 45 -1.264 -0.756 -9.851 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.800 -0.816 -12.025 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.686 -1.766 -12.105 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -2.640 -1.784 -13.511 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.098 -3.324 -12.417 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.988 -3.211 -10.911 1.00 0.00 H new ATOM 640 N GLY A 46 -1.920 1.767 -11.988 1.00 0.00 N ATOM 641 CA GLY A 46 -2.264 3.046 -12.582 1.00 0.00 C ATOM 642 C GLY A 46 -3.742 3.359 -12.468 1.00 0.00 C ATOM 643 O GLY A 46 -4.346 3.890 -13.401 1.00 0.00 O ATOM 0 H GLY A 46 -1.397 1.827 -11.115 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.690 3.835 -12.096 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.976 3.044 -13.633 1.00 0.00 H new ATOM 647 N PHE A 47 -4.329 3.029 -11.322 1.00 0.00 N ATOM 648 CA PHE A 47 -5.748 3.276 -11.091 1.00 0.00 C ATOM 649 C PHE A 47 -6.007 3.625 -9.628 1.00 0.00 C ATOM 650 O PHE A 47 -5.221 3.281 -8.746 1.00 0.00 O ATOM 651 CB PHE A 47 -6.572 2.050 -11.488 1.00 0.00 C ATOM 652 CG PHE A 47 -6.754 1.906 -12.972 1.00 0.00 C ATOM 653 CD1 PHE A 47 -7.665 2.697 -13.653 1.00 0.00 C ATOM 654 CD2 PHE A 47 -6.013 0.978 -13.687 1.00 0.00 C ATOM 655 CE1 PHE A 47 -7.834 2.567 -15.018 1.00 0.00 C ATOM 656 CE2 PHE A 47 -6.178 0.843 -15.053 1.00 0.00 C ATOM 657 CZ PHE A 47 -7.091 1.638 -15.719 1.00 0.00 C ATOM 0 H PHE A 47 -3.844 2.590 -10.539 1.00 0.00 H new ATOM 0 HA PHE A 47 -6.050 4.123 -11.708 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.086 1.154 -11.101 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.552 2.111 -11.014 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.250 3.424 -13.110 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -5.299 0.353 -13.171 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -8.547 3.191 -15.536 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.594 0.117 -15.599 1.00 0.00 H new ATOM 0 HZ PHE A 47 -7.223 1.533 -16.786 1.00 0.00 H new ATOM 667 N THR A 48 -7.118 4.313 -9.378 1.00 0.00 N ATOM 668 CA THR A 48 -7.482 4.711 -8.024 1.00 0.00 C ATOM 669 C THR A 48 -7.549 3.503 -7.096 1.00 0.00 C ATOM 670 O THR A 48 -7.989 2.425 -7.494 1.00 0.00 O ATOM 671 CB THR A 48 -8.838 5.440 -7.998 1.00 0.00 C ATOM 672 OG1 THR A 48 -9.300 5.567 -6.649 1.00 0.00 O ATOM 673 CG2 THR A 48 -9.871 4.690 -8.825 1.00 0.00 C ATOM 0 H THR A 48 -7.781 4.606 -10.096 1.00 0.00 H new ATOM 0 HA THR A 48 -6.706 5.392 -7.675 1.00 0.00 H new ATOM 0 HB THR A 48 -8.701 6.432 -8.429 1.00 0.00 H new ATOM 0 HG1 THR A 48 -10.162 6.033 -6.641 1.00 0.00 H new ATOM 0 HG21 THR A 48 -10.821 5.224 -8.792 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.530 4.621 -9.858 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.004 3.687 -8.419 1.00 0.00 H new ATOM 681 N PHE A 49 -7.109 3.692 -5.856 1.00 0.00 N ATOM 682 CA PHE A 49 -7.119 2.617 -4.870 1.00 0.00 C ATOM 683 C PHE A 49 -6.680 3.130 -3.502 1.00 0.00 C ATOM 684 O PHE A 49 -5.735 3.910 -3.377 1.00 0.00 O ATOM 685 CB PHE A 49 -6.203 1.476 -5.318 1.00 0.00 C ATOM 686 CG PHE A 49 -6.444 0.190 -4.582 1.00 0.00 C ATOM 687 CD1 PHE A 49 -5.860 -0.036 -3.346 1.00 0.00 C ATOM 688 CD2 PHE A 49 -7.255 -0.794 -5.125 1.00 0.00 C ATOM 689 CE1 PHE A 49 -6.079 -1.220 -2.667 1.00 0.00 C ATOM 690 CE2 PHE A 49 -7.478 -1.979 -4.450 1.00 0.00 C ATOM 691 CZ PHE A 49 -6.890 -2.192 -3.219 1.00 0.00 C ATOM 0 H PHE A 49 -6.741 4.578 -5.510 1.00 0.00 H new ATOM 0 HA PHE A 49 -8.139 2.243 -4.788 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -6.343 1.306 -6.386 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.165 1.777 -5.177 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.227 0.721 -2.908 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.718 -0.633 -6.087 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.616 -1.385 -1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -8.112 -2.738 -4.885 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.064 -3.117 -2.689 1.00 0.00 H new ATOM 701 N PRO A 50 -7.381 2.683 -2.449 1.00 0.00 N ATOM 702 CA PRO A 50 -8.508 1.756 -2.585 1.00 0.00 C ATOM 703 C PRO A 50 -9.720 2.408 -3.241 1.00 0.00 C ATOM 704 O PRO A 50 -10.734 1.755 -3.483 1.00 0.00 O ATOM 705 CB PRO A 50 -8.825 1.369 -1.139 1.00 0.00 C ATOM 706 CG PRO A 50 -8.334 2.515 -0.324 1.00 0.00 C ATOM 707 CD PRO A 50 -7.128 3.050 -1.046 1.00 0.00 C ATOM 0 HA PRO A 50 -8.263 0.907 -3.224 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.894 1.211 -0.997 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -8.326 0.441 -0.859 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.102 3.282 -0.226 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -8.074 2.194 0.685 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.032 4.129 -0.924 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -6.206 2.604 -0.674 1.00 0.00 H new ATOM 715 N GLY A 51 -9.608 3.702 -3.525 1.00 0.00 N ATOM 716 CA GLY A 51 -10.703 4.422 -4.151 1.00 0.00 C ATOM 717 C GLY A 51 -11.928 4.499 -3.262 1.00 0.00 C ATOM 718 O GLY A 51 -11.893 5.117 -2.197 1.00 0.00 O ATOM 0 H GLY A 51 -8.779 4.265 -3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.375 5.431 -4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.968 