USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 420 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 42 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.077) USER MOD Single : A 14 THR OG1 : rot -110:sc= -1 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 134:sc= 0.138 (180deg=-3!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -153:sc= 0.0485 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc=-0.00414 K(o=-0.0041,f=-1.1) USER MOD Single : A 33 SER OG : rot -49:sc= 1.19 USER MOD Single : A 34 LYS NZ :NH3+ 177:sc= -4.48 (180deg=-4.49) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 145:sc= -0.0473 (180deg=-1.33) USER MOD Single : A 52 SER OG : rot 76:sc= 0.598 USER MOD Single : A 59 GLN : amide:sc= -0.747 X(o=-0.75,f=-0.27) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.0846) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 11 -11.320 -11.783 -5.226 1.00 0.00 N ATOM 2 CA GLN A 11 -10.397 -12.653 -4.451 1.00 0.00 C ATOM 3 C GLN A 11 -10.300 -12.199 -2.997 1.00 0.00 C ATOM 4 O GLN A 11 -10.550 -11.036 -2.682 1.00 0.00 O ATOM 5 CB GLN A 11 -9.018 -12.611 -5.111 1.00 0.00 C ATOM 6 CG GLN A 11 -8.781 -13.743 -6.097 1.00 0.00 C ATOM 7 CD GLN A 11 -7.383 -14.319 -5.999 1.00 0.00 C ATOM 8 OE1 GLN A 11 -6.683 -14.456 -7.003 1.00 0.00 O ATOM 9 NE2 GLN A 11 -6.967 -14.659 -4.784 1.00 0.00 N ATOM 0 HA GLN A 11 -10.783 -13.673 -4.451 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.901 -11.659 -5.629 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -8.252 -12.649 -4.336 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.509 -14.534 -5.918 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.949 -13.378 -7.110 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.580 -14.528 -3.980 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.034 -15.051 -4.655 1.00 0.00 H new ATOM 18 N ALA A 12 -9.935 -13.126 -2.117 1.00 0.00 N ATOM 19 CA ALA A 12 -9.804 -12.821 -0.697 1.00 0.00 C ATOM 20 C ALA A 12 -8.515 -12.057 -0.416 1.00 0.00 C ATOM 21 O ALA A 12 -7.425 -12.509 -0.765 1.00 0.00 O ATOM 22 CB ALA A 12 -9.852 -14.103 0.123 1.00 0.00 C ATOM 0 H ALA A 12 -9.725 -14.094 -2.362 1.00 0.00 H new ATOM 0 HA ALA A 12 -10.641 -12.185 -0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.753 -13.862 1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.803 -14.608 -0.047 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.034 -14.758 -0.178 1.00 0.00 H new ATOM 28 N CYS A 13 -8.650 -10.896 0.216 1.00 0.00 N ATOM 29 CA CYS A 13 -7.498 -10.064 0.544 1.00 0.00 C ATOM 30 C CYS A 13 -7.380 -9.879 2.056 1.00 0.00 C ATOM 31 O CYS A 13 -8.373 -9.937 2.778 1.00 0.00 O ATOM 32 CB CYS A 13 -7.614 -8.703 -0.159 1.00 0.00 C ATOM 33 SG CYS A 13 -6.664 -7.351 0.616 1.00 0.00 S ATOM 0 H CYS A 13 -9.547 -10.510 0.512 1.00 0.00 H new ATOM 0 HA CYS A 13 -6.595 -10.564 0.192 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -7.282 -8.815 -1.191 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -8.665 -8.416 -0.191 1.00 0.00 H new ATOM 38 N THR A 14 -6.156 -9.653 2.522 1.00 0.00 N ATOM 39 CA THR A 14 -5.904 -9.455 3.944 1.00 0.00 C ATOM 40 C THR A 14 -5.777 -7.970 4.269 1.00 0.00 C ATOM 41 O THR A 14 -4.858 -7.297 3.802 1.00 0.00 O ATOM 42 CB THR A 14 -4.632 -10.192 4.364 1.00 0.00 C ATOM 43 OG1 THR A 14 -4.427 -10.082 5.762 1.00 0.00 O ATOM 44 CG2 THR A 14 -3.385 -9.677 3.676 1.00 0.00 C ATOM 0 H THR A 14 -5.323 -9.602 1.935 1.00 0.00 H new ATOM 0 HA THR A 14 -6.750 -9.860 4.500 1.00 0.00 H new ATOM 0 HB THR A 14 -4.789 -11.229 4.067 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.654 -9.505 5.935 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.520 -10.244 4.020 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.490 -9.794 2.597 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.247 -8.623 3.915 1.00 0.00 H new ATOM 