USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 173:sc= 0 (180deg=-0.0357) USER MOD Single : A 9 THR OG1 : rot -128:sc= 0.553 USER MOD Single : A 18 LYS NZ :NH3+ 175:sc= 0.847 (180deg=0.682) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.0319 X(o=-0.032,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0.102 USER MOD Single : A 58 GLN : amide:sc= -9.81! C(o=-9.8!,f=-8.8!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 130:sc= -0.776 USER MOD Single : A 75 SER OG : rot -60:sc= 1.24 USER MOD Single : A 92 SER OG : rot 6:sc= -2.65! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.344 15.164 -8.667 1.00 0.00 N ATOM 2 CA ALA A 1 -5.332 14.297 -7.452 1.00 0.00 C ATOM 3 C ALA A 1 -6.465 13.276 -7.498 1.00 0.00 C ATOM 4 O ALA A 1 -7.152 13.043 -6.503 1.00 0.00 O ATOM 5 CB ALA A 1 -5.422 15.142 -6.187 1.00 0.00 C ATOM 0 H1 ALA A 1 -4.642 15.924 -8.558 1.00 0.00 H new ATOM 0 H2 ALA A 1 -5.109 14.593 -9.504 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.289 15.581 -8.787 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.388 13.753 -7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.412 14.491 -5.313 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -4.572 15.822 -6.143 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -6.347 15.718 -6.199 1.00 0.00 H new ATOM 13 N VAL A 2 -6.651 12.668 -8.662 1.00 0.00 N ATOM 14 CA VAL A 2 -7.696 11.666 -8.849 1.00 0.00 C ATOM 15 C VAL A 2 -7.539 10.520 -7.847 1.00 0.00 C ATOM 16 O VAL A 2 -6.566 10.474 -7.095 1.00 0.00 O ATOM 17 CB VAL A 2 -7.674 11.101 -10.289 1.00 0.00 C ATOM 18 CG1 VAL A 2 -8.916 10.270 -10.565 1.00 0.00 C ATOM 19 CG2 VAL A 2 -7.552 12.226 -11.308 1.00 0.00 C ATOM 0 H VAL A 2 -6.091 12.851 -9.494 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.654 12.158 -8.679 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.802 10.454 -10.382 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.877 9.884 -11.584 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.960 9.437 -9.863 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.803 10.892 -10.447 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.538 11.806 -12.314 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.402 12.901 -11.208 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.628 12.777 -11.133 1.00 0.00 H new ATOM 29 N LEU A 3 -8.511 9.609 -7.828 1.00 0.00 N ATOM 30 CA LEU A 3 -8.503 8.490 -6.917 1.00 0.00 C ATOM 31 C LEU A 3 -7.430 7.488 -7.231 1.00 0.00 C ATOM 32 O LEU A 3 -6.766 7.549 -8.266 1.00 0.00 O ATOM 33 CB LEU A 3 -9.834 7.743 -7.001 1.00 0.00 C ATOM 34 CG LEU A 3 -10.833 8.040 -5.886 1.00 0.00 C ATOM 35 CD1 LEU A 3 -10.105 8.593 -4.688 1.00 0.00 C ATOM 36 CD2 LEU A 3 -11.900 9.013 -6.366 1.00 0.00 C ATOM 0 H LEU A 3 -9.321 9.635 -8.447 1.00 0.00 H new ATOM 0 HA LEU A 3 -8.324 8.911 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -10.303 7.980 -7.956 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.629 6.672 -7.004 1.00 0.00 H new ATOM 0 HG LEU A 3 -11.331 7.114 -5.600 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.820 8.804 -3.893 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.377 7.863 -4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.591 9.513 -4.967 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.602 9.211 -5.556 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -11.429 9.946 -6.675 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.434 8.579 -7.211 1.00 0.00 H new ATOM 48 N ASP A 4 -7.310 6.530 -6.331 1.00 0.00 N ATOM 49 CA ASP A 4 -6.375 5.466 -6.497 1.00 0.00 C ATOM 50 C ASP A 4 -7.005 4.427 -7.430 1.00 0.00 C ATOM 51 O ASP A 4 -7.752 4.782 -8.341 1.00 0.00 O ATOM 52 CB ASP A 4 -6.006 4.848 -5.142 1.00 0.00 C ATOM 53 CG ASP A 4 -4.790 3.952 -5.224 1.00 0.00 C ATOM 54 OD1 ASP A 4 -4.057 4.037 -6.232 1.00 0.00 O ATOM 55 OD2 ASP A 4 -4.585 3.148 -4.292 1.00 0.00 O ATOM 0 H ASP A 4 -7.861 6.479 -5.474 1.00 0.00 H new ATOM 0 HA ASP A 4 -5.450 5.841 -6.934 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -5.818 5.645 -4.422 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.852 4.273 -4.767 1.00 0.00 H new ATOM 60 N LEU A 5 -6.733 3.155 -7.196 1.00 0.00 N ATOM 61 CA LEU A 5 -7.290 2.095 -7.984 1.00 0.00 C ATOM 62 C LEU A 5 -8.625 1.652 -7.392 1.00 0.00 C ATOM 63 O LEU A 5 -9.558 2.448 -7.308 1.00 0.00 O ATOM 64 CB LEU A 5 -6.272 0.958 -8.071 1.00 0.00 C ATOM 65 CG LEU A 5 -5.496 0.637 -6.780 1.00 0.00 C ATOM 66 CD1 LEU A 5 -5.997 -0.638 -6.130 1.00 0.00 C ATOM 67 CD2 LEU A 5 -4.005 0.527 -7.075 1.00 0.00 C ATOM 0 H LEU A 5 -6.116 2.838 -6.448 1.00 0.00 H new ATOM 0 HA LEU A 5 -7.497 2.434 -8.999 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.793 0.056 -8.390 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -5.552 1.203 -8.851 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.663 1.455 -6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -5.426 -0.832 -5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.052 -0.528 -5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.874 -1.472 -6.821 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -3.468 0.300 -6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.835 -0.269 -7.800 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -3.644 1.471 -7.482 1.00 0.00 H new ATOM 79 N ASP A 6 -8.713 0.405 -6.946 1.00 0.00 N ATOM 80 CA ASP A 6 -9.924 -0.081 -6.330 1.00 0.00 C ATOM 81 C ASP A 6 -10.003 0.517 -4.943 1.00 0.00 C ATOM 82 O ASP A 6 -11.012 1.099 -4.549 1.00 0.00 O ATOM 83 CB ASP A 6 -9.930 -1.611 -6.264 1.00 0.00 C ATOM 84 CG ASP A 6 -11.087 -2.221 -7.032 1.00 0.00 C ATOM 85 OD1 ASP A 6 -11.010 -2.272 -8.277 1.00 0.00 O ATOM 86 OD2 ASP A 6 -12.068 -2.648 -6.388 1.00 0.00 O ATOM 0 H ASP A 6 -7.959 -0.280 -7.003 1.00 0.00 H new ATOM 0 HA ASP A 6 -10.791 0.215 -6.921 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -8.991 -1.992 -6.665 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -9.983 -1.926 -5.222 1.00 0.00 H new ATOM 91 N VAL A 7 -8.889 0.420 -4.242 1.00 0.00 N ATOM 92 CA VAL A 7 -8.759 0.997 -2.923 1.00 0.00 C ATOM 93 C VAL A 7 -8.295 2.440 -3.074 1.00 0.00 C ATOM 94 O VAL A 7 -7.099 2.732 -3.042 1.00 0.00 O ATOM 95 CB VAL A 7 -7.752 0.220 -2.054 1.00 0.00 C ATOM 96 CG1 VAL A 7 -8.332 -1.122 -1.635 1.00 0.00 C ATOM 97 CG2 VAL A 7 -6.436 0.033 -2.795 1.00 0.00 C ATOM 0 H VAL A 7 -8.052 -0.060 -4.572 1.00 0.00 H new ATOM 0 HA VAL A 7 -9.727 0.948 -2.424 1.00 0.00 H new ATOM 0 HB VAL A 7 -7.554 0.802 -1.154 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -7.606 -1.657 -1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.244 -0.961 -1.060 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.562 -1.712 -2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.738 -0.518 -2.164 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.612 -0.525 -3.715 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.013 1.008 -3.038 1.00 0.00 H new ATOM 107 N ARG A 8 -9.253 3.323 -3.296 1.00 0.00 N ATOM 108 CA ARG A 8 -8.996 4.713 -3.523 1.00 0.00 C ATOM 109 C ARG A 8 -8.743 5.513 -2.251 1.00 0.00 C ATOM 110 O ARG A 8 -9.020 5.057 -1.140 1.00 0.00 O ATOM 111 CB ARG A 8 -10.189 5.270 -4.274 1.00 0.00 C ATOM 112 CG ARG A 8 -10.389 4.619 -5.628 1.00 0.00 C ATOM 113 CD ARG A 8 -11.810 4.799 -6.121 1.00 0.00 C ATOM 114 NE ARG A 8 -11.972 4.362 -7.506 1.00 0.00 N ATOM 115 CZ ARG A 8 -12.861 4.886 -8.348 1.00 0.00 C ATOM 116 NH1 ARG A 8 -13.680 5.853 -7.949 1.00 0.00 N ATOM 117 NH2 ARG A 8 -12.936 4.438 -9.595 1.00 0.00 N ATOM 0 H ARG A 8 -10.243 3.079 -3.322 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.074 4.803 -4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -11.088 5.131 -3.673 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.059 6.344 -4.408 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.694 5.052 -6.348 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.157 3.556 -5.561 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.489 4.235 -5.482 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.092 5.849 -6.037 1.00 0.00 H new ATOM 0 HE ARG A 8 -11.370 3.613 -7.847 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -13.631 6.200 -6.991 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -14.358 6.249 -8.601 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.313 3.693 -9.908 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.616 4.839 -10.241 1.00 0.00 H new ATOM 131 N THR A 9 -8.246 6.733 -2.451 1.00 0.00 N ATOM 132 CA THR A 9 -7.970 7.670 -1.374 1.00 0.00 C ATOM 133 C THR A 9 -6.783 7.252 -0.500 1.00 0.00 C ATOM 134 O THR A 9 -6.937 6.446 0.416 1.00 0.00 O ATOM 135 CB THR A 9 -9.219 7.856 -0.530 1.00 0.00 C ATOM 136 OG1 THR A 9 -10.208 8.563 -1.254 1.00 0.00 O ATOM 137 CG2 THR A 9 -8.996 8.589 0.780 1.00 0.00 C ATOM 0 H THR A 9 -8.023 7.098 -3.377 1.00 0.00 H new ATOM 0 HA THR A 9 -7.687 8.617 -1.833 1.00 0.00 H new ATOM 0 HB THR A 9 -9.538 6.842 -0.289 1.00 0.00 H new ATOM 0 HG1 THR A 9 -10.525 9.321 -0.720 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.942 8.675 