3.932 -5.088 1.00 0.00 H new ATOM 772 N ARG A 55 -14.168 -2.672 2.011 1.00 0.00 N ATOM 773 CA ARG A 55 -13.200 -3.619 2.552 1.00 0.00 C ATOM 774 C ARG A 55 -11.822 -2.976 2.678 1.00 0.00 C ATOM 775 O ARG A 55 -11.225 -2.971 3.754 1.00 0.00 O ATOM 776 CB ARG A 55 -13.116 -4.859 1.660 1.00 0.00 C ATOM 777 CG ARG A 55 -14.442 -5.584 1.498 1.00 0.00 C ATOM 778 CD ARG A 55 -14.254 -6.953 0.863 1.00 0.00 C ATOM 779 NE ARG A 55 -13.833 -6.857 -0.532 1.00 0.00 N ATOM 780 CZ ARG A 55 -14.023 -7.821 -1.426 1.00 0.00 C ATOM 781 NH1 ARG A 55 -14.626 -8.947 -1.072 1.00 0.00 N ATOM 782 NH2 ARG A 55 -13.611 -7.658 -2.676 1.00 0.00 N ATOM 0 HA ARG A 55 -13.535 -3.916 3.546 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.750 -4.564 0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.383 -5.549 2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -14.918 -5.696 2.472 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -15.113 -4.985 0.882 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.511 -7.515 1.428 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -15.188 -7.511 0.922 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.367 -6.002 -0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.945 -9.075 -0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.771 -9.686 -1.760 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.148 -6.792 -2.951 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.757 -8.399 -3.362 1.00 0.00 H new ATOM 796 N ALA A 56 -11.324 -2.434 1.572 1.00 0.00 N ATOM 797 CA ALA A 56 -10.018 -1.787 1.559 1.00 0.00 C ATOM 798 C ALA A 56 -10.051 -0.470 2.328 1.00 0.00 C ATOM 799 O ALA A 56 -11.024 0.281 2.254 1.00 0.00 O ATOM 800 CB ALA A 56 -9.558 -1.554 0.128 1.00 0.00 C ATOM 0 H ALA A 56 -11.805 -2.430 0.673 1.00 0.00 H new ATOM 0 HA ALA A 56 -9.307 -2.449 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.581 -1.070 0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.486 -2.510 -0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.276 -0.915 -0.386 1.00 0.00 H new ATOM 806 N THR A 57 -8.980 -0.194 3.066 1.00 0.00 N ATOM 807 CA THR A 57 -8.887 1.031 3.850 1.00 0.00 C ATOM 808 C THR A 57 -7.433 1.396 4.128 1.00 0.00 C ATOM 809 O THR A 57 -6.533 0.576 3.951 1.00 0.00 O ATOM 810 CB THR A 57 -9.637 0.900 5.188 1.00 0.00 C ATOM 811 OG1 THR A 57 -9.697 2.173 5.843 1.00 0.00 O ATOM 812 CG2 THR A 57 -8.952 -0.110 6.096 1.00 0.00 C ATOM 0 H THR A 57 -8.165 -0.803 3.137 1.00 0.00 H new ATOM 0 HA THR A 57 -9.350 1.821 3.259 1.00 0.00 H new ATOM 0 HB THR A 57 -10.648 0.551 4.979 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.177 2.082 6.692 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.500 -0.185 7.035 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.933 -1.084 5.608 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.931 0.215 6.297 1.00 0.00 H new ATOM 820 N ILE A 58 -7.212 2.631 4.566 1.00 0.00 N ATOM 821 CA ILE A 58 -5.867 3.104 4.871 1.00 0.00 C ATOM 822 C ILE A 58 -5.785 3.650 6.292 1.00 0.00 C ATOM 823 O ILE A 58 -6.371 4.687 6.603 1.00 0.00 O ATOM 824 CB ILE A 58 -5.418 4.199 3.885 1.00 0.00 C ATOM 825 CG1 ILE A 58 -5.448 3.668 2.450 1.00 0.00 C ATOM 826 CG2 ILE A 58 -4.025 4.695 4.243 1.00 0.00 C ATOM 827 CD1 ILE A 58 -5.705 4.740 1.415 1.00 0.00 C ATOM 0 H ILE A 58 -7.947 3.322 4.718 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.202 2.246 4.776 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.111 5.038 3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.497 3.183 2.231 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.221 2.904 2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.722 5.468 3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.034 5.108 5.252 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.320 3.865 4.197 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.713 4.292 0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.669 5.209 1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.918 5.493 1.468 1.00 0.00 H new ATOM 888 N GLY A 62 -0.741 5.370 6.905 1.00 0.00 N ATOM 889 CA GLY A 62 -0.817 5.009 5.502 1.00 0.00 C ATOM 890 C GLY A 62 -0.637 3.521 5.275 1.00 0.00 C ATOM 891 O GLY A 62 -0.007 3.104 4.303 1.00 0.00 O ATOM 0 HA2 GLY A 62 -1.782 5.320 5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -0.052 5.553 4.948 1.00 0.00 H new ATOM 895 N THR A 63 -1.190 2.716 6.177 1.00 0.00 N ATOM 896 CA THR A 63 -1.086 1.266 6.073 1.00 0.00 C ATOM 897 C THR A 63 -2.242 0.688 5.265 1.00 0.00 C ATOM 898 O THR A 63 -3.317 0.419 5.804 1.00 0.00 O ATOM 899 CB THR A 63 -1.064 0.603 7.464 1.00 0.00 C ATOM 900 OG1 THR A 63 -0.212 1.342 8.346 1.00 0.00 O ATOM 901 CG2 THR A 63 -0.581 -0.836 7.370 1.00 0.00 C ATOM 0 H THR A 63 -1.715 3.044 6.988 1.00 0.00 H new ATOM 0 HA THR A 63 -0.147 1.052 5.562 1.00 0.00 H new ATOM 0 HB THR A 63 -2.080 0.603 7.858 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.205 0.915 9.228 1.00 0.00 H new ATOM 0 HG21 THR A 63 -0.574 -1.283 8.364 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.250 -1.403 6.722 1.00 0.00 H new ATOM 0 HG23 THR A 63 0.427 -0.855 6.956 1.00 0.00 H new ATOM 909 N LEU A 64 -2.015 0.498 3.970 1.00 0.00 N ATOM 910 CA LEU A 64 -3.039 -0.050 3.087 1.00 0.00 C ATOM 