52 N LEU A 15 -6.705 -7.466 5.075 1.00 0.00 N ATOM 53 CA LEU A 15 -6.699 -6.061 5.466 1.00 0.00 C ATOM 54 C LEU A 15 -5.386 -5.696 6.157 1.00 0.00 C ATOM 55 O LEU A 15 -4.667 -6.571 6.637 1.00 0.00 O ATOM 56 CB LEU A 15 -7.878 -5.762 6.397 1.00 0.00 C ATOM 57 CG LEU A 15 -8.176 -6.847 7.435 1.00 0.00 C ATOM 58 CD1 LEU A 15 -8.509 -6.220 8.782 1.00 0.00 C ATOM 59 CD2 LEU A 15 -9.316 -7.741 6.963 1.00 0.00 C ATOM 0 H LEU A 15 -7.472 -8.010 5.471 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.796 -5.458 4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.680 -4.826 6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.770 -5.607 5.790 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.285 -7.463 7.554 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.718 -7.006 9.508 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.663 -5.625 9.125 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.385 -5.579 8.679 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.513 -8.506 7.714 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.212 -7.139 6.814 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.039 -8.218 6.023 1.00 0.00 H new ATOM 71 N PRO A 16 -5.056 -4.394 6.220 1.00 0.00 N ATOM 72 CA PRO A 16 -3.826 -3.920 6.861 1.00 0.00 C ATOM 73 C PRO A 16 -3.654 -4.490 8.265 1.00 0.00 C ATOM 74 O PRO A 16 -2.535 -4.610 8.764 1.00 0.00 O ATOM 75 CB PRO A 16 -4.000 -2.393 6.916 1.00 0.00 C ATOM 76 CG PRO A 16 -5.426 -2.134 6.551 1.00 0.00 C ATOM 77 CD PRO A 16 -5.848 -3.281 5.681 1.00 0.00 C ATOM 0 HA PRO A 16 -2.938 -4.233 6.312 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.775 -2.009 7.911 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.322 -1.897 6.222 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.051 -2.070 7.442 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.527 -1.186 6.022 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.919 -3.472 5.752 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.626 -3.096 4.630 1.00 0.00 H new ATOM 85 N ASN A 17 -4.769 -4.845 8.896 1.00 0.00 N ATOM 86 CA ASN A 17 -4.741 -5.409 10.241 1.00 0.00 C ATOM 87 C ASN A 17 -4.512 -6.919 10.199 1.00 0.00 C ATOM 88 O ASN A 17 -4.160 -7.530 11.209 1.00 0.00 O ATOM 89 CB ASN A 17 -6.050 -5.097 10.972 1.00 0.00 C ATOM 90 CG ASN A 17 -5.825 -4.319 12.254 1.00 0.00 C ATOM 91 OD1 ASN A 17 -5.684 -3.096 12.235 1.00 0.00 O ATOM 92 ND2 ASN A 17 -5.788 -5.025 13.377 1.00 0.00 N ATOM 0 H ASN A 17 -5.703 -4.752 8.497 1.00 0.00 H new ATOM 0 HA ASN A 17 -3.912 -4.953 10.782 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.703 -4.525 10.313 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.566 -6.029 11.202 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -5.638 -4.555 14.270 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.910 -6.037 13.347 1.00 0.00 H new ATOM 99 N ASN A 18 -4.713 -7.517 9.026 1.00 0.00 N ATOM 100 CA ASN A 18 -4.528 -8.956 8.852 1.00 0.00 C ATOM 101 C ASN A 18 -5.623 -9.741 9.566 1.00 0.00 C ATOM 102 O ASN A 18 -5.458 -10.151 10.716 1.00 0.00 O ATOM 103 CB ASN A 18 -3.152 -9.386 9.369 1.00 0.00 C ATOM 104 CG ASN A 18 -2.480 -10.391 8.455 1.00 0.00 C ATOM 105 OD1 ASN A 18 -2.792 -11.581 8.485 1.00 0.00 O ATOM 106 ND2 ASN A 18 -1.549 -9.915 7.636 1.00 0.00 N ATOM 0 H ASN A 18 -5.004 -7.026 8.181 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.590 -9.174 7.786 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.514 -8.508 9.470 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.259 -9.819 10.364 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.061 -10.544 6.998 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.322 -8.921 7.645 1.00 0.00 H new ATOM 113 N ASP A 19 -6.742 -9.946 8.879 1.00 0.00 N ATOM 114 CA ASP A 19 -7.865 -10.683 9.447 1.00 0.00 C ATOM 115 C ASP A 19 -8.727 -11.303 8.348 1.00 0.00 