1.314 1.00 0.00 H new ATOM 0 HG22 THR A 9 -8.283 8.034 1.391 1.00 0.00 H new ATOM 0 HG23 THR A 9 -8.602 9.585 0.577 1.00 0.00 H new ATOM 145 N CYS A 10 -5.598 7.825 -0.774 1.00 0.00 N ATOM 146 CA CYS A 10 -4.395 7.525 0.012 1.00 0.00 C ATOM 147 C CYS A 10 -4.724 7.368 1.500 1.00 0.00 C ATOM 148 O CYS A 10 -4.956 8.355 2.198 1.00 0.00 O ATOM 149 CB CYS A 10 -3.329 8.630 -0.145 1.00 0.00 C ATOM 150 SG CYS A 10 -3.862 10.148 -1.017 1.00 0.00 S ATOM 0 H CYS A 10 -5.451 8.494 -1.530 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.000 6.585 -0.372 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.978 8.911 0.848 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -2.476 8.210 -0.678 1.00 0.00 H new ATOM 155 N LEU A 11 -4.727 6.128 1.983 1.00 0.00 N ATOM 156 CA LEU A 11 -5.011 5.859 3.391 1.00 0.00 C ATOM 157 C LEU A 11 -3.737 5.419 4.111 1.00 0.00 C ATOM 158 O LEU A 11 -3.387 4.239 4.126 1.00 0.00 O ATOM 159 CB LEU A 11 -6.102 4.795 3.525 1.00 0.00 C ATOM 160 CG LEU A 11 -7.384 5.281 4.209 1.00 0.00 C ATOM 161 CD1 LEU A 11 -8.100 6.298 3.334 1.00 0.00 C ATOM 162 CD2 LEU A 11 -8.303 4.112 4.526 1.00 0.00 C ATOM 0 H LEU A 11 -4.537 5.297 1.423 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.372 6.776 3.856 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.354 4.424 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.702 3.952 4.088 1.00 0.00 H new ATOM 0 HG LEU A 11 -7.109 5.762 5.147 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.009 6.633 3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.446 7.152 3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.360 5.839 2.380 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -9.207 4.481 5.011 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.571 3.599 3.602 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.791 3.417 5.192 1.00 0.00 H new ATOM 174 N PRO A 12 -3.005 6.380 4.696 1.00 0.00 N ATOM 175 CA PRO A 12 -1.751 6.112 5.393 1.00 0.00 C ATOM 176 C PRO A 12 -1.757 4.860 6.267 1.00 0.00 C ATOM 177 O PRO A 12 -2.806 4.312 6.616 1.00 0.00 O ATOM 178 CB PRO A 12 -1.577 7.347 6.269 1.00 0.00 C ATOM 179 CG PRO A 12 -2.217 8.449 5.507 1.00 0.00 C ATOM 180 CD PRO A 12 -3.323 7.824 4.688 1.00 0.00 C ATOM 0 HA PRO A 12 -0.950 5.926 4.677 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.051 7.212 7.241 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.523 7.555 6.454 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -2.616 9.206 6.182 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.492 8.946 4.863 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -4.302 8.019 5.125 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.342 8.223 3.674 1.00 0.00 H new ATOM 188 N CYS A 13 -0.546 4.450 6.632 1.00 0.00 N ATOM 189 CA CYS A 13 -0.304 3.296 7.470 1.00 0.00 C ATOM 190 C CYS A 13 1.060 3.437 8.130 1.00 0.00 C ATOM 191 O CYS A 13 1.714 4.471 8.003 1.00 0.00 O ATOM 192 CB CYS A 13 -0.347 2.016 6.642 1.00 0.00 C ATOM 193 SG CYS A 13 -0.664 0.499 7.595 1.00 0.00 S ATOM 0 H CYS A 13 0.309 4.926 6.343 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.080 3.239 8.233 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -1.121 2.118 5.881 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.603 1.907 6.118 1.00 0.00 H new ATOM 198 N GLY A 14 1.507 2.389 8.803 1.00 0.00 N ATOM 199 CA GLY A 14 2.805 2.430 9.426 1.00 0.00 C ATOM 200 C GLY A 14 2.961 3.551 10.433 1.00 0.00 C ATOM 201 O GLY A 14 2.040 3.868 11.185 1.00 0.00 O ATOM 0 H GLY A 14 0.994 1.516 8.927 1.00 0.00 H new ATOM 0 HA2 GLY A 14 2.990 1.478 9.924 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.566 2.539 8.653 1.00 0.00 H new ATOM 205 N PRO A 15 4.154 4.147 10.468 1.00 0.00 N ATOM 206 CA PRO A 15 4.504 5.226 11.386 1.00 0.00 C ATOM 207 C PRO A 15 4.103 6.605 10.860 1.00 0.00 C ATOM 208 O PRO A 15 4.834 7.223 10.086 1.00 0.00 O ATOM 209 CB PRO A 15 6.021 5.072 11.443 1.00 0.00 C ATOM 210 CG PRO A 15 6.379 4.712 10.052 1.00 0.00 C ATOM 211 CD PRO A 15 5.289 3.778 9.611 1.00 0.00 C ATOM 0 HA PRO A 15 3.997 5.163 12.349 1.00 0.00 H new ATOM 0 HB2 PRO A 15 6.508 5.995 11.758 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.321 4.297 12.149 1.00 0.00 H new ATOM 0 HG2 PRO A 15 6.427 5.594 9.414 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.356 4.231 10.006 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.053 3.907 8.555 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.574 2.735 9.749 1.00 0.00 H new ATOM 219 N GLY A 16 2.936 7.079 11.287 1.00 0.00 N ATOM 220 CA GLY A 16 2.453 8.380 10.850 1.00 0.00 C ATOM 221 C GLY A 16 1.651 8.287 9.569 1.00 0.00 C ATOM 222 O GLY A 16 0.441 8.510 9.563 1.00 0.00 O ATOM 0 H GLY A 16 2.315 6.586 11.928 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.835 8.819 11.633 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.300 9.049 10.699 1.00 0.00 H new ATOM 226 N GLY A 17 2.327 7.928 8.485 1.00 0.00 N ATOM 227 CA GLY A 17 1.677 7.774 7.203 1.00 0.00 C ATOM 228 C GLY A 17 2.643 7.402 6.110 1.00 0.00 C ATOM 229 O GLY A 17 2.471 7.765 4.946 1.00 0.00 O ATOM 0 H GLY A 17 3.329 7.739 8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 17 0.906 7.007 7.279 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.175 8.705 6.939 1.00 0.00 H new ATOM 233 N LYS A 18 3.657 6.667 6.505 1.00 0.00 N ATOM 234 CA LYS A 18 4.680 6.205 5.609 1.00 0.00 C ATOM 235 C LYS A 18 4.115 5.145 4.685 1.00 0.00 C ATOM 236 O LYS A 18 4.477 5.049 3.512 1.00 0.00 O ATOM 237 CB LYS A 18 5.822 5.633 6.435 1.00 0.00 C ATOM 238 CG LYS A 18 6.992 6.565 6.624 1.00 0.00 C ATOM 239 CD LYS A 18 6.526 7.993 6.707 1.00 0.00 C ATOM 240 CE LYS A 18 7.675 8.953 6.971 1.00 0.00 C ATOM 241 NZ LYS A 18 8.212 9.542 5.711 1.00 0.00 N ATOM 0 H LYS A 18 3.792 6.372 7.472 1.00 0.00 H new ATOM 0 HA LYS A 18 5.046 7.031 4.999 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.438 5.351 7.415 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.176 4.720 5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 18 7.531 6.300 7.533 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.690 6.453 5.795 1.00 0.00 H new ATOM 0 HD2 LYS A 18 6.031 8.267 5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 18 5.785 8.087 7.501 1.00 0.00 H new ATOM 0 HE2 LYS A 18 7.335 9.753 7.629 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.474 8.427 7.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 8.935 10.253 5.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.637 8.791 5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.439 9.993 5.182 1.00 0.00 H new ATOM 255 N GLY A 19 3.211 4.368 5.239 1.00 0.00 N ATOM 256 CA GLY A 19 2.555 3.326 4.505 1.00 0.00 C ATOM 257 C GLY A 19 1.067 3.590 4.363 1.00 0.00 C ATOM 258 O GLY A 19 0.598 4.685 4.656 1.00 0.00 O ATOM 0 H GLY A 19 2.915 4.446 6.212 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.005 3.239 3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.709 2.373 5.010 1.00 0.00 H new ATOM 262 N ARG A 20 0.331 2.589 3.900 1.00 0.00 N ATOM 263 CA ARG A 20 -1.096 2.699 3.700 1.00 0.00 C ATOM 264 C ARG A 20 -1.707 1.306 3.585 1.00 0.00 C ATOM 265 O ARG A 20 -0.992 0.309 3.685 1.00 0.00 O ATOM 266 CB ARG A 20 -1.361 3.534 2.464 1.00 0.00 C ATOM 267 CG ARG A 20 -0.828 2.916 1.204 1.00 0.00 C ATOM 268 CD ARG A 20 -1.654 3.350 0.014 1.00 0.00 C ATOM 269 NE ARG A 20 -0.935 4.300 -0.827 1.00 0.00 N ATOM 270 CZ ARG A 20 -0.006 3.950 -1.717 1.00 0.00 C ATOM 271 NH1 ARG A 20 0.260 2.669 -1.945 1.00 0.00 N ATOM 272 NH2 ARG A 20 0.639 4.887 -2.399 1.00 0.00 N ATOM 0 H ARG A 20 0.714 1.677 3.653 1.00 0.00 H new ATOM 0 HA ARG A 20 -1.562 3.195 4.552 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -2.435 3.685 2.360 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.912 4.518 2.596 1.00 0.00 H new ATOM 0 HG2 ARG A 20 0.212 3.209 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.844 1.829 1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -1.927 2.476 -0.577 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.583 3.803 0.362 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.156 5.291 -0.729 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.248 1.944 -1.438 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.972 2.410 -2.628 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.424 5.872 -2.242 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.350 4.623 -3.081 1.00 0.00 H new ATOM 286 N CYS A 21 -3.012 1.228 3.364 1.00 0.00 N ATOM 287 CA CYS A 21 -3.680 -0.051 3.220 1.00 0.00 C ATOM 288 C CYS A 21 -3.384 -0.631 1.845 1.00 0.00 C ATOM 289 O CYS A 21 -2.986 0.101 0.939 1.00 0.00 O ATOM 290 CB CYS A 21 -5.173 0.148 3.390 1.00 0.00 C ATOM 291 SG CYS A 21 -5.715 0.325 5.120 1.00 0.00 S ATOM 0 H CYS A 21 -3.627 2.038 3.281 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.318 -0.744 3.979 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -5.475 1.036 2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.694 -0.699 2.944 1.00 0.00 H new ATOM 296 N PHE A 22 -3.556 -1.940 1.680 1.00 0.00 