911 C LEU A 64 -3.433 -1.459 3.517 1.00 0.00 C ATOM 912 O LEU A 64 -2.796 -2.437 3.128 1.00 0.00 O ATOM 913 CB LEU A 64 -2.537 -0.067 1.642 1.00 0.00 C ATOM 914 CG LEU A 64 -3.608 0.053 0.558 1.00 0.00 C ATOM 915 CD1 LEU A 64 -3.004 -0.180 -0.818 1.00 0.00 C ATOM 916 CD2 LEU A 64 -4.743 -0.928 0.817 1.00 0.00 C ATOM 0 H LEU A 64 -1.132 0.715 3.508 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.920 0.589 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -1.827 0.751 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.987 -0.994 1.480 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.015 1.064 0.587 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.782 -0.091 -1.577 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -2.228 0.562 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -2.569 -1.179 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.496 -0.828 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.352 -1.945 0.816 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.195 -0.714 1.785 1.00 0.00 H new ATOM 928 N GLN A 65 -4.487 -1.554 4.321 1.00 0.00 N ATOM 929 CA GLN A 65 -4.966 -2.844 4.803 1.00 0.00 C ATOM 930 C GLN A 65 -6.156 -3.325 3.979 1.00 0.00 C ATOM 931 O GLN A 65 -7.187 -2.656 3.912 1.00 0.00 O ATOM 932 CB GLN A 65 -5.358 -2.747 6.278 1.00 0.00 C ATOM 933 CG GLN A 65 -5.948 -4.032 6.837 1.00 0.00 C ATOM 934 CD GLN A 65 -6.357 -3.904 8.291 1.00 0.00 C ATOM 935 OE1 GLN A 65 -5.679 -3.247 9.082 1.00 0.00 O ATOM 936 NE2 GLN A 65 -7.470 -4.532 8.651 1.00 0.00 N ATOM 0 H GLN A 65 -5.025 -0.753 4.652 1.00 0.00 H new ATOM 0 HA GLN A 65 -4.157 -3.567 4.696 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -4.478 -2.477 6.862 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -6.082 -1.941 6.401 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.817 -4.317 6.243 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -5.218 -4.835 6.739 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.000 -5.065 7.962 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -7.795 -4.481 9.617 1.00 0.00 H new ATOM 945 N ILE A 66 -6.004 -4.488 3.354 1.00 0.00 N ATOM 946 CA ILE A 66 -7.067 -5.058 2.535 1.00 0.00 C ATOM 947 C ILE A 66 -7.499 -6.421 3.065 1.00 0.00 C ATOM 948 O ILE A 66 -6.734 -7.385 3.028 1.00 0.00 O ATOM 949 CB ILE A 66 -6.627 -5.208 1.066 1.00 0.00 C ATOM 950 CG1 ILE A 66 -6.025 -3.897 0.555 1.00 0.00 C ATOM 951 CG2 ILE A 66 -7.805 -5.629 0.201 1.00 0.00 C ATOM 952 CD1 ILE A 66 -4.986 -4.090 -0.527 1.00 0.00 C ATOM 0 H ILE A 66 -5.156 -5.053 3.399 1.00 0.00 H new ATOM 0 HA ILE A 66 -7.909 -4.367 2.586 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.863 -5.984 1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.825 -3.265 0.170 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.572 -3.364 1.391 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -7.478 -5.731 -0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.193 -6.584 0.555 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.589 -4.874 0.261 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.603 -3.119 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -4.166 -4.696 -0.140 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.439 -4.595 -1.380 1.00 0.00 H new ATOM 964 N LYS A 67 -8.730 -6.494 3.558 1.00 0.00 N ATOM 965 CA LYS A 67 -9.267 -7.739 4.094 1.00 0.00 C ATOM 966 C LYS A 67 -9.971 -8.542 3.005 1.00 0.00 C ATOM 967 O LYS A 67 -10.416 -7.987 2.001 1.00 0.00 O ATOM 968 CB LYS A 67 -10.242 -7.448 5.238 1.00 0.00 C ATOM 969 CG LYS A 67 -9.619 -6.670 6.385 1.00 0.00 C ATOM 970 CD LYS A 67 -10.519 -6.665 7.609 1.00 0.00 C ATOM 971 CE LYS A 67 -10.297 -7.900 8.468 1.00 0.00 C ATOM 972 NZ LYS A 67 -11.187 -9.024 8.065 1.00 0.00 N ATOM 0 H LYS A 67 -9.375 -5.705 3.598 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.434 -8.329 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.090 -6.886 4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.633 -8.391 5.620 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.655 -7.109 6.643 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.428 -5.645 6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.326 -5.770 8.200 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.562 -6.621 7.295 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.256 -8.215 8.389 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.477 -7.652 9.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.412 -9.604 8.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.066 -8.643 7.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -10.705 -9.611 7.354 1.00 0.00 H new ATOM 986 N ASN A 68 -10.070 -9.851 3.211 1.00 0.00 N ATOM 987 CA ASN A 68 -10.720 -10.730 2.246 1.00 0.00 C ATOM 988 C ASN A 68 -9.988 -10.706 0.908 1.00 0.00 C ATOM 989 O ASN A 68 -10.607 -10.571 -0.148 1.00 0.00 O ATOM 990 CB ASN A 68 -12.180 -10.314 2.050 1.00 0.00 C ATOM 991 CG ASN A 68 -13.024 -10.566 3.284 1.00 0.00 C ATOM 992 OD1 ASN A 68 -12.803 -9.771 4.324 1.00 0.00 O flip ATOM 993 ND2 ASN A 68 -13.866 -11.464 3.300 1.00 0.00 N flip ATOM 0 H ASN A 68 -9.708 -10.327 4.038 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.688 -11.747 2.638 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -12.222 -9.255 1.795 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.601 -10.862 1.207 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -14.001 -12.051 2.477 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -14.428 -11.621 4.136 1.00 0.00 H new ATOM 1000 N LEU A 69 -8.668 -10.839 0.960 1.00 0.00 N ATOM 1001 CA LEU A 69 -7.850 -10.834 -0.248 1.00 0.00 C ATOM 1002 C LEU A 69 -8.360 -11.858 -1.256 1.00 0.00 C ATOM 1003 O LEU A 69 -9.069 -12.798 -0.896 1.00 0.00 O ATOM 1004 CB LEU A 69 -6.389 -11.128 0.100 1.00 0.00 C ATOM 1005 CG LEU A 69 -5.724 -10.159 1.078 1.00 0.00 C ATOM 1006 CD1 LEU A 69 -4.340 -10.658 1.465 1.00 0.00 C ATOM 1007 CD2 LEU A 69 -5.640 -8.765 0.473 1.00 0.00 C ATOM 0 H LEU A 69 -8.141 -10.952 1.826 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.918 -9.844 -0.698 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.331 -12.133 0.519 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.811 -11.134 -0.824 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.334 -10.106 1.980 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.882 -9.956 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.425 -11.636 1.939 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.720 -10.740 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.164 -8.088 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.052 -8.801 -0.444 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.644 -8.406 0.246 1.00 0.00 H new ATOM 1019 N ARG A 70 -7.995 -11.670 -2.520 1.00 0.00 N ATOM 1020 CA ARG A 70 -8.415 -12.578 -3.580 1.00 0.00 C ATOM 1021 C ARG A 70 -7.329 -12.712 -4.643 1.00 0.00 C ATOM 1022 O ARG A 70 -6.679 -11.732 -5.007 1.00 0.00 O ATOM 1023 CB ARG A 70 -9.713 -12.082 -4.220 1.00 0.00 C ATOM 1024 CG ARG A 70 -10.943 -12.307 -3.357 1.00 0.00 C ATOM 1025 CD ARG A 70 -12.198 -12.454 -4.203 1.00 0.00 C ATOM 1026 NE ARG A 70 -12.195 -13.693 -4.976 1.00 0.00 N ATOM 1027 CZ ARG A 70 -12.903 -13.868 -6.086 1.00 0.00 C ATOM 1028 NH1 ARG A 70 -13.666 -12.889 -6.552 1.00 0.00 N ATOM 1029 NH2 ARG A 70 -12.848 -15.025 -6.734 1.00 0.00 N ATOM 0 H ARG A 70 -7.409 -10.897 -2.835 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.588 -13.559 -3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -9.619 -11.017 -4.433 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -9.853 -12.587 -5.176 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -10.805 -13.202 -2.751 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -11.063 -11.471 -2.668 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.075 -12.432 -3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.280 -11.604 -4.881 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.618 -14.466 -4.645 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -13.711 -11.998 -6.058 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.208 -13.027 -7.405 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.262 -15.781 -6.380 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -13.392 -15.159 -7.586 1.00 0.00 H new ATOM 1043 N ILE A 71 -7.139 -13.931 -5.137 1.00 0.00 N ATOM 1044 CA ILE A 71 -6.133 -14.192 -6.158 1.00 0.00 C ATOM 1045 C ILE A 71 -6.066 -13.052 -7.169 1.00 0.00 C ATOM 1046 O ILE A 71 -5.025 -12.812 -7.781 1.00 0.00 O ATOM 1047 CB ILE A 71 -6.417 -15.509 -6.905 1.00 0.00 C ATOM 1048 CG1 ILE A 71 -6.582 -16.660 -5.910 1.00 0.00 C ATOM 1049 CG2 ILE A 71 -5.299 -15.811 -7.892 1.00 0.00 C ATOM 1050 CD1 ILE A 71 -5.413 -16.809 -4.961 1.00 0.00 C ATOM 0 H ILE A 71 -7.669 -14.753 -4.846 1.00 0.00 H new ATOM 0 HA ILE A 71 -5.176 -14.275 -5.643 1.00 0.00 H new ATOM 0 HB ILE A 71 -7.347 -15.399 -7.463 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.492 -16.502 -5.331 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -6.713 -17.591 -6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -5.515 -16.745 -8.412 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.225 -15.001 -8.617 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -4.355 -15.904 -7.355 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.598 -17.643 -4.284 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -4.503 -16.998 -5.531 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.295 -15.893 -4.383 1.00 0.00 H new ATOM 1062 N SER A 72 -7.183 -12.352 -7.337 1.00 0.00 N ATOM 1063 CA SER A 72 -7.252 -11.237 -8.275 1.00 0.00 C ATOM 1064 C SER A 72 -6.519 -10.018 -7.725 1.00 0.00 C ATOM 1065 O SER A 72 -5.776 -9.350 -8.444 1.00 0.00 O ATOM 1066 CB SER A 72 -8.711 -10.880 -8.568 1.00 0.00 C ATOM 1067 OG SER A 72 -8.812 -10.044 -9.708 1.00 0.00 O ATOM 0 H SER A 72 -8.052 -12.537 -6.836 1.00 0.00 H new ATOM 0 HA SER A 72 -6.767 -11.543 -9.202 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.286 -11.792 -8.729 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.146 -10.377 -7.704 1.00 0.00 H new ATOM 0 HG SER A 72 -9.754 -9.831 -9.875 1.00 0.00 H new ATOM 1073 N ASP A 73 -6.733 -9.734 -6.445 1.00 0.00 N ATOM 1074 CA ASP A 73 -6.093 -8.596 -5.796 1.00 0.00 C ATOM 1075 C ASP A 73 -4.676 -8.396 -6.325 1.00 0.00 C ATOM 1076 O ASP A 73 -4.211 -7.266 -6.477 1.00 0.00 O ATOM 1077 CB ASP A 73 -6.062 -8.797 -4.280 1.00 0.00 C ATOM 1078 CG ASP A 73 -7.418 -8.580 -3.640 1.00 0.00 C ATOM 1079 OD1 ASP A 73 -8.432 -8.989 -4.244 1.00 0.00 O ATOM 1080 OD2 ASP A 73 -7.467 -8.002 -2.534 1.00 0.00 O ATOM 0 H ASP A 73 -7.345 -10.277 -5.836 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.676 -7.704 -6.024 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.716 -9.806 -4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.341 -8.108 -3.840 1.00 0.00 H new ATOM 1085 N THR A 74 -3.991 -9.502 -6.601 1.00 0.00 N ATOM 1086 CA THR A 74 -2.627 -9.449 -7.110 1.00 0.00 C ATOM 1087 C THR A 74 -2.433 -8.258 -8.041 1.00 0.00 C ATOM 1088 O THR A 74 -3.254 -8.006 -8.922 1.00 0.00 O ATOM 1089 CB THR A 74 -2.258 -10.740 -7.864 1.00 0.00 C ATOM 1090 OG1 THR A 74 -2.373 -11.868 -6.989 1.00 0.00 O ATOM 1091 CG2 THR A 74 -0.841 -10.660 -8.413 1.00 0.00 C ATOM 0 H THR A 74 -4.360 -10.445 -6.480 1.00 0.00 H new ATOM 0 HA THR A 74 -1.972 -9.342 -6.246 1.00 0.00 H new ATOM 0 HB THR A 74 -2.948 -10.857 -8.699 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.237 -12.308 -7.134 1.00 0.00 H new ATOM 0 HG21 THR A 74 -0.603 -11.583 -8.941 1.00 0.00 H new ATOM 0 HG22 THR A 74 -0.764 -9.818 -9.101 1.00 0.00 H new ATOM 0 HG23 THR A 74 -0.139 -10.522 -7.590 1.00 0.00 H new ATOM 1099 N GLY A 75 -1.341 -7.526 -7.840 1.00 0.00 N ATOM 1100 CA GLY A 75 -1.059 -6.370 -8.671 1.00 0.00 C ATOM 1101 C GLY A 75 0.098 -5.545 -8.143 1.00 0.00 C ATOM 1102 O GLY A 75 0.634 -5.827 -7.070 1.00 0.00 O ATOM 0 H GLY A 75 -0.647 -7.713 -7.116 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.832 -6.701 -9.684 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.949 -5.744 -8.732 1.00 0.00 H new ATOM 1106 N THR A 76 0.487 -4.523 -8.898 1.00 0.00 N ATOM 1107 CA THR A 76 1.590 -3.656 -8.502 1.00 0.00 C ATOM 1108 C THR A 76 1.077 -2.376 -7.852 1.00 0.00 C ATOM 1109 O THR A 76 0.483 -1.526 -8.517 1.00 0.00 O ATOM 1110 CB THR A 76 2.476 -3.288 -9.707 1.00 0.00 C ATOM 1111 OG1 THR A 76 2.925 -4.477 -10.366 1.00 0.00 O ATOM 1112 CG2 THR A 76 3.676 -2.464 -9.264 1.00 0.00 C ATOM 0 H THR A 76 0.054 -4.275 -9.788 1.00 0.00 H new ATOM 0 HA THR A 76 2.186 -4.213 -7.779 1.00 0.00 H new ATOM 0 HB THR A 76 1.881 -2.692 -10.399 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.486 -4.234 -11.132 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.287 -2.216 -10.132 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.331 -1.546 -8.788 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.270 -3.039 -8.554 1.00 0.00 H new ATOM 1120 N TYR A 77 1.311 -2.243 -6.551 1.00 0.00 N ATOM 1121 CA TYR A 77 0.871 -1.066 -5.812 1.00 0.00 C ATOM 1122 C TYR A 77 1.895 0.059 -5.919 1.00 0.00 C ATOM 1123 O TYR A 77 3.097 -0.186 -6.024 1.00 0.00 O ATOM 1124 CB TYR A 77 0.637 -1.420 -4.342 1.00 0.00 C ATOM 1125 CG TYR A 77 -0.559 -2.317 -4.118 1.00 0.00 C ATOM 1126 CD1 TYR A 77 -1.853 -1.840 -4.292 1.00 0.00 C ATOM 1127 CD2 TYR A 77 -0.397 -3.641 -3.732 1.00 0.00 C ATOM 1128 CE1 TYR A 77 -2.949 -2.655 -4.088 1.00 0.00 C ATOM 1129 CE2 TYR A 77 -1.487 -4.465 -3.527 1.00 0.00 C ATOM 1130 CZ TYR A 77 -2.761 -3.967 -3.706 1.00 0.00 C ATOM 1131 OH TYR A 77 -3.849 -4.784 -3.502 1.00 0.00 O ATOM 0 H TYR A 77 1.803 -2.936 -5.987 1.00 0.00 H new ATOM 0 HA TYR A 77 -0.066 -0.722 -6.250 1.00 0.00 H new ATOM 0 HB2 TYR A 77 1.527 -1.911 -3.949 1.00 0.00 H new ATOM 0 HB3 TYR A 77 0.503 -0.500 -3.773 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -2.004 -0.814 -4.592 1.00 0.00 H new ATOM 0 HD2 TYR A 77 0.599 -4.034 -3.589 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -3.947 -2.267 -4.227 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -1.342 -5.493 -3.228 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.543 -5.677 -3.238 1.00 0.00 H new ATOM 1141 N THR A 78 1.410 1.297 -5.891 1.00 0.00 N ATOM 1142 CA THR A 78 2.282 2.461 -5.985 1.00 0.00 C ATOM 1143 C THR A 78 1.837 3.560 -5.026 1.00 0.00 C ATOM 1144 O THR A 78 0.843 4.245 -5.269 1.00 0.00 O ATOM 1145 CB THR A 78 2.311 3.027 -7.417 1.00 0.00 C ATOM 1146 OG1 THR A 78 2.779 2.027 -8.329 1.00 0.00 O ATOM 1147 CG2 THR A 78 3.208 4.253 -7.497 1.00 0.00 C ATOM 0 H THR A 78 0.418 1.519 -5.804 1.00 0.00 H new ATOM 0 HA THR A 78 3.284 2.128 -5.713 1.00 0.00 H new ATOM 0 HB THR A 78 1.297 3.321 -7.689 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.793 2.394 -9.238 1.00 0.00 H new ATOM 0 HG21 THR A 78 3.212 4.635 -8.518 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.832 5.023 -6.823 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.223 3.981 -7.207 1.00 0.00 H new ATOM 1155 N CYS A 79 2.579 3.724 -3.936 1.00 0.00 N ATOM 1156 CA CYS A 79 2.262 4.740 -2.940 1.00 0.00 C ATOM 1157 C CYS A 79 2.833 6.096 -3.345 1.00 0.00 C ATOM 1158 O CYS A 79 4.048 6.263 -3.451 1.00 0.00 O ATOM 1159 CB CYS A 79 2.810 4.331 -1.571 1.00 0.00 C ATOM 1160 SG CYS A 79 2.401 5.493 -0.229 1.00 0.00 S ATOM 0 H CYS A 79 3.405 3.166 -3.720 1.00 0.00 H new ATOM 0 HA CYS A 79 1.177 4.826 -2.878 1.00 0.00 H new ATOM 0 HB2 CYS A 79 2.420 3.346 -1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.894 4.238 -1.639 1.00 0.00 H new ATOM 1165 N VAL A 80 1.947 7.061 -3.569 1.00 0.00 N ATOM 1166 CA VAL A 80 2.362 8.403 -3.961 1.00 0.00 C ATOM 1167 C VAL A 80 2.157 9.396 -2.822 1.00 0.00 C ATOM 1168 O VAL A 80 1.048 9.551 -2.312 1.00 0.00 O ATOM 1169 CB VAL A 80 1.587 8.891 -5.199 1.00 