N ATOM 297 CA PHE A 22 -3.267 -2.558 0.391 1.00 0.00 C ATOM 298 C PHE A 22 -4.155 -3.758 0.078 1.00 0.00 C ATOM 299 O PHE A 22 -3.845 -4.535 -0.826 1.00 0.00 O ATOM 300 CB PHE A 22 -1.799 -2.963 0.336 1.00 0.00 C ATOM 301 CG PHE A 22 -0.882 -1.785 0.263 1.00 0.00 C ATOM 302 CD1 PHE A 22 -0.580 -1.058 1.394 1.00 0.00 C ATOM 303 CD2 PHE A 22 -0.334 -1.401 -0.936 1.00 0.00 C ATOM 304 CE1 PHE A 22 0.257 0.035 1.323 1.00 0.00 C ATOM 305 CE2 PHE A 22 0.502 -0.310 -1.017 1.00 0.00 C ATOM 306 CZ PHE A 22 0.797 0.411 0.116 1.00 0.00 C ATOM 0 H PHE A 22 -3.886 -2.579 2.403 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.484 -1.811 -0.372 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -1.555 -3.555 1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.634 -3.602 -0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.003 -1.347 2.345 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -0.562 -1.963 -1.829 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.489 0.596 2.216 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.925 -0.021 -1.968 1.00 0.00 H new ATOM 0 HZ PHE A 22 1.450 1.269 0.058 1.00 0.00 H new ATOM 316 N GLY A 23 -5.270 -3.900 0.786 1.00 0.00 N ATOM 317 CA GLY A 23 -6.158 -5.011 0.496 1.00 0.00 C ATOM 318 C GLY A 23 -6.818 -5.637 1.714 1.00 0.00 C ATOM 319 O GLY A 23 -7.675 -5.018 2.344 1.00 0.00 O ATOM 0 H GLY A 23 -5.571 -3.281 1.539 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.937 -4.667 -0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -5.593 -5.781 -0.029 1.00 0.00 H new ATOM 323 N PRO A 24 -6.476 -6.905 2.031 1.00 0.00 N ATOM 324 CA PRO A 24 -7.065 -7.652 3.128 1.00 0.00 C ATOM 325 C PRO A 24 -6.132 -7.791 4.320 1.00 0.00 C ATOM 326 O PRO A 24 -5.121 -8.489 4.241 1.00 0.00 O ATOM 327 CB PRO A 24 -7.252 -9.001 2.451 1.00 0.00 C ATOM 328 CG PRO A 24 -6.021 -9.158 1.607 1.00 0.00 C ATOM 329 CD PRO A 24 -5.518 -7.760 1.311 1.00 0.00 C ATOM 0 HA PRO A 24 -7.960 -7.189 3.544 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.340 -9.805 3.181 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.157 -9.021 1.844 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.263 -9.739 2.132 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.249 -9.691 0.684 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.499 -7.614 1.668 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.514 -7.550 0.241 1.00 0.00 H new ATOM 337 N SER A 25 -6.462 -7.127 5.424 1.00 0.00 N ATOM 338 CA SER A 25 -5.624 -7.198 6.620 1.00 0.00 C ATOM 339 C SER A 25 -4.176 -6.901 6.270 1.00 0.00 C ATOM 340 O SER A 25 -3.260 -7.330 6.974 1.00 0.00 O ATOM 341 CB SER A 25 -5.694 -8.595 7.234 1.00 0.00 C ATOM 342 OG SER A 25 -5.868 -8.525 8.638 1.00 0.00 O ATOM 0 H SER A 25 -7.292 -6.541 5.517 1.00 0.00 H new ATOM 0 HA SER A 25 -5.992 -6.459 7.332 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.520 -9.151 6.789 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.780 -9.143 7.004 1.00 0.00 H new ATOM 0 HG SER A 25 -5.911 -9.431 9.008 1.00 0.00 H new ATOM 348 N ILE A 26 -3.968 -6.207 5.166 1.00 0.00 N ATOM 349 CA ILE A 26 -2.628 -5.912 4.718 1.00 0.00 C ATOM 350 C ILE A 26 -2.325 -4.415 4.728 1.00 0.00 C ATOM 351 O ILE A 26 -3.209 -3.566 4.606 1.00 0.00 O ATOM 352 CB ILE A 26 -2.393 -6.500 3.310 1.00 0.00 C ATOM 353 CG1 ILE A 26 -0.993 -7.066 3.176 1.00 0.00 C ATOM 354 CG2 ILE A 26 -2.625 -5.453 2.244 1.00 0.00 C ATOM 355 CD1 ILE A 26 -0.906 -8.119 2.089 1.00 0.00 C ATOM 0 H ILE A 26 -4.709 -5.840 4.568 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.942 -6.381 5.424 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.109 -7.311 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -0.295 -6.258 2.954 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.686 -7.501 4.127 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.453 -5.891 1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -3.651 -5.092 2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.938 -4.621 2.396 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.115 -8.496 2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.583 -8.940 2.323 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.187 -7.679 1.132 1.00 0.00 H new ATOM 367 N CYS A 27 -1.047 -4.134 4.857 1.00 0.00 N ATOM 368 CA CYS A 27 -0.508 -2.795 4.877 1.00 0.00 C ATOM 369 C CYS A 27 0.956 -2.893 4.507 1.00 0.00 C ATOM 370 O CYS A 27 1.659 -3.775 4.996 1.00 0.00 O ATOM 371 CB CYS A 27 -0.644 -2.189 6.249 1.00 0.00 C ATOM 372 SG CYS A 27 -1.670 -0.691 6.303 1.00 0.00 S ATOM 0 H CYS A 27 -0.333 -4.856 4.954 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.050 -2.161 4.175 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -1.071 -2.933 6.922 1.00 0.00 H new ATOM 0 HB3 CYS A 27 0.349 -1.949 6.628 1.00 0.00 H new ATOM 377 N CYS A 28 1.414 -2.041 3.628 1.00 0.00 N ATOM 378 CA CYS A 28 2.759 -2.110 3.190 1.00 0.00 C ATOM 379 C CYS A 28 3.279 -0.742 2.802 1.00 0.00 C ATOM 380 O CYS A 28 2.861 -0.184 1.787 1.00 0.00 O ATOM 381 CB CYS A 28 2.758 -3.053 2.027 1.00 0.00 C ATOM 382 SG CYS A 28 2.692 -4.810 2.514 1.00 0.00 S ATOM 0 H CYS A 28 0.863 -1.293 3.207 1.00 0.00 H new ATOM 0 HA CYS A 28 3.422 -2.462 3.980 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.903 -2.829 1.389 1.00 0.00 H new ATOM 0 HB3 CYS A 28 3.655 -2.883 1.431 1.00 0.00 H new ATOM 387 N GLY A 29 4.172 -0.184 3.599 1.00 0.00 N ATOM 388 CA GLY A 29 4.688 1.092 3.279 1.00 0.00 C ATOM 389 C GLY A 29 5.823 0.989 2.281 1.00 0.00 C ATOM 390 O GLY A 29 6.806 0.294 2.546 1.00 0.00 O ATOM 0 H GLY A 29 4.537 -0.603 4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.894 1.716 2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.041 1.582 4.186 1.00 0.00 H new ATOM 394 N ASP A 30 5.717 1.661 1.128 1.00 0.00 N ATOM 395 CA ASP A 30 6.780 1.586 0.130 1.00 0.00 C ATOM 396 C ASP A 30 8.061 2.066 0.784 1.00 0.00 C ATOM 397 O ASP A 30 9.028 1.318 0.916 1.00 0.00 O ATOM 398 CB ASP A 30 6.450 2.468 -1.078 1.00 0.00 C ATOM 399 CG ASP A 30 7.281 2.116 -2.298 1.00 0.00 C ATOM 400 OD1 ASP A 30 7.249 0.940 -2.715 1.00 0.00 O ATOM 401 OD2 ASP A 30 7.960 3.016 -2.833 1.00 0.00 O ATOM 0 H ASP A 30 4.924 2.249 0.871 1.00 0.00 H new ATOM 0 HA ASP A 30 6.887 0.561 -0.224 1.00 0.00 H new ATOM 0 HB2 ASP A 30 5.392 2.365 -1.321 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.617 3.513 -0.817 1.00 0.00 H new ATOM 406 N GLU A 31 8.024 3.280 1.284 1.00 0.00 N ATOM 407 CA GLU A 31 9.125 3.828 2.029 1.00 0.00 C ATOM 408 C GLU A 31 9.038 3.306 3.463 1.00 0.00 C ATOM 409 O GLU A 31 9.577 3.915 4.388 1.00 0.00 O ATOM 410 CB GLU A 31 9.016 5.347 2.050 1.00 0.00 C ATOM 411 CG GLU A 31 7.688 5.827 2.625 1.00 0.00 C ATOM 412 CD GLU A 31 7.831 7.096 3.441 1.00 0.00 C ATOM 413 OE1 GLU A 31 8.935 7.340 3.968 1.00 0.00 O ATOM 414 OE2 GLU A 31 6.836 7.845 3.555 1.00 0.00 O ATOM 0 H GLU A 31 7.229 3.911 1.184 1.00 0.00 H new ATOM 0 HA GLU A 31 10.070 3.538 1.570 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.834 5.759 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.130 5.731 1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.985 6.001 1.810 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.263 5.043 3.251 1.00 0.00 H new ATOM 421 N LEU A 32 8.272 2.226 3.650 1.00 0.00 N ATOM 422 CA LEU A 32 8.020 1.696 4.977 1.00 0.00 C ATOM 423 C LEU A 32 7.740 0.187 4.981 1.00 0.00 C ATOM 424 O LEU A 32 6.906 -0.288 5.732 1.00 0.00 O ATOM 425 CB LEU A 32 6.842 2.495 5.520 1.00 0.00 C ATOM 426 CG LEU A 32 6.292 2.159 6.902 1.00 0.00 C ATOM 427 CD1 LEU A 32 5.010 1.367 6.752 1.00 0.00 C ATOM 428 CD2 LEU A 32 7.302 1.432 7.788 1.00 0.00 C ATOM 0 H LEU A 32 7.821 1.709 2.896 1.00 0.00 H new ATOM 0 HA LEU A 32 8.904 1.802 5.605 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.134 3.545 5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.023 2.398 4.808 1.00 0.00 H new ATOM 0 HG LEU A 32 6.081 3.097 7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.614 1.125 7.738 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.278 1.960 6.203 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.213 0.445 6.207 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.850 1.221 8.757 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.595 0.496 7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 32 8.182 2.060 7.927 1.00 0.00 H new ATOM 440 N GLY A 33 8.470 -0.554 4.155 1.00 0.00 N ATOM 441 CA GLY A 33 8.336 -2.011 4.094 1.00 0.00 C ATOM 442 C GLY A 33 6.912 -2.544 4.059 1.00 0.00 C ATOM 443 O GLY A 33 5.945 -1.785 4.062 1.00 0.00 O ATOM 0 H GLY A 33 9.165 -0.171 3.514 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.859 -2.368 3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.843 -2.440 4.958 1.00 0.00 H new ATOM 447 N CYS A 34 6.808 -3.879 3.975 1.00 0.00 N ATOM 448 CA CYS A 34 5.521 -4.579 3.877 1.00 0.00 C ATOM 449 C CYS A 34 5.107 -5.276 5.180 1.00 0.00 C ATOM 450 O CYS A 34 5.872 -6.057 5.742 1.00 0.00 O ATOM 451 CB CYS A 34 5.627 -5.630 2.768 1.00 0.00 C ATOM 452 SG CYS A 34 4.261 -5.662 1.562 1.00 0.00 S ATOM 0 H CYS A 34 7.615 -4.503 3.973 1.00 0.00 H new ATOM 0 HA CYS A 34 4.759 -3.831 3.661 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.559 -5.465 2.227 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.698 -6.613 3.233 1.00 0.00 H new ATOM 457 N PHE A 35 3.872 -5.021 5.631 1.00 0.00 N ATOM 458 CA PHE A 35 3.340 -5.669 6.843 1.00 0.00 C ATOM 459 C PHE A 35 1.937 -6.235 6.612 1.00 0.00 C ATOM 460 O PHE A 35 0.963 -5.484 6.596 1.00 0.00 O ATOM 461 CB PHE A 35 3.278 -4.692 8.018 1.00 0.00 C ATOM 462 CG PHE A 35 4.481 -3.822 8.140 1.00 0.00 C ATOM 463 CD1 PHE A 35 4.701 -2.821 7.220 1.00 0.00 C ATOM 464 CD2 PHE A 35 5.393 -4.005 9.169 1.00 0.00 C ATOM 465 CE1 PHE A 35 5.803 -2.012 7.314 1.00 0.00 C ATOM 466 CE2 PHE A 35 6.506 -3.190 9.268 1.00 0.00 C ATOM 467 CZ PHE A 35 6.709 -2.189 8.334 1.00 0.00 C ATOM 0 H PHE A 35 3.224 -4.375 5.180 1.00 0.00 H new ATOM 0 HA PHE A 35 4.025 -6.483 7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.395 -4.062 7.909 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.154 -5.257 8.942 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.997 -2.672 6.415 1.00 0.00 H new ATOM 0 HD2 PHE A 35 5.233 -4.787 9.896 1.00 0.00 H new ATOM 0 HE1 PHE A 35 5.961 -1.232 6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 35 7.214 -3.334 10.071 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.576 -1.549 8.406 1.00 0.00 H new ATOM 477 N VAL A 36 1.817 -7.552 6.490 1.00 0.00 N ATOM 478 CA VAL A 36 0.502 -8.160 6.320 1.00 0.00 C ATOM 479 C VAL A 36 -0.028 -8.609 7.666 1.00 0.00 C ATOM 480 O VAL A 36 0.487 -9.547 8.274 1.00 0.00 O ATOM 481 CB VAL A 36 0.509 -9.366 5.360 1.00 0.00 C ATOM 482 CG1 VAL A 36 -0.924 -9.746 4.975 1.00 0.00 C ATOM 483 CG2 VAL A 36 1.358 -9.072 4.130 1.00 0.00 C ATOM 0 H VAL A 36 2.597 -8.209 6.505 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.139 -7.397 5.879 1.00 0.00 H new ATOM 0 HB VAL A 36 0.957 -10.218 5.871 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.904 -10.599 4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.484 -10.009 5.872 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.404 -8.901 4.482 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.349 -9.937 3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.951 -8.207 3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.382 -8.861 4.437 1.00 0.00 H new ATOM 493 N GLY A 37 -1.052 -7.916 8.132 1.00 0.00 N ATOM 494 CA GLY A 37 -1.636 -8.236 9.421 1.00 0.00 C ATOM 495 C GLY A 37 -0.623 -8.120 10.547 1.00 0.00 C ATOM 496 O GLY A 37 -0.797 -8.708 11.614 1.00 0.00 O ATOM 0 H GLY A 37 -1.492 -7.136 7.643 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.474 -7.567 9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.037 -9.249 9.396 1.00 0.00 H new ATOM 500 N THR A 38 0.444 -7.362 10.298 1.00 0.00 N ATOM 501 CA THR A 38 1.501 -7.162 11.284 1.00 0.00 C ATOM 502 C THR A 38 1.244 -5.883 12.080 1.00 0.00 C ATOM 503 O THR A 38 0.278 -5.167 11.818 1.00 0.00 O ATOM 504 CB THR A 38 2.858 -7.080 10.582 1.00 0.00 C ATOM 505 OG1 THR A 38 2.888 -7.929 9.449 1.00 0.00 O ATOM 506 CG2 THR A 38 4.035 -7.452 11.457 1.00 0.00 C ATOM 0 H THR A 38 0.598 -6.874 9.416 1.00 0.00 H new ATOM 0 HA THR A 38 1.507 -8.007 11.972 1.00 0.00 H new ATOM 0 HB THR A 38 2.961 -6.031 10.305 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.763 -7.861 9.013 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.957 -7.367 10.882 1.00 0.00 H new ATOM 0 HG22 THR A 38 4.078 -6.780 12.314 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.919 -8.478 11.807 1.00 0.00 H new ATOM 514 N ALA A 39 2.116 -5.593 13.045 1.00 0.00 N ATOM 515 CA ALA A 39 1.972 -4.395 13.870 1.00 0.00 C ATOM 516 C ALA A 39 1.793 -3.142 13.015 1.00 0.00 C ATOM 517 O ALA A 39 0.843 -2.393 13.196 1.00 0.00 O ATOM 518 CB ALA A 39 3.171 -4.239 14.792 1.00 0.00 C ATOM 0 H ALA A 39 2.926 -6.169 13.274 1.00 0.00 H new ATOM 0 HA ALA A 39 1.073 -4.516 14.475 1.00 0.00 H new ATOM 0 HB1 ALA A 39 3.049 -3.342 15.400 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.246 -5.111 15.442 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.079 -4.152 14.196 1.00 0.00 H new ATOM 524 N GLU A 40 2.712 -2.918 12.088 1.00 0.00 N ATOM 525 CA GLU A 40 2.646 -1.750 11.213 1.00 0.00 C ATOM 526 C GLU A 40 1.510 -1.851 10.184 1.00 0.00 C ATOM 527 O GLU A 40 1.431 -1.031 9.268 1.00 0.00 O ATOM 528 CB GLU A 40 3.982 -1.570 10.501 1.00 0.00 C ATOM 529 CG GLU A 40 4.794 -0.393 11.011 1.00 0.00 C ATOM 530 CD GLU A 40 5.667 -0.761 12.195 1.00 0.00 C ATOM 531 OE1 GLU A 40 6.105 -1.928 12.270 1.00 0.00 O ATOM 532 OE2 GLU A 40 5.913 0.118 13.048 1.00 0.00 O ATOM 0 H GLU A 40 3.513 -3.527 11.920 1.00 0.00 H new ATOM 0 HA GLU A 40 2.435 -0.882 11.838 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.569 -2.481 10.615 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.800 -1.439 9.434 1.00 0.00 H new ATOM 0 HG2 GLU A 40 5.421 -0.012 10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 40 4.119 0.413 11.298 1.00 0.00 H new ATOM 539 N ALA A 41 0.651 -2.865 10.314 1.00 0.00 N ATOM 540 CA ALA A 41 -0.445 -3.057 9.367 1.00 0.00 C ATOM 541 C ALA A 41 -1.813 -2.723 9.971 1.00 0.00 C ATOM 542 O ALA A 41 -2.755 -2.404 9.244 1.00 0.00 O ATOM 543 CB ALA A 41 -0.444 -4.489 8.876 1.00 0.00 C ATOM 0 H ALA A 41 0.694 -3.559 11.060 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.281 -2.368 8.538 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.262 -4.632 8.170 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.504 -4.704 8.382 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.573 -5.164 9.722 1.00 0.00 H new ATOM 549 N LEU A 42 -1.924 -2.815 11.290 1.00 0.00 N ATOM 550 CA LEU A 42 -3.181 -2.538 11.980 1.00 0.00 C ATOM 551 C LEU A 42 -3.774 -1.175 11.611 1.00 0.00 C ATOM 552 O LEU A 42 -4.958 -0.928 11.846 1.00 0.00 O ATOM 553 CB LEU A 42 -2.995 -2.635 13.498 1.00 0.00 C ATOM 554 CG LEU A 42 -1.719 -1.993 14.064 1.00 0.00 C ATOM 555 CD1 LEU A 42 -1.197 -0.900 13.149 1.00 0.00 C ATOM 556 CD2 LEU A 42 -1.972 -1.438 15.458 1.00 0.00 C ATOM 0 H LEU A 42 -1.156 -3.080 11.907 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.890 -3.297 11.650 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.856 -2.171 13.980 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.003 -3.688 13.778 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.958 -2.771 14.128 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.294 -0.466 13.578 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.967 -1.323 12.171 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.955 -0.124 13.039 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.057 -0.988 15.842 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -2.757 -0.683 15.412 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.284 -2.246 16.120 1.00 0.00 H new ATOM 568 N ARG A 43 -2.964 -0.301 11.030 1.00 0.00 N ATOM 569 CA ARG A 43 -3.429 1.020 10.634 1.00 0.00 C ATOM 570 C ARG A 43 -4.646 0.940 9.718 1.00 0.00 C ATOM 571 O ARG A 43 -5.368 1.922 9.548 1.00 0.00 O ATOM 572 CB ARG A 43 -2.310 1.769 9.938 1.00 0.00 C ATOM 573 CG ARG A 43 -1.909 3.048 10.650 1.00 0.00 C ATOM 574 CD ARG A 43 -1.384 2.755 12.046 1.00 0.00 C ATOM 575 NE ARG A 43 0.045 2.453 12.041 1.00 0.00 N ATOM 576 CZ ARG A 43 0.691 1.924 13.076 1.00 0.00 C ATOM 577 NH1 ARG A 43 0.043 1.662 14.204 1.00 0.00 N ATOM 578 NH2 ARG A 43 1.987 1.656 12.985 1.00 0.00 N ATOM 0 H ARG A 43 -1.982 -0.483 10.823 1.00 0.00 H new ATOM 0 HA ARG A 43 -3.727 1.554 11.536 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.440 1.117 9.860 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.621 2.010 8.921 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.144 3.565 10.071 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.767 3.717 10.714 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.571 3.613 12.691 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.931 1.913 12.470 1.00 0.00 H new ATOM 0 HE ARG A 43 0.578 2.660 11.196 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.954 1.866 14.279 1.00 0.00 H new ATOM 0 HH12 ARG A 43 0.541 1.256 14.996 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.490 1.856 12.120 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.481 1.250 13.780 1.00 0.00 H new ATOM 592 N CYS A 44 -4.866 -0.228 9.128 1.00 0.00 N ATOM 593 CA CYS A 44 -5.992 -0.425 8.231 1.00 0.00 C ATOM 594 C CYS A 44 -7.305 -0.470 8.998 1.00 0.00 C ATOM 595 O CYS A 44 -8.380 -0.446 8.402 1.00 0.00 O ATOM 596 CB CYS A 44 -5.813 -1.699 7.400 1.00 0.00 C ATOM 597 SG CYS A 44 -6.323 -1.541 5.653 1.00 0.00 S ATOM 0 H CYS A 44 -4.278 -1.052 9.256 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.026 0.427 7.552 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -4.765 -1.996 7.434 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.387 -2.503 7.862 1.00 0.00 H new ATOM 602 N GLN A 45 -7.227 -0.497 10.322 1.00 0.00 N ATOM 603 CA GLN A 45 -8.427 -0.490 11.131 1.00 0.00 C ATOM 604 C GLN A 45 -9.215 0.776 10.823 1.00 0.00 C