0.00 C ATOM 1170 CG1 VAL A 80 2.112 10.243 -5.659 1.00 0.00 C ATOM 1171 CG2 VAL A 80 1.674 7.866 -6.320 1.00 0.00 C ATOM 0 H VAL A 80 0.938 6.939 -3.486 1.00 0.00 H new ATOM 0 HA VAL A 80 3.423 8.348 -4.205 1.00 0.00 H new ATOM 0 HB VAL A 80 0.538 9.009 -4.927 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.552 10.572 -6.535 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.992 10.972 -4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.168 10.155 -5.915 1.00 0.00 H new ATOM 0 HG21 VAL A 80 1.121 8.227 -7.187 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.718 7.714 -6.593 1.00 0.00 H new ATOM 0 HG23 VAL A 80 1.246 6.922 -5.984 1.00 0.00 H new ATOM 1181 N ALA A 81 3.234 10.067 -2.429 1.00 0.00 N ATOM 1182 CA ALA A 81 3.172 11.048 -1.352 1.00 0.00 C ATOM 1183 C ALA A 81 3.361 12.464 -1.887 1.00 0.00 C ATOM 1184 O ALA A 81 4.484 12.898 -2.143 1.00 0.00 O ATOM 1185 CB ALA A 81 4.221 10.737 -0.294 1.00 0.00 C ATOM 0 H ALA A 81 4.160 9.950 -2.840 1.00 0.00 H new ATOM 0 HA ALA A 81 2.183 10.989 -0.897 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.163 11.477 0.504 1.00 0.00 H new ATOM 0 HB2 ALA A 81 4.039 9.744 0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.213 10.766 -0.745 1.00 0.00 H new ATOM 1191 N THR A 82 2.253 13.180 -2.055 1.00 0.00 N ATOM 1192 CA THR A 82 2.296 14.546 -2.561 1.00 0.00 C ATOM 1193 C THR A 82 2.330 15.555 -1.419 1.00 0.00 C ATOM 1194 O THR A 82 1.814 15.294 -0.332 1.00 0.00 O ATOM 1195 CB THR A 82 1.085 14.849 -3.463 1.00 0.00 C ATOM 1196 OG1 THR A 82 0.846 13.749 -4.348 1.00 0.00 O ATOM 1197 CG2 THR A 82 1.317 16.116 -4.273 1.00 0.00 C ATOM 0 H THR A 82 1.315 12.836 -1.848 1.00 0.00 H new ATOM 0 HA THR A 82 3.209 14.637 -3.149 1.00 0.00 H new ATOM 0 HB THR A 82 0.214 14.998 -2.825 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.073 13.949 -4.917 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.448 16.310 -4.902 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.470 16.957 -3.597 1.00 0.00 H new ATOM 0 HG23 THR A 82 2.199 15.990 -4.901 1.00 0.00 H new ATOM 1205 N SER A 83 2.940 16.708 -1.672 1.00 0.00 N ATOM 1206 CA SER A 83 3.044 17.756 -0.663 1.00 0.00 C ATOM 1207 C SER A 83 3.677 19.014 -1.250 1.00 0.00 C ATOM 1208 O SER A 83 4.450 18.946 -2.205 1.00 0.00 O ATOM 1209 CB SER A 83 3.867 17.266 0.529 1.00 0.00 C ATOM 1210 OG SER A 83 5.241 17.171 0.196 1.00 0.00 O ATOM 0 H SER A 83 3.370 16.941 -2.567 1.00 0.00 H new ATOM 0 HA SER A 83 2.037 18.001 -0.324 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.740 17.950 1.368 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.500 16.292 0.853 1.00 0.00 H new ATOM 0 HG SER A 83 5.746 16.857 0.975 1.00 0.00 H new ATOM 1216 N SER A 84 3.342 20.163 -0.669 1.00 0.00 N ATOM 1217 CA SER A 84 3.874 21.438 -1.136 1.00 0.00 C ATOM 1218 C SER A 84 5.378 21.344 -1.376 1.00 0.00 C ATOM 1219 O SER A 84 5.924 22.033 -2.237 1.00 0.00 O ATOM 1220 CB SER A 84 3.577 22.541 -0.119 1.00 0.00 C ATOM 1221 OG SER A 84 4.240 23.745 -0.464 1.00 0.00 O ATOM 0 H SER A 84 2.706 20.236 0.125 1.00 0.00 H new ATOM 0 HA SER A 84 3.387 21.683 -2.080 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.502 22.715 -0.070 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.893 22.220 0.873 1.00 0.00 H new ATOM 0 HG SER A 84 4.033 24.435 0.201 1.00 0.00 H new ATOM 1227 N SER A 85 6.041 20.486 -0.608 1.00 0.00 N ATOM 1228 CA SER A 85 7.482 20.303 -0.734 1.00 0.00 C ATOM 1229 C SER A 85 7.838 19.708 -2.093 1.00 0.00 C ATOM 1230 O SER A 85 8.642 20.268 -2.837 1.00 0.00 O ATOM 1231 CB SER A 85 8.002 19.397 0.384 1.00 0.00 C ATOM 1232 OG SER A 85 7.766 19.972 1.658 1.00 0.00 O ATOM 0 H SER A 85 5.603 19.906 0.108 1.00 0.00 H new ATOM 0 HA SER A 85 7.956 21.281 -0.650 1.00 0.00 H new ATOM 0 HB2 SER A 85 7.514 18.424 0.325 1.00 0.00 H new ATOM 0 HB3 SER A 85 9.070 19.226 0.251 1.00 0.00 H new ATOM 0 HG SER A 85 6.820 19.869 1.893 1.00 0.00 H new ATOM 1238 N GLY A 86 7.233 18.567 -2.409 1.00 0.00 N ATOM 1239 CA GLY A 86 7.498 17.914 -3.678 1.00 0.00 C ATOM 1240 C GLY A 86 6.557 16.755 -3.941 1.00 0.00 C ATOM 1241 O GLY A 86 5.340 16.896 -3.821 1.00 0.00 O ATOM 0 H GLY A 86 6.564 18.083 -1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.407 18.642 -4.484 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.526 17.553 -3.690 1.00 0.00 H new ATOM 1245 N GLU A 87 7.121 15.607 -4.301 1.00 0.00 N ATOM 1246 CA GLU A 87 6.322 14.420 -4.585 1.00 0.00 C ATOM 1247 C GLU A 87 7.217 13.211 -4.846 1.00 0.00 C ATOM 1248 O GLU A 87 8.270 13.327 -5.473 1.00 0.00 O ATOM 1249 CB GLU A 87 5.414 14.665 -5.791 1.00 0.00 C ATOM 1250 CG GLU A 87 4.557 13.467 -6.162 1.00 0.00 C ATOM 1251 CD GLU A 87 4.040 13.536 -7.586 1.00 0.00 C ATOM 1252 OE1 GLU A 87 3.640 14.637 -8.019 1.00 0.00 O ATOM 1253 OE2 GLU A 87 4.037 12.489 -8.267 1.00 0.00 O ATOM 0 H GLU A 87 8.127 15.473 -4.403 1.00 0.00 H new ATOM 0 HA GLU A 87 5.705 14.212 -3.711 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.764 15.514 -5.579 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.029 14.940 -6.648 1.00 0.00 H new ATOM 0 HG2 GLU A 87 5.140 12.555 -6.035 1.00 0.00 H new ATOM 0 HG3 GLU A 87 3.712 13.403 -5.476 1.00 0.00 H new ATOM 1260 N THR A 88 6.791 12.050 -4.358 1.00 0.00 N ATOM 1261 CA THR A 88 7.552 10.821 -4.536 1.00 0.00 C ATOM 1262 C THR A 88 6.628 9.630 -4.763 1.00 0.00 C ATOM 1263 O THR A 88 5.414 9.731 -4.588 1.00 0.00 O ATOM 1264 CB THR A 88 8.450 10.535 -3.318 1.00 0.00 C ATOM 1265 OG1 THR A 88 9.290 9.406 -3.582 1.00 0.00 O ATOM 1266 CG2 THR A 88 7.611 10.269 -2.077 1.00 0.00 C ATOM 0 H THR A 88 5.922 11.936 -3.836 1.00 0.00 H new ATOM 0 HA THR A 88 8.180 10.963 -5.416 1.00 0.00 H new ATOM 0 HB THR A 88 9.069 11.414 -3.138 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.859 9.232 -2.803 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.267 10.070 -1.230 1.00 0.00 H new ATOM 0 HG22 THR A 88 6.994 11.141 -1.861 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.969 9.405 -2.250 1.00 0.00 H new ATOM 1274 N SER A 89 7.211 8.500 -5.153 1.00 0.00 N ATOM 1275 CA SER A 89 6.439 7.290 -5.407 1.00 0.00 C ATOM 1276 C SER A 89 7.273 6.044 -5.123 1.00 0.00 C ATOM 1277 O SER A 89 8.482 6.028 -5.352 1.00 0.00 O ATOM 1278 CB SER A 89 5.945 7.269 -6.854 1.00 0.00 C ATOM 1279 OG SER A 89 7.032 7.247 -7.764 1.00 0.00 O ATOM 0 H SER A 89 8.215 8.398 -5.300 1.00 0.00 H new ATOM 0 HA SER A 89 5.579 7.290 -4.738 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.315 6.394 -7.014 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.326 8.146 -7.043 1.00 0.00 H new ATOM 0 HG SER A 89 6.690 7.232 -8.682 1.00 0.00 H new ATOM 1285 N TRP A 90 6.618 5.002 -4.624 1.00 0.00 N ATOM 1286 CA TRP A 90 7.298 3.751 -4.309 1.00 0.00 C ATOM 1287 C TRP A 90 6.873 2.644 -5.268 1.00 0.00 C ATOM 1288 O TRP A 90 5.993 2.840 -6.105 1.00 0.00 O ATOM 1289 CB TRP A 90 7.003 3.335 -2.867 1.00 0.00 C ATOM 1290 CG TRP A 90 8.075 2.478 -2.265 1.00 0.00 C ATOM 1291 CD1 TRP A 90 8.074 1.116 -2.163 1.00 0.00 C ATOM 1292 CD2 TRP A 90 9.302 2.926 -1.680 1.00 0.00 C ATOM 1293 NE1 TRP A 90 9.228 0.691 -1.550 1.00 0.00 N ATOM 1294 CE2 TRP A 90 9.998 1.781 -1.244 1.00 0.00 C ATOM 1295 CE3 TRP A 90 9.882 4.182 -1.483 1.00 0.00 C ATOM 1296 CZ2 TRP A 90 11.242 1.858 -0.624 1.00 0.00 C ATOM 1297 CZ3 TRP A 90 11.117 4.257 -0.867 1.00 0.00 C ATOM 1298 CH2 TRP A 90 11.787 3.101 -0.444 1.00 0.00 C ATOM 0 H TRP A 90 5.617 4.999 -4.429 1.00 0.00 H new ATOM 0 HA TRP A 90 8.370 3.911 -4.421 1.00 0.00 H new ATOM 0 HB2 TRP A 90 6.877 4.229 -2.257 1.00 0.00 H new ATOM 0 HB3 TRP A 90 6.057 2.794 -2.839 1.00 0.00 H new ATOM 0 HD1 TRP A 90 7.283 0.469 -2.512 1.00 0.00 H new ATOM 0 HE1 TRP A 90 9.472 -0.280 -1.354 1.00 0.00 H new ATOM 0 HE3 TRP A 90 9.374 5.079 -1.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 11.759 0.968 -0.296 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.574 5.223 -0.709 1.00 0.00 H new ATOM 0 HH2 TRP A 90 12.752 3.192 0.033 1.00 0.00 H new ATOM 1309 N SER A 91 7.504 1.482 -5.139 1.00 0.00 N ATOM 1310 CA SER A 91 7.193 0.344 -5.997 1.00 0.00 C ATOM 1311 C SER A 91 7.020 -0.927 -5.172 1.00 0.00 C ATOM 1312 O SER A 91 7.899 -1.300 -4.395 1.00 0.00 O ATOM 1313 CB SER A 91 8.299 0.145 -7.036 1.00 0.00 C ATOM 1314 OG SER A 91 9.480 -0.355 -6.435 1.00 0.00 O ATOM 0 H SER A 91 8.234 1.303 -4.449 1.00 0.00 H new ATOM 0 HA SER A 91 6.255 0.553 -6.511 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.958 -0.547 -7.806 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.512 1.093 -7.531 1.00 0.00 H new ATOM 0 HG SER A 91 9.269 -0.716 -5.549 1.00 0.00 H new ATOM 1320 N ALA A 92 5.881 -1.589 -5.348 1.00 0.00 N ATOM 1321 CA ALA A 92 5.592 -2.819 -4.622 1.00 0.00 C ATOM 1322 C ALA A 92 4.769 -3.779 -5.474 1.00 0.00 C ATOM 1323 O ALA A 92 4.127 -3.371 -6.442 1.00 0.00 O ATOM 1324 CB ALA A 92 4.865 -2.507 -3.322 1.00 0.00 C ATOM 0 H ALA A 92 5.143 -1.294 -5.987 1.00 0.00 H new ATOM 0 HA ALA A 92 6.539 -3.304 -4.388 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.656 -3.435 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.490 -1.866 -2.700 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.928 -1.996 -3.543 1.00 0.00 H new ATOM 1330 N VAL A 93 4.792 -5.057 -5.108 1.00 0.00 N ATOM 1331 CA VAL A 93 4.046 -6.075 -5.839 1.00 0.00 C ATOM 1332 C VAL A 93 3.440 -7.100 -4.888 1.00 0.00 C ATOM 1333 O VAL A 93 4.156 -7.875 -4.253 1.00 0.00 O ATOM 1334 CB VAL A 93 4.943 -6.803 -6.858 1.00 0.00 C ATOM 1335 CG1 VAL A 93 4.144 -7.850 -7.619 1.00 0.00 C ATOM 1336 CG2 VAL A 93 5.580 -5.806 -7.814 1.00 0.00 C ATOM 0 H VAL A 93 5.319 -5.412 -4.310 1.00 0.00 H new ATOM 0 HA VAL A 93 3.246 -5.561 -6.372 1.00 0.00 H new ATOM 0 HB VAL A 93 5.741 -7.312 -6.317 1.00 0.00 H new ATOM 0 HG11 VAL A 93 4.794 -8.354 -8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 93 3.740 -8.580 -6.918 1.00 0.00 H new ATOM 0 HG13 VAL A 93 3.325 -7.367 -8.151 1.00 0.00 H new ATOM 0 HG21 VAL A 93 6.210 -6.337 -8.527 1.00 0.00 H new ATOM 0 HG22 VAL A 93 4.799 -5.267 -8.351 1.00 0.00 H new ATOM 0 HG23 VAL A 93 6.187 -5.098 -7.250 1.00 0.00 H new ATOM 1346 N LEU A 94 2.114 -7.100 -4.794 1.00 0.00 N ATOM 1347 CA LEU A 94 1.409 -8.032 -3.920 1.00 0.00 C ATOM 1348 C LEU A 94 1.015 -9.296 -4.677 1.00 0.00 C ATOM 1349 O LEU A 94 0.298 -9.234 -5.677 1.00 0.00 O ATOM 1350 CB LEU A 94 0.164 -7.366 -3.332 1.00 0.00 C ATOM 1351 CG LEU A 94 -0.564 -8.151 -2.240 1.00 0.00 C ATOM 1352 CD1 LEU A 94 -1.279 -9.354 -2.835 1.00 0.00 C ATOM 1353 CD2 LEU A 94 0.411 -8.590 -1.158 