ATOM 605 O GLN A 45 -10.442 0.819 10.937 1.00 0.00 O ATOM 606 CB GLN A 45 -8.070 -0.555 12.617 1.00 0.00 C ATOM 607 CG GLN A 45 -8.510 -1.846 13.289 1.00 0.00 C ATOM 608 CD GLN A 45 -7.657 -3.038 12.893 1.00 0.00 C ATOM 609 OE1 GLN A 45 -8.137 -3.973 12.252 1.00 0.00 O ATOM 610 NE2 GLN A 45 -6.386 -3.011 13.276 1.00 0.00 N ATOM 0 H GLN A 45 -6.354 -0.524 10.849 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.035 -1.364 10.897 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -6.991 -0.446 12.729 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.531 0.289 13.131 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.468 -1.719 14.371 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.550 -2.048 13.031 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.030 -2.216 13.806 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.766 -3.786 13.040 1.00 0.00 H new ATOM 619 N GLU A 46 -8.479 1.801 10.392 1.00 0.00 N ATOM 620 CA GLU A 46 -9.067 3.077 10.025 1.00 0.00 C ATOM 621 C GLU A 46 -9.701 2.978 8.640 1.00 0.00 C ATOM 622 O GLU A 46 -10.474 3.847 8.233 1.00 0.00 O ATOM 623 CB GLU A 46 -7.985 4.167 10.045 1.00 0.00 C ATOM 624 CG GLU A 46 -7.122 4.211 8.789 1.00 0.00 C ATOM 625 CD GLU A 46 -7.497 5.348 7.858 1.00 0.00 C ATOM 626 OE1 GLU A 46 -8.709 5.552 7.631 1.00 0.00 O ATOM 627 OE2 GLU A 46 -6.582 6.034 7.358 1.00 0.00 O ATOM 0 H GLU A 46 -7.465 1.765 10.290 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.844 3.339 10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.464 5.137 10.178 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.341 4.009 10.910 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.075 4.313 9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.216 3.265 8.256 1.00 0.00 H new ATOM 634 N GLU A 47 -9.383 1.894 7.927 1.00 0.00 N ATOM 635 CA GLU A 47 -9.937 1.678 6.598 1.00 0.00 C ATOM 636 C GLU A 47 -11.448 1.438 6.672 1.00 0.00 C ATOM 637 O GLU A 47 -12.113 1.327 5.642 1.00 0.00 O ATOM 638 CB GLU A 47 -9.251 0.488 5.917 1.00 0.00 C ATOM 639 CG GLU A 47 -8.847 0.753 4.476 1.00 0.00 C ATOM 640 CD GLU A 47 -10.035 0.807 3.536 1.00 0.00 C ATOM 641 OE1 GLU A 47 -10.857 -0.132 3.567 1.00 0.00 O ATOM 642 OE2 GLU A 47 -10.141 1.785 2.766 1.00 0.00 O ATOM 0 H GLU A 47 -8.750 1.161 8.248 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.756 2.576 6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.364 0.217 6.489 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.922 -0.370 5.944 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.304 1.696 4.423 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.162 -0.028 4.145 1.00 0.00 H new ATOM 649 N ASN A 48 -11.991 1.374 7.890 1.00 0.00 N ATOM 650 CA ASN A 48 -13.419 1.166 8.080 1.00 0.00 C ATOM 651 C ASN A 48 -14.213 2.187 7.273 1.00 0.00 C ATOM 652 O ASN A 48 -15.192 1.843 6.610 1.00 0.00 O ATOM 653 CB ASN A 48 -13.777 1.279 9.565 1.00 0.00 C ATOM 654 CG ASN A 48 -14.805 0.252 9.995 1.00 0.00 C ATOM 655 OD1 ASN A 48 -16.000 0.409 9.743 1.00 0.00 O ATOM 656 ND2 ASN A 48 -14.345 -0.807 10.652 1.00 0.00 N ATOM 0 H ASN A 48 -11.459 1.464 8.756 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.675 0.166 7.731 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.874 1.157 10.163 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.161 2.279 9.768 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -14.990 -1.530 10.969 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.346 -0.897 10.839 1.00 0.00 H new ATOM 663 N TYR A 49 -13.774 3.442 7.327 1.00 0.00 N ATOM 664 CA TYR A 49 -14.434 4.525 6.596 1.00 0.00 C ATOM 665 C TYR A 49 -13.717 4.793 5.276 1.00 0.00 C ATOM 666 O TYR A 49 -12.595 4.329 5.065 1.00 0.00 O ATOM 667 CB TYR A 49 -14.455 5.803 7.450 1.00 0.00 C ATOM 668 CG TYR A 49 -15.406 5.764 8.628 1.00 0.00 C ATOM 669 CD1 TYR A 49 -16.123 4.622 8.907 1.00 0.00 C ATOM 670 CD2 TYR A 49 -15.588 6.872 9.448 1.00 0.00 C ATOM 671 CE1 TYR A 49 -17.002 4.565 9.967 1.00 0.00 C ATOM 672 CE2 TYR A 49 -16.464 6.831 10.518 1.00 0.00 C ATOM 673 CZ TYR A 49 -17.171 5.673 10.773 1.00 0.00 C ATOM 674 OH TYR A 49 -18.052 5.623 11.835 1.00 0.00 O ATOM 0 H TYR A 49 -12.962 3.736 7.870 1.00 0.00 H new ATOM 0 HA TYR A 49 -15.459 4.223 6.381 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -13.448 5.992 7.821 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -14.723 6.645 6.812 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -15.994 3.751 8.281 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -15.037 7.779 9.247 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -17.555 3.659 10.166 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -16.594 7.698 11.149 1.00 0.00 H new ATOM 0 HH TYR A 49 -18.052 6.485 12.301 1.00 0.00 H new ATOM 684 N LEU A 50 -14.367 5.538 4.388 1.00 0.00 N ATOM 685 CA LEU A 50 -13.789 5.865 3.098 1.00 0.00 C ATOM 686 C LEU A 50 -14.178 7.279 2.663 1.00 0.00 C ATOM 687 O LEU A 50 -15.025 7.459 1.788 1.00 0.00 O ATOM 688 CB LEU A 50 -14.221 4.844 2.041 1.00 0.00 C ATOM 689 CG LEU A 50 -13.108 4.380 1.100 1.00 0.00 C ATOM 690 CD1 LEU A 50 -12.541 5.558 0.323 1.00 0.00 C ATOM 691 CD2 LEU A 50 -12.012 3.674 1.884 1.00 0.00 C ATOM 0 H LEU A 50 -15.298 5.926 4.543 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.704 5.827 3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.636 3.972 2.547 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -15.024 5.278 1.445 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.529 3.673 0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.750 5.209 -0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.333 6.020 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.133 6.291 1.019 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -11.227 3.350 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.592 4.359 2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -12.431 2.806 2.394 1.00 0.00 H new ATOM 703 N PRO A 51 -13.566 8.303 3.281 1.00 0.00 N ATOM 704 CA PRO A 51 -13.846 9.714 2.971 1.00 0.00 C ATOM 705 C PRO A 51 -13.710 10.045 1.485 1.00 0.00 C ATOM 706 O PRO A 51 -13.592 9.154 0.646 1.00 0.00 O ATOM 707 CB PRO A 51 -12.779 10.458 3.772 1.00 0.00 C ATOM 708 CG PRO A 51 -12.528 9.566 4.926 1.00 0.00 C ATOM 709 CD PRO A 51 -12.558 8.178 4.351 1.00 0.00 C ATOM 0 HA PRO A 51 -14.873 9.982 3.220 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -11.875 10.618 3.184 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -13.129 11.439 4.092 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -11.566 9.781 5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -13.289 9.692 5.696 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -11.585 7.878 3.961 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -12.845 7.435 5.096 1.00 0.00 H new ATOM 717 N SER A 52 -13.720 11.339 1.180 1.00 0.00 N ATOM 718 CA SER A 52 -13.590 11.816 -0.194 1.00 0.00 C ATOM 719 C SER A 52 -12.261 11.356 -0.804 1.00 0.00 C ATOM 720 O SER A 52 -11.427 10.778 -0.111 1.00 0.00 O ATOM 721 CB SER A 52 -13.693 13.345 -0.215 1.00 0.00 C ATOM 722 OG SER A 52 -14.991 13.771 0.159 1.00 0.00 O ATOM 0 H SER A 52 -13.818 12.082 1.872 1.00 0.00 H new ATOM 0 HA SER A 52 -14.396 11.395 -0.795 1.00 0.00 H new ATOM 0 HB2 SER A 52 -12.956 13.772 0.465 1.00 0.00 H new ATOM 0 HB3 SER A 52 -13.458 13.715 -1.213 1.00 0.00 H new ATOM 0 HG SER A 52 -15.032 14.750 0.140 1.00 0.00 H new ATOM 728 N PRO A 53 -12.049 11.597 -2.115 1.00 0.00 N ATOM 729 CA PRO A 53 -10.817 11.194 -2.805 1.00 0.00 C ATOM 730 C PRO A 53 -9.554 11.596 -2.056 1.00 0.00 C ATOM 731 O PRO A 53 -9.622 12.182 -0.976 1.00 0.00 O ATOM 732 CB PRO A 53 -10.907 11.927 -4.142 1.00 0.00 C ATOM 733 CG PRO A 53 -12.368 12.069 -4.387 1.00 0.00 C ATOM 734 CD PRO A 53 -12.992 12.270 -3.033 1.00 0.00 C ATOM 0 HA PRO A 53 -10.744 10.110 -2.897 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -10.415 12.899 -4.097 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.423 11.362 -4.939 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.574 12.915 -5.042 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -12.771 11.182 -4.876 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -13.099 13.328 -2.794 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.987 11.829 -2.980 1.00 0.00 H new ATOM 742 N CYS A 54 -8.400 11.263 -2.629 1.00 0.00 N ATOM 743 CA CYS A 54 -7.123 11.583 -2.001 1.00 0.00 C ATOM 744 C CYS A 54 -5.972 11.531 -3.008 1.00 0.00 C ATOM 745 O CYS A 54 -5.303 12.539 -3.222 1.00 0.00 O ATOM 746 CB CYS A 54 -6.861 10.627 -0.831 1.00 0.00 C ATOM 747 SG CYS A 54 -5.338 10.952 0.122 1.00 0.00 S ATOM 0 H CYS A 54 -8.324 10.775 -3.521 1.00 0.00 H new ATOM 0 HA CYS A 54 -7.178 12.603 -1.622 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -7.711 10.672 -0.150 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -6.816 9.609 -1.219 1.00 0.00 H new ATOM 752 N GLN A 55 -5.731 10.364 -3.629 1.00 0.00 N ATOM 753 CA GLN A 55 -4.639 10.230 -4.590 1.00 0.00 C ATOM 754 C GLN A 55 -4.476 8.781 -5.042 1.00 0.00 C ATOM 755 O GLN A 55 -5.246 7.910 -4.643 1.00 0.00 O ATOM 756 CB GLN A 55 -3.337 10.687 -3.933 1.00 0.00 C ATOM 757 CG GLN A 55 -2.261 11.160 -4.896 1.00 0.00 C ATOM 758 CD GLN A 55 -0.863 10.992 -4.328 1.00 0.00 C ATOM 759 OE1 GLN A 55 -0.015 10.326 -4.924 1.00 0.00 O ATOM 760 NE2 GLN A 55 -0.620 11.592 -3.169 1.00 0.00 N ATOM 0 H GLN A 55 -6.274 9.513 -3.481 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.871 10.844 -5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.563 11.496 -3.239 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.937 9.863 -3.342 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.341 10.602 -5.829 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.429 12.210 -5.137 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.353 12.134 -2.711 1.00 0.00 H new ATOM 0 HE22 GLN A 55 0.300 11.511 -2.736 1.00 0.00 H new ATOM 769 N SER A 56 -3.446 8.528 -5.854 1.00 0.00 N ATOM 770 CA SER A 56 -3.155 7.183 -6.331 1.00 0.00 C ATOM 771 C SER A 56 -2.869 6.270 -5.141 1.00 0.00 C ATOM 772 O SER A 56 -3.376 6.505 -4.043 1.00 0.00 O ATOM 773 CB SER A 56 -1.959 7.210 -7.286 1.00 0.00 C ATOM 774 OG SER A 56 -1.834 8.475 -7.913 1.00 0.00 O ATOM 0 H SER A 56 -2.801 9.242 -6.193 1.00 0.00 H new ATOM 0 HA SER A 56 -4.018 6.798 -6.873 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.046 6.981 -6.736 1.00 0.00 H new ATOM 0 HB3 SER A 56 -2.077 6.435 -8.044 1.00 0.00 H new ATOM 0 HG SER A 56 -1.062 8.466 -8.516 1.00 0.00 H new ATOM 780 N GLY A 57 -2.067 5.228 -5.341 1.00 0.00 N ATOM 781 CA GLY A 57 -1.770 4.332 -4.252 1.00 0.00 C ATOM 782 C GLY A 57 -0.870 3.224 -4.676 1.00 0.00 C ATOM 783 O GLY A 57 0.340 3.399 -4.810 1.00 0.00 O ATOM 0 H GLY A 57 -1.625 4.995 -6.230 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.303 4.889 -3.440 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.698 3.916 -3.860 1.00 0.00 H new ATOM 787 N GLN A 58 -1.469 2.083 -4.910 1.00 0.00 N ATOM 788 CA GLN A 58 -0.734 0.936 -5.337 1.00 0.00 C ATOM 789 C GLN A 58 -0.335 1.104 -6.792 1.00 0.00 C ATOM 790 O GLN A 58 -1.077 0.732 -7.695 1.00 0.00 O ATOM 791 CB GLN A 58 -1.604 -0.283 -5.127 1.00 0.00 C ATOM 792 CG GLN A 58 -1.352 -0.921 -3.789 1.00 0.00 C ATOM 793 CD GLN A 58 -0.780 -2.320 -3.918 1.00 0.00 C ATOM 794 OE1 GLN A 58 0.435 -2.507 -3.963 1.00 0.00 O ATOM 795 NE2 GLN A 58 -1.659 -3.313 -3.969 1.00 0.00 N ATOM 0 H GLN A 58 -2.473 1.931 -4.809 1.00 0.00 H new ATOM 0 HA GLN A 58 0.183 0.816 -4.760 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.654 0.001 -5.203 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.412 -1.008 -5.918 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.663 -0.300 -3.217 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.285 -0.963 -3.227 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.658 -3.112 -3.928 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.335 -4.277 -4.049 1.00 0.00 H new ATOM 804 N LYS A 59 0.840 1.687 -7.007 1.00 0.00 N ATOM 805 CA LYS A 59 1.335 1.929 -8.345 1.00 0.00 C ATOM 806 C LYS A 59 1.582 0.598 -9.068 1.00 0.00 C ATOM 807 O LYS A 59 2.509 -0.128 -8.726 1.00 0.00 O ATOM 808 CB LYS A 59 2.619 2.757 -8.281 1.00 0.00 C ATOM 809 CG LYS A 59 2.931 3.500 -9.565 1.00 0.00 C ATOM 810 CD LYS A 59 3.916 4.627 -9.320 1.00 0.00 C ATOM 811 CE LYS A 59 3.279 5.987 -9.555 1.00 0.00 C ATOM 812 NZ LYS A 59 4.184 7.104 -9.163 1.00 0.00 N ATOM 0 H LYS A 59 1.465 2.000 -6.264 1.00 0.00 H new ATOM 0 HA LYS A 59 0.588 2.489 -8.907 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.536 3.477 -7.466 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.454 2.098 -8.041 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.342 2.807 -10.299 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.011 3.903 -9.988 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.288 4.570 -8.297 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.776 4.509 -9.979 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.016 6.087 -10.608 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.351 6.056 -8.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.710 8.013 -9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 4.415 7.025 -8.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.059 7.055 -9.723 1.00 0.00 H new ATOM 826 N PRO A 60 0.733 0.241 -10.044 1.00 0.00 N ATOM 827 CA PRO A 60 0.837 -1.028 -10.776 1.00 0.00 C ATOM 828 C PRO A 60 2.246 -1.480 -11.154 1.00 0.00 C ATOM 829 O PRO A 60 3.176 -0.682 -11.263 1.00 0.00 O ATOM 830 CB PRO A 60 0.029 -0.750 -12.039 1.00 0.00 C ATOM 831 CG PRO A 60 -1.020 0.217 -11.618 1.00 0.00 C ATOM 832 CD PRO A 60 -0.433 1.028 -10.491 1.00 0.00 C ATOM 0 HA PRO A 60 0.486 -1.846 -10.147 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.657 -0.333 -12.826 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -0.413 -1.665 -12.435 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.309 0.861 -12.449 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.919 -0.305 -11.292 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.137 2.021 -10.828 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -1.152 1.167 -9.684 1.00 0.00 H new ATOM 840 N CYS A 61 2.352 -2.791 -11.404 1.00 0.00 N ATOM 841 CA CYS A 61 3.591 -3.431 -11.827 1.00 0.00 C ATOM 842 C CYS A 61 3.309 -4.817 -12.401 1.00 0.00 C ATOM 843 O CYS A 61 2.311 -5.463 -12.059 1.00 0.00 O ATOM 844 CB CYS A 61 4.613 -3.555 -10.696 1.00 0.00 C ATOM 845 SG CYS A 61 3.929 -3.444 -9.014 1.00 0.00 S ATOM 0 H CYS A 61 1.569 -3.438 -11.316 1.00 0.00 H new ATOM 0 HA CYS A 61 4.021 -2.786 -12.593 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.129 -4.510 -10.798 1.00 0.00 H new ATOM 0 HB3 CYS A 61 5.362 -2.773 -10.818 1.00 0.00 H new ATOM 850 N GLY A 62 4.203 -5.266 -13.274 1.00 0.00 N ATOM 851 CA GLY A 62 4.059 -6.559 -13.903 1.00 0.00 C ATOM 852 C GLY A 62 4.254 -7.728 -12.951 1.00 0.00 C ATOM 853 O GLY A 62 4.240 -8.884 -13.377 1.00 0.00 O ATOM 0 H GLY A 62 5.034 -4.748 -13.558 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.067 -6.627 -14.349 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.781 -6.640 -14.716 1.00 0.00 H new ATOM 857 N SER A 63 4.449 -7.441 -11.667 1.00 0.00 N ATOM 858 CA SER A 63 4.654 -8.483 -10.688 1.00 0.00 C ATOM 859 C SER A 63 3.331 -8.928 -10.065 1.00 0.00 C ATOM 860 O SER A 63 3.177 -8.946 -8.844 1.00 0.00 O ATOM 861 CB SER A 63 5.625 -8.016 -9.603 1.00 0.00 C ATOM 862 OG SER A 63 6.044 -9.097 -8.789 1.00 0.00 O ATOM 0 H SER A 63 4.468 -6.494 -11.289 1.00 0.00 H new ATOM 0 HA SER A 63 5.088 -9.341 -11.201 1.00 0.00 H new ATOM 0 HB2 SER A 63 6.494 -7.548 -10.066 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.146 -7.257 -8.985 1.00 0.00 H new ATOM 0 HG SER A 63 7.022 -9.094 -8.719 1.00 0.00 H new ATOM 868 N GLY A 64 2.388 -9.302 -10.922 1.00 0.00 N ATOM 869 CA GLY A 64 1.097 -9.768 -10.460 1.00 0.00 C ATOM 870 C GLY A 64 0.372 -8.791 -9.564 1.00 0.00 C ATOM 871 O GLY A 64 -0.366 -9.193 -8.664 1.00 0.00 O ATOM 0 H GLY A 64 2.498 -9.290 -11.936 1.00 0.00 H new ATOM 0 HA2 GLY A 64 0.470 -9.985 -11.325 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.233 -10.706 -9.922 1.00 0.00 H new ATOM 875 N GLY A 65 0.561 -7.511 -9.815 1.00 0.00 N ATOM 876 CA GLY A 65 -0.106 -6.501 -9.027 1.00 0.00 C ATOM 877 C GLY A 65 0.474 -5.120 -9.126 1.00 0.00 C ATOM 878 O GLY A 65 1.041 -4.733 -10.147 1.00 0.00 O ATOM 0 H GLY A 65 1.166 -7.150 -10.553 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.152 -6.460 -9.330 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.089 -6.810 -7.982 1.00 0.00 H new ATOM 882 N ARG A 66 0.308 -4.367 -8.054 1.00 0.00 N ATOM 883 CA ARG A 66 0.794 -3.014 -7.995 1.00 0.00 C ATOM 884 C ARG A 66 1.828 -2.846 -6.888 1.00 0.00 C ATOM 885 O ARG A 66 1.836 -3.597 -5.917 1.00 0.00 O ATOM 886 CB ARG A 66 -0.336 -2.019 -7.760 1.00 0.00 C ATOM 887 CG ARG A 66 -1.704 -2.505 -8.216 1.00 0.00 C ATOM 888 CD ARG A 66 -1.702 -2.860 -9.687 1.00 0.00 C ATOM 889 NE ARG A 66 -3.049 -3.019 -10.224 1.00 0.00 N ATOM 890 CZ ARG A 66 -3.919 -2.022 -10.350 1.00 0.00 C ATOM 891 NH1 ARG A 66 -3.611 -0.807 -9.916 1.00 0.00 N ATOM 892 NH2 ARG A 66 -5.108 -2.242 -10.897 1.00 0.00 N ATOM 0 H ARG A 66 -0.166 -4.681 -7.207 1.00 0.00 H new ATOM 0 HA ARG A 66 1.255 -2.810 -8.961 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.383 -1.785 -6.696 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.101 -1.091 -8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.996 -3.377 -7.630 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.448 -1.731 -8.028 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.181 -2.082 -10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.144 -3.785 -9.834 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.340 -3.950 -10.520 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.703 -0.635 -9.484 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.282 -0.045 -10.015 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.355 -3.177 -11.221 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.775 -1.476 -10.993 1.00 0.00 H new ATOM 906 N CYS A 67 2.682 -1.840 -7.042 1.00 0.00 N ATOM 907 CA CYS A 67 3.714 -1.540 -6.064 1.00 0.00 C ATOM 908 C CYS A 67 3.082 -1.196 -4.730 1.00 0.00 C ATOM 909 O CYS A 67 1.943 -0.740 -4.672 1.00 0.00 O ATOM 910 CB CYS A 67 4.608 -0.398 -6.555 1.00 0.00 C ATOM 911 SG CYS A 67 6.113 -0.144 -5.554 1.00 0.00 S ATOM 0 H CYS A 67 2.676 -1.213 -7.847 1.00 0.00 H new ATOM 0 HA CYS A 67 4.340 -2.423 -5.933 1.00 0.00 H new ATOM 0 HB2 CYS A 67 4.900 -0.598 -7.586 1.00 0.00 H new ATOM 0 HB3 CYS A 67 4.029 0.525 -6.561 1.00 0.00 H new ATOM 916 N ALA A 68 3.806 -1.463 -3.660 1.00 0.00 N ATOM 917 CA ALA A 68 3.287 -1.219 -2.334 1.00 0.00 C ATOM 918 C ALA A 68 4.385 -0.854 -1.327 1.00 0.00 C ATOM 919 O ALA A 68 4.740 0.313 -1.178 1.00 0.00 O ATOM 920 CB ALA A 68 2.509 -2.456 -1.903 1.00 0.00 C ATOM 0 H ALA A 68 4.751 -1.847 -3.685 1.00 0.00 H new ATOM 0 HA ALA A 68 2.628 -0.351 -2.359 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.104 -2.301 -0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 68 1.692 -2.634 -2.602 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.174 -3.320 -1.895 1.00 0.00 H new ATOM 926 N ALA A 69 4.875 -1.859 -0.619 1.00 0.00 N ATOM 927 CA ALA A 69 5.910 -1.693 0.395 1.00 0.00 C ATOM 928 C ALA A 69 7.292 -1.509 -0.205 1.00 0.00 C ATOM 929 O ALA A 69 7.422 -1.356 -1.417 1.00 0.00 O ATOM 930 CB ALA A 69 5.902 -2.887 1.323 1.00 0.00 C ATOM 0 H ALA A 69 4.564 -2.824 -0.732 1.00 0.00 H new ATOM 0 HA ALA A 69 5.682 -0.783 0.950 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.675 -2.764 2.081 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.928 -2.965 1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 69 6.096 -3.794 0.751 1.00 0.00 H new ATOM 936 N ALA A 70 8.337 -1.521 0.654 1.00 0.00 N ATOM 937 CA ALA A 70 9.711 -1.365 0.169 1.00 0.00 C ATOM 938 C ALA A 70 9.904 -2.235 -1.039 1.00 0.00 C ATOM 939 O ALA A 70 10.203 -3.414 -0.895 1.00 0.00 O ATOM 940 CB ALA A 70 10.737 -1.780 1.208 1.00 0.00 C ATOM 0 H ALA A 70 8.251 -1.635 1.664 1.00 0.00 H new ATOM 0 HA ALA A 70 9.857 -0.310 -0.063 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.740 -1.647 0.802 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.621 -1.164 2.100 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.587 -2.828 1.469 1.00 0.00 H new ATOM 946 N GLY A 71 9.673 -1.696 -2.221 1.00 0.00 N ATOM 947 CA GLY A 71 9.789 -2.512 -3.390 1.00 0.00 C ATOM 948 C GLY A 71 8.911 -3.732 -3.263 1.00 0.00 C ATOM 949 O GLY A 71 9.391 -4.856 -3.155 1.00 0.00 O ATOM 0 H GLY A 71 9.412 -0.724 -2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 71 9.503 -1.939 -4.272 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.827 -2.815 -3.530 1.00 0.00 H new ATOM 953 N ILE A 72 7.620 -3.503 -3.285 1.00 0.00 N ATOM 954 CA ILE A 72 6.660 -4.566 -3.177 1.00 0.00 C ATOM 955 C ILE A 72 5.563 -4.352 -4.189 1.00 0.00 C ATOM 956 O ILE A 72 5.149 -3.233 -4.446 1.00 0.00 O ATOM 957 CB ILE A 72 6.038 -4.650 -1.762 1.00 0.00 C ATOM 958 CG1 ILE A 72 6.992 -5.338 -0.773 1.00 0.00 C ATOM 959 CG2 ILE A 72 4.681 -5.355 -1.783 1.00 0.00 C ATOM 960 CD1 ILE A 72 6.859 -6.846 -0.692 1.00 0.00 C ATOM 0 H ILE A 72 7.209 -2.574 -3.378 1.00 0.00 H new ATOM 0 HA ILE A 72 7.182 -5.504 -3.367 1.00 0.00 H new ATOM 0 HB ILE A 72 5.876 -3.627 -1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 72 8.017 -5.094 -1.052 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.824 -4.920 0.220 1.00 0.00 H new ATOM 0 HG21 ILE A 72 4.276 -5.395 -0.772 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.995 -4.805 -2.427 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.803 -6.369 -2.165 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.574 -7.236 0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.848 -7.106 -0.379 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.059 -7.282 -1.671 1.00 0.00 H new ATOM 972 N CYS A 73 5.100 -5.437 -4.744 1.00 0.00 N ATOM 973 CA CYS A 73 4.048 -5.411 -5.705 1.00 0.00 C ATOM 974 C CYS A 73 3.022 -6.419 -5.218 1.00 0.00 C ATOM 975 O CYS A 73 3.262 -7.628 -5.218 1.00 0.00 O ATOM 976 CB CYS A 73 4.608 -5.705 -7.109 1.00 0.00 C ATOM 977 SG CYS A 73 3.476 -5.360 -8.494 1.00 0.00 S ATOM 0 H CYS A 73 5.451 -6.372 -4.535 1.00 0.00 H new ATOM 0 HA CYS A 73 3.572 -4.435 -5.798 1.00 0.00 H new ATOM 0 HB2 CYS A 73 5.515 -5.117 -7.249 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.898 -6.755 -7.153 1.00 0.00 H new ATOM 982 N CYS A 74 1.935 -5.897 -4.668 1.00 0.00 N ATOM 983 CA CYS A 74 0.932 -6.735 -4.039 1.00 0.00 C ATOM 984 C CYS A 74 -0.155 -7.246 -4.973 1.00 0.00 C ATOM 985 O CYS A 74 -0.470 -6.646 -5.998 1.00 0.00 O ATOM 986 CB CYS A 74 0.328 -5.991 -2.855 1.00 0.00 C ATOM 987 SG CYS A 74 -0.188 -7.070 -1.486 1.00 0.00 S ATOM 0 H CYS A 74 1.728 -4.898 -4.646 1.00 0.00 H new ATOM 0 HA CYS A 74 1.449 -7.635 -3.706 1.00 0.00 H new ATOM 0 HB2 CYS A 74 1.057 -5.272 -2.482 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.535 -5.421 -3.200 1.00 0.00 H new ATOM 992 N SER A 75 -0.722 -8.382 -4.568 1.00 0.00 N ATOM 993 CA SER A 75 -1.777 -9.056 -5.292 1.00 0.00 C ATOM 994 C SER A 75 -3.001 -9.231 -4.387 1.00 0.00 C ATOM 995 O SER A 75 -2.990 -8.792 -3.234 1.00 0.00 O ATOM 996 CB SER A 75 -1.283 -10.415 -5.806 1.00 0.00 C ATOM 997 OG SER A 75 0.019 -10.310 -6.356 1.00 0.00 O ATOM 0 H SER A 75 -0.449 -8.861 -3.710 1.00 0.00 H new ATOM 0 HA SER A 75 -2.064 -8.450 -6.151 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.279 -11.137 -4.989 1.00 0.00 H new ATOM 0 HB3 SER A 75 -1.971 -10.793 -6.562 1.00 0.00 H new ATOM 0 HG SER A 75 0.007 -9.679 -7.106 1.00 0.00 H new ATOM 1003 N PRO A 76 -4.082 -9.856 -4.889 1.00 0.00 N ATOM 1004 CA PRO A 76 -5.310 -10.052 -4.107 1.00 0.00 C ATOM 1005 C PRO A 76 -5.154 -11.102 -3.006 1.00 0.00 C ATOM 1006 O PRO A 76 -6.028 -11.250 -2.153 1.00 0.00 O ATOM 1007 CB PRO A 76 -6.324 -10.557 -5.146 1.00 0.00 C ATOM 1008 CG PRO A 76 -5.696 -10.318 -6.478 1.00 0.00 C ATOM 1009 CD PRO A 76 -4.216 -10.387 -6.251 1.00 0.00 C ATOM 0 HA PRO A 76 -5.600 -9.133 -3.598 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -6.539 -11.615 -5.000 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -7.271 -10.024 -5.059 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.016 -11.068 -7.201 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.985 -9.346 -6.878 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.840 -11.407 -6.328 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -3.665 -9.789 -6.977 1.00 0.00 H new ATOM 1017 N ASP A 77 -4.039 -11.824 -3.024 1.00 0.00 N ATOM 1018 CA ASP A 77 -3.781 -12.855 -2.021 1.00 0.00 C ATOM 1019 C ASP A 77 -2.702 -12.403 -1.036 1.00 0.00 C ATOM 1020 O ASP A 77 -2.748 -12.743 0.145 1.00 0.00 O ATOM 1021 CB ASP A 77 -3.349 -14.154 -2.700 1.00 0.00 C ATOM 1022 CG ASP A 77 -4.280 -15.308 -2.387 1.00 0.00 C ATOM 1023 OD1 ASP A 77 -4.497 -15.586 -1.187 1.00 0.00 O ATOM 1024 OD2 ASP A 77 -4.795 -15.933 -3.337 1.00 0.00 O ATOM 0 H ASP A 77 -3.300 -11.716 -3.719 1.00 0.00 H new ATOM 0 HA ASP A 77 -4.704 -13.027 -1.468 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.313 -14.002 -3.779 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -2.339 -14.409 -2.380 1.00 0.00 H new ATOM 1029 N GLY A 78 -1.735 -11.636 -1.529 1.00 0.00 N ATOM 1030 CA GLY A 78 -0.663 -11.155 -0.687 1.00 0.00 C ATOM 1031 C GLY A 78 0.380 -10.386 -1.469 1.00 0.00 C ATOM 1032 O GLY A 78 0.348 -10.372 -2.700 1.00 0.00 O ATOM 0 H GLY A 78 -1.678 -11.339 -2.503 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -1.076 -10.514 0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.189 -12.000 -0.187 1.00 0.00 H new ATOM 1036 N CYS A 79 1.301 -9.730 -0.768 1.00 0.00 N ATOM 1037 CA CYS A 79 2.335 -8.961 -1.443 1.00 0.00 C ATOM 1038 C CYS A 79 3.615 -9.757 -1.653 1.00 0.00 C ATOM 1039 O CYS A 79 3.826 -10.807 -1.046 1.00 0.00 O ATOM 1040 CB CYS A 79 2.670 -7.684 -0.671 1.00 0.00 C ATOM 1041 SG CYS A 79 1.234 -6.739 -0.080 1.00 0.00 S ATOM 0 H CYS A 79 1.351 -9.716 0.251 1.00 0.00 H new ATOM 0 HA CYS A 79 1.924 -8.706 -2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 79 3.289 -7.948 0.186 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.271 -7.038 -1.311 1.00 0.00 H new ATOM 1046 N GLU A 80 4.476 -9.217 -2.510 1.00 0.00 N ATOM 1047 CA GLU A 80 5.758 -9.822 -2.816 1.00 0.00 C ATOM 1048 C GLU A 80 6.762 -8.733 -3.192 1.00 0.00 C ATOM 1049 O GLU A 80 6.405 -7.774 -3.877 1.00 0.00 O ATOM 1050 CB GLU A 80 5.618 -10.841 -3.950 1.00 0.00 C ATOM 1051 CG GLU A 80 5.292 -10.215 -5.298 1.00 0.00 C ATOM 1052 CD GLU A 80 6.364 -10.484 -6.339 1.00 0.00 C ATOM 1053 OE1 GLU A 80 7.382 -9.761 -6.346 1.00 0.00 O ATOM 1054 OE2 GLU A 80 6.184 -11.421 -7.144 1.00 0.00 O ATOM 0 H GLU A 80 4.300 -8.346 -3.010 1.00 0.00 H new ATOM 0 HA GLU A 80 6.120 -10.350 -1.934 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.547 -11.405 -4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 80 4.835 -11.554 -3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.338 -10.604 -5.654 