1.00 0.00 C ATOM 0 H LEU A 94 1.506 -6.465 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 94 2.081 -8.312 -3.109 1.00 0.00 H new ATOM 0 HB2 LEU A 94 0.453 -6.397 -2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.538 -7.174 -4.143 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.309 -7.498 -1.786 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -1.792 -9.901 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -2.007 -9.016 -3.573 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.552 -10.008 -3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.125 -9.147 -0.390 1.00 0.00 H new ATOM 0 HD22 LEU A 94 1.180 -9.226 -1.597 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.878 -7.712 -0.711 1.00 0.00 H new ATOM 1365 N ASP A 95 1.485 -10.440 -4.193 1.00 0.00 N ATOM 1366 CA ASP A 95 1.178 -11.719 -4.822 1.00 0.00 C ATOM 1367 C ASP A 95 0.304 -12.577 -3.912 1.00 0.00 C ATOM 1368 O ASP A 95 0.758 -13.063 -2.876 1.00 0.00 O ATOM 1369 CB ASP A 95 2.469 -12.467 -5.162 1.00 0.00 C ATOM 1370 CG ASP A 95 2.983 -12.132 -6.548 1.00 0.00 C ATOM 1371 OD1 ASP A 95 3.420 -10.980 -6.758 1.00 0.00 O ATOM 1372 OD2 ASP A 95 2.951 -13.022 -7.424 1.00 0.00 O ATOM 0 H ASP A 95 2.080 -10.508 -3.367 1.00 0.00 H new ATOM 0 HA ASP A 95 0.628 -11.520 -5.742 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.233 -12.221 -4.425 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.293 -13.540 -5.092 1.00 0.00 H new ATOM 1377 N VAL A 96 -0.952 -12.757 -4.305 1.00 0.00 N ATOM 1378 CA VAL A 96 -1.890 -13.556 -3.525 1.00 0.00 C ATOM 1379 C VAL A 96 -1.987 -14.977 -4.068 1.00 0.00 C ATOM 1380 O VAL A 96 -2.391 -15.191 -5.212 1.00 0.00 O ATOM 1381 CB VAL A 96 -3.295 -12.924 -3.519 1.00 0.00 C ATOM 1382 CG1 VAL A 96 -4.243 -13.738 -2.650 1.00 0.00 C ATOM 1383 CG2 VAL A 96 -3.228 -11.481 -3.042 1.00 0.00 C ATOM 0 H VAL A 96 -1.344 -12.360 -5.159 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.508 -13.586 -2.505 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.681 -12.928 -4.538 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.230 -13.277 -2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.314 -14.753 -3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.865 -13.768 -1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.229 -11.050 -3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.822 -11.451 -2.031 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.585 -10.907 -3.709 1.00 0.00 H new ATOM 1393 N THR A 97 -1.612 -15.948 -3.241 1.00 0.00 N ATOM 1394 CA THR A 97 -1.655 -17.349 -3.638 1.00 0.00 C ATOM 1395 C THR A 97 -2.626 -18.138 -2.766 1.00 0.00 C ATOM 1396 O THR A 97 -2.991 -17.700 -1.676 1.00 0.00 O ATOM 1397 CB THR A 97 -0.262 -18.001 -3.552 1.00 0.00 C ATOM 1398 OG1 THR A 97 0.250 -17.889 -2.220 1.00 0.00 O ATOM 1399 CG2 THR A 97 0.703 -17.344 -4.528 1.00 0.00 C ATOM 0 H THR A 97 -1.275 -15.789 -2.292 1.00 0.00 H new ATOM 0 HA THR A 97 -1.997 -17.373 -4.673 1.00 0.00 H new ATOM 0 HB THR A 97 -0.361 -19.054 -3.815 1.00 0.00 H new ATOM 0 HG1 THR A 97 1.208 -17.685 -2.254 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.680 -17.820 -4.450 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.325 -17.456 -5.544 1.00 0.00 H new ATOM 0 HG23 THR A 97 0.796 -16.284 -4.290 1.00 0.00 H new ATOM 1407 N GLU A 98 -3.040 -19.303 -3.254 1.00 0.00 N ATOM 1408 CA GLU A 98 -3.969 -20.152 -2.518 1.00 0.00 C ATOM 1409 C GLU A 98 -3.283 -20.797 -1.317 1.00 0.00 C ATOM 1410 O GLU A 98 -3.869 -20.912 -0.241 1.00 0.00 O ATOM 1411 CB GLU A 98 -4.541 -21.236 -3.435 1.00 0.00 C ATOM 1412 CG GLU A 98 -5.814 -20.817 -4.151 1.00 0.00 C ATOM 1413 CD GLU A 98 -7.058 -21.057 -3.318 1.00 0.00 C ATOM 1414 OE1 GLU A 98 -7.091 -22.062 -2.577 1.00 0.00 O ATOM 1415 OE2 GLU A 98 -7.997 -20.240 -3.407 1.00 0.00 O ATOM 0 H GLU A 98 -2.747 -19.680 -4.155 1.00 0.00 H new ATOM 0 HA GLU A 98 -4.784 -19.525 -2.156 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -3.789 -21.507 -4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.743 -22.130 -2.845 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -5.751 -19.759 -4.407 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -5.897 -21.367 -5.088 1.00 0.00 H new ATOM 1422 N SER A 99 -2.036 -21.216 -1.511 1.00 0.00 N ATOM 1423 CA SER A 99 -1.270 -21.854 -0.446 1.00 0.00 C ATOM 1424 C SER A 99 0.103 -21.205 -0.301 1.00 0.00 C ATOM 1425 O SER A 99 1.132 -21.868 -0.431 1.00 0.00 O ATOM 1426 CB SER A 99 -1.114 -23.350 -0.726 1.00 0.00 C ATOM 1427 OG SER A 99 -2.353 -24.025 -0.601 1.00 0.00 O ATOM 0 H SER A 99 -1.535 -21.125 -2.395 1.00 0.00 H new ATOM 0 HA SER A 99 -1.815 -21.723 0.489 1.00 0.00 H new ATOM 0 HB2 SER A 99 -0.717 -23.495 -1.731 1.00 0.00 H new ATOM 0 HB3 SER A 99 -0.391 -23.779 -0.032 1.00 0.00 H new ATOM 0 HG SER A 99 -2.226 -24.979 -0.787 1.00 0.00 H new ATOM 1433 N GLY A 100 0.111 -19.903 -0.031 1.00 0.00 N ATOM 1434 CA GLY A 100 1.362 -19.186 0.127 1.00 0.00 C ATOM 1435 C GLY A 100 2.440 -19.687 -0.813 1.00 0.00 C ATOM 1436 O GLY A 100 3.365 -20.382 -0.393 1.00 0.00 O ATOM 0 H GLY A 100 -0.727 -19.332 0.081 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.194 -18.124 -0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 100 1.707 -19.286 1.156 1.00 0.00 H new