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.171 -9.139 -5.175 1.00 0.00 H new ATOM 1061 N GLU A 81 8.008 -8.863 -2.737 1.00 0.00 N ATOM 1062 CA GLU A 81 9.014 -7.870 -3.033 1.00 0.00 C ATOM 1063 C GLU A 81 9.213 -7.763 -4.530 1.00 0.00 C ATOM 1064 O GLU A 81 9.595 -8.728 -5.188 1.00 0.00 O ATOM 1065 CB GLU A 81 10.320 -8.217 -2.323 1.00 0.00 C ATOM 1066 CG GLU A 81 10.641 -9.691 -2.314 1.00 0.00 C ATOM 1067 CD GLU A 81 10.744 -10.258 -0.911 1.00 0.00 C ATOM 1068 OE1 GLU A 81 9.808 -10.041 -0.115 1.00 0.00 O ATOM 1069 OE2 GLU A 81 11.763 -10.917 -0.608 1.00 0.00 O ATOM 0 H GLU A 81 8.333 -9.644 -2.167 1.00 0.00 H new ATOM 0 HA GLU A 81 8.680 -6.899 -2.667 1.00 0.00 H new ATOM 0 HB2 GLU A 81 11.137 -7.681 -2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.268 -7.861 -1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.870 -10.230 -2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 81 11.582 -9.857 -2.839 1.00 0.00 H new ATOM 1076 N ASP A 82 8.929 -6.584 -5.064 1.00 0.00 N ATOM 1077 CA ASP A 82 9.046 -6.351 -6.479 1.00 0.00 C ATOM 1078 C ASP A 82 10.365 -5.641 -6.820 1.00 0.00 C ATOM 1079 O ASP A 82 10.555 -4.464 -6.525 1.00 0.00 O ATOM 1080 CB ASP A 82 7.835 -5.551 -6.978 1.00 0.00 C ATOM 1081 CG ASP A 82 7.676 -4.233 -6.268 1.00 0.00 C ATOM 1082 OD1 ASP A 82 8.592 -3.861 -5.526 1.00 0.00 O ATOM 1083 OD2 ASP A 82 6.643 -3.562 -6.479 1.00 0.00 O ATOM 0 H ASP A 82 8.615 -5.775 -4.527 1.00 0.00 H new ATOM 0 HA ASP A 82 9.060 -7.314 -6.990 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.939 -5.372 -8.048 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.931 -6.144 -6.840 1.00 0.00 H new ATOM 1088 N PRO A 83 11.294 -6.377 -7.446 1.00 0.00 N ATOM 1089 CA PRO A 83 12.595 -5.869 -7.856 1.00 0.00 C ATOM 1090 C PRO A 83 12.427 -4.664 -8.750 1.00 0.00 C ATOM 1091 O PRO A 83 13.354 -3.902 -9.012 1.00 0.00 O ATOM 1092 CB PRO A 83 13.211 -7.048 -8.613 1.00 0.00 C ATOM 1093 CG PRO A 83 12.522 -8.232 -8.045 1.00 0.00 C ATOM 1094 CD PRO A 83 11.123 -7.766 -7.795 1.00 0.00 C ATOM 0 HA PRO A 83 13.217 -5.537 -7.025 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.044 -6.965 -9.687 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.289 -7.101 -8.461 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.542 -9.073 -8.738 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.000 -8.566 -7.124 1.00 0.00 H new ATOM 0 HD2 PRO A 83 10.495 -7.885 -8.678 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.650 -8.328 -6.990 1.00 0.00 H new ATOM 1102 N ALA A 84 11.208 -4.496 -9.174 1.00 0.00 N ATOM 1103 CA ALA A 84 10.821 -3.401 -9.982 1.00 0.00 C ATOM 1104 C ALA A 84 10.725 -2.135 -9.146 1.00 0.00 C ATOM 1105 O ALA A 84 10.868 -1.022 -9.652 1.00 0.00 O ATOM 1106 CB ALA A 84 9.482 -3.750 -10.586 1.00 0.00 C ATOM 0 H ALA A 84 10.446 -5.138 -8.956 1.00 0.00 H new ATOM 0 HA ALA A 84 11.556 -3.214 -10.765 1.00 0.00 H new ATOM 0 HB1 ALA A 84 9.144 -2.930 -11.220 1.00 0.00 H new ATOM 0 HB2 ALA A 84 9.578 -4.656 -11.185 1.00 0.00 H new ATOM 0 HB3 ALA A 84 8.756 -3.917 -9.790 1.00 0.00 H new ATOM 1112 N CYS A 85 10.397 -2.321 -7.867 1.00 0.00 N ATOM 1113 CA CYS A 85 10.188 -1.203 -6.974 1.00 0.00 C ATOM 1114 C CYS A 85 11.256 -0.943 -5.871 1.00 0.00 C ATOM 1115 O CYS A 85 11.359 0.215 -5.468 1.00 0.00 O ATOM 1116 CB CYS A 85 8.789 -1.291 -6.356 1.00 0.00 C ATOM 1117 SG CYS A 85 7.626 -0.003 -6.908 1.00 0.00 S ATOM 0 H CYS A 85 10.273 -3.237 -7.436 1.00 0.00 H new ATOM 0 HA CYS A 85 10.297 -0.333 -7.622 1.00 0.00 H new ATOM 0 HB2 CYS A 85 8.365 -2.268 -6.590 1.00 0.00 H new ATOM 0 HB3 CYS A 85 8.882 -1.235 -5.271 1.00 0.00 H new ATOM 1122 N ASP A 86 12.044 -1.928 -5.330 1.00 0.00 N ATOM 1123 CA ASP A 86 12.995 -1.503 -4.242 1.00 0.00 C ATOM 1124 C ASP A 86 13.860 -2.527 -3.443 1.00 0.00 C ATOM 1125 O ASP A 86 14.868 -2.113 -2.873 1.00 0.00 O ATOM 1126 CB ASP A 86 12.180 -0.829 -3.146 1.00 0.00 C ATOM 1127 CG ASP A 86 12.985 0.144 -2.306 1.00 0.00 C ATOM 1128 OD1 ASP A 86 13.874 -0.315 -1.556 1.00 0.00 O ATOM 1129 OD2 ASP A 86 12.718 1.359 -2.386 1.00 0.00 O ATOM 0 H ASP A 86 12.050 -2.914 -5.590 1.00 0.00 H new ATOM 0 HA ASP A 86 13.706 -0.927 -4.834 1.00 0.00 H new ATOM 0 HB2 ASP A 86 11.343 -0.299 -3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.757 -1.595 -2.496 1.00 0.00 H new ATOM 1134 N PRO A 87 13.464 -3.792 -3.221 1.00 0.00 N ATOM 1135 CA PRO A 87 14.194 -4.697 -2.329 1.00 0.00 C ATOM 1136 C PRO A 87 14.960 -5.737 -3.080 1.00 0.00 C ATOM 1137 O PRO A 87 16.183 -5.684 -3.207 1.00 0.00 O ATOM 1138 CB PRO A 87 13.033 -5.342 -1.555 1.00 0.00 C ATOM 1139 CG PRO A 87 11.797 -4.945 -2.311 1.00 0.00 C ATOM 1140 CD PRO A 87 12.267 -4.456 -3.652 1.00 0.00 C ATOM 0 HA PRO A 87 14.942 -4.194 -1.716 1.00 0.00 H new ATOM 0 HB2 PRO A 87 13.140 -6.426 -1.514 1.00 0.00 H new ATOM 0 HB3 PRO A 87 12.998 -4.986 -0.526 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.119 -5.791 -2.421 1.00 0.00 H new ATOM 0 HG3 PRO A 87 11.250 -4.165 -1.782 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.461 -5.266 -4.355 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.557 -3.782 -4.131 1.00 0.00 H new ATOM 1148 N GLU A 88 14.193 -6.639 -3.642 1.00 0.00 N ATOM 1149 CA GLU A 88 14.725 -7.670 -4.482 1.00 0.00 C ATOM 1150 C GLU A 88 15.196 -6.958 -5.747 1.00 0.00 C ATOM 1151 O GLU A 88 15.830 -7.523 -6.638 1.00 0.00 O ATOM 1152 CB GLU A 88 13.622 -8.695 -4.784 1.00 0.00 C ATOM 1153 CG GLU A 88 14.131 -10.021 -5.320 1.00 0.00 C ATOM 1154 CD GLU A 88 13.017 -11.036 -5.489 1.00 0.00 C ATOM 1155 OE1 GLU A 88 11.929 -10.827 -4.909 1.00 0.00 O ATOM 1156 OE2 GLU A 88 13.229 -12.036 -6.206 1.00 0.00 O ATOM 0 H GLU A 88 13.180 -6.674 -3.526 1.00 0.00 H new ATOM 0 HA GLU A 88 15.547 -8.216 -4.020 1.00 0.00 H new ATOM 0 HB2 GLU A 88 13.054 -8.879 -3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 88 12.931 -8.265 -5.509 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.621 -9.859 -6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.884 -10.420 -4.641 1.00 0.00 H new ATOM 1163 N ALA A 89 14.847 -5.673 -5.750 1.00 0.00 N ATOM 1164 CA ALA A 89 15.146 -4.703 -6.771 1.00 0.00 C ATOM 1165 C ALA A 89 16.595 -4.243 -6.717 1.00 0.00 C ATOM 1166 O ALA A 89 17.460 -4.894 -6.136 1.00 0.00 O ATOM 1167 CB ALA A 89 14.236 -3.512 -6.509 1.00 0.00 C ATOM 0 H ALA A 89 14.312 -5.267 -4.982 1.00 0.00 H new ATOM 0 HA ALA A 89 14.988 -5.145 -7.755 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.421 -2.741 -7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.195 -3.830 -6.565 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.440 -3.110 -5.516 1.00 0.00 H new ATOM 1173 N ALA A 90 16.811 -3.070 -7.289 1.00 0.00 N ATOM 1174 CA ALA A 90 18.095 -2.414 -7.290 1.00 0.00 C ATOM 1175 C ALA A 90 18.403 -2.009 -5.866 1.00 0.00 C ATOM 1176 O ALA A 90 17.594 -2.269 -4.975 1.00 0.00 O ATOM 1177 CB ALA A 90 18.033 -1.175 -8.157 1.00 0.00 C ATOM 0 H ALA A 90 16.083 -2.544 -7.772 1.00 0.00 H new ATOM 0 HA ALA A 90 18.864 -3.081 -7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 90 19.005 -0.681 -8.156 1.00 0.00 H new ATOM 0 HB2 ALA A 90 17.770 -1.457 -9.177 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.279 -0.493 -7.764 1.00 0.00 H new ATOM 1183 N PHE A 91 19.528 -1.346 -5.630 1.00 0.00 N ATOM 1184 CA PHE A 91 19.823 -0.900 -4.275 1.00 0.00 C ATOM 1185 C PHE A 91 18.931 0.300 -3.983 1.00 0.00 C ATOM 1186 O PHE A 91 19.403 1.416 -3.757 1.00 0.00 O ATOM 1187 CB PHE A 91 21.299 -0.518 -4.138 1.00 0.00 C ATOM 1188 CG PHE A 91 21.809 -0.611 -2.730 1.00 0.00 C ATOM 1189 CD1 PHE A 91 21.385 0.286 -1.764 1.00 0.00 C ATOM 1190 CD2 PHE A 91 22.706 -1.602 -2.371 1.00 0.00 C ATOM 1191 CE1 PHE A 91 21.847 0.197 -0.467 1.00 0.00 C ATOM 1192 CE2 PHE A 91 23.171 -1.698 -1.074 1.00 0.00 C ATOM 1193 CZ PHE A 91 22.741 -0.797 -0.120 1.00 0.00 C ATOM 0 H PHE A 91 20.230 -1.111 -6.332 1.00 0.00 H new ATOM 0 HA PHE A 91 19.630 -1.702 -3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 91 21.896 -1.169 -4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 91 21.439 0.500 -4.501 1.00 0.00 H new ATOM 0 HD1 PHE A 91 20.685 1.064 -2.029 1.00 0.00 H new ATOM 0 HD2 PHE A 91 23.046 -2.308 -3.114 1.00 0.00 H new ATOM 0 HE1 PHE A 91 21.510 0.904 0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 91 23.870 -2.477 -0.806 1.00 0.00 H new ATOM 0 HZ PHE A 91 23.103 -0.869 0.895 1.00 0.00 H new ATOM 1203 N SER A 92 17.626 0.039 -4.020 1.00 0.00 N ATOM 1204 CA SER A 92 16.605 1.048 -3.803 1.00 0.00 C ATOM 1205 C SER A 92 16.095 1.026 -2.364 1.00 0.00 C ATOM 1206 O SER A 92 16.341 0.023 -1.662 1.00 0.00 O ATOM 1207 CB SER A 92 15.455 0.819 -4.796 1.00 0.00 C ATOM 1208 OG SER A 92 14.240 1.353 -4.307 1.00 0.00 O ATOM 1209 OXT SER A 92 15.447 2.013 -1.952 1.00 0.00 O ATOM 0 H SER A 92 17.249 -0.891 -4.204 1.00 0.00 H new ATOM 0 HA SER A 92 17.040 2.033 -3.971 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.700 1.282 -5.752 1.00 0.00 H new ATOM 0 HB3 SER A 92 15.338 -0.249 -4.980 1.00 0.00 H new ATOM 0 HG SER A 92 14.408 1.836 -3.471 1.00 0.00 H new TER 1215 SER A 92