C ATOM 116 O ASP A 19 -9.913 -11.561 8.551 1.00 0.00 O ATOM 117 CB ASP A 19 -8.717 -9.758 10.320 1.00 0.00 C ATOM 118 CG ASP A 19 -9.057 -10.382 11.659 1.00 0.00 C ATOM 119 OD1 ASP A 19 -8.120 -10.695 12.423 1.00 0.00 O ATOM 120 OD2 ASP A 19 -10.260 -10.557 11.945 1.00 0.00 O ATOM 0 H ASP A 19 -6.895 -9.612 7.928 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.464 -11.488 10.063 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.182 -8.822 10.483 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.638 -9.511 9.792 1.00 0.00 H new ATOM 125 N LYS A 20 -8.123 -11.542 7.186 1.00 0.00 N ATOM 126 CA LYS A 20 -8.837 -12.132 6.058 1.00 0.00 C ATOM 127 C LYS A 20 -9.967 -11.223 5.589 1.00 0.00 C ATOM 128 O LYS A 20 -10.673 -10.624 6.400 1.00 0.00 O ATOM 129 CB LYS A 20 -9.398 -13.504 6.443 1.00 0.00 C ATOM 130 CG LYS A 20 -8.377 -14.416 7.103 1.00 0.00 C ATOM 131 CD LYS A 20 -9.011 -15.266 8.192 1.00 0.00 C ATOM 132 CE LYS A 20 -9.346 -14.437 9.421 1.00 0.00 C ATOM 133 NZ LYS A 20 -10.742 -13.922 9.380 1.00 0.00 N ATOM 0 H LYS A 20 -7.141 -11.336 7.002 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.129 -12.252 5.238 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -10.241 -13.366 7.121 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.785 -13.993 5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.926 -15.063 6.351 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.574 -13.816 7.530 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.918 -15.733 7.809 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.330 -16.071 8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.209 -15.043 10.316 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.652 -13.600 9.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -11.197 -14.077 10.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.730 -12.904 9.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.276 -14.424 8.642 1.00 0.00 H new ATOM 147 N GLY A 21 -10.133 -11.122 4.274 1.00 0.00 N ATOM 148 CA GLY A 21 -11.180 -10.281 3.724 1.00 0.00 C ATOM 149 C GLY A 21 -11.395 -10.509 2.239 1.00 0.00 C ATOM 150 O GLY A 21 -11.069 -11.573 1.713 1.00 0.00 O ATOM 0 H GLY A 21 -9.563 -11.606 3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.112 -10.474 4.256 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.927 -9.235 3.894 1.00 0.00 H new ATOM 154 N THR A 22 -11.947 -9.505 1.567 1.00 0.00 N ATOM 155 CA THR A 22 -12.212 -9.589 0.135 1.00 0.00 C ATOM 156 C THR A 22 -11.580 -8.410 -0.599 1.00 0.00 C ATOM 157 O THR A 22 -11.494 -7.309 -0.059 1.00 0.00 O ATOM 158 CB THR A 22 -13.717 -9.620 -0.127 1.00 0.00 C ATOM 159 OG1 THR A 22 -14.363 -10.514 0.761 1.00 0.00 O ATOM 160 CG2 THR A 22 -14.071 -10.041 -1.539 1.00 0.00 C ATOM 0 H THR A 22 -12.221 -8.620 1.993 1.00 0.00 H new ATOM 0 HA THR A 22 -11.769 -10.512 -0.240 1.00 0.00 H new ATOM 0 HB THR A 22 -14.057 -8.596 0.026 1.00 0.00 H new ATOM 0 HG1 THR A 22 -15.326 -10.518 0.578 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.155 -10.042 -1.658 1.00 0.00 H new ATOM 0 HG22 THR A 22 -13.629 -9.342 -2.249 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.685 -11.043 -1.728 1.00 0.00 H new ATOM 168 N CYS A 23 -11.133 -8.646 -1.828 1.00 0.00 N ATOM 169 CA CYS A 23 -10.505 -7.598 -2.623 1.00 0.00 C ATOM 170 C CYS A 23 -11.295 -7.321 -3.898 1.00 0.00 C ATOM 171 O CYS A 23 -11.508 -8.214 -4.718 1.00 0.00 O ATOM 172 CB CYS A 23 -9.068 -7.986 -2.975 1.00 0.00 C ATOM 173 SG CYS A 23 -7.849 -6.664 -2.679 1.00 0.00 S ATOM 0 H CYS A 23 -11.194 -9.551 -2.294 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.494 -6.688 -2.024 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.786 -8.863 -2.392 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -9.028 -8.275 -4.025 1.00 0.00 H new ATOM 178 N LYS A 24 -11.724 -6.073 -4.053 1.00 0.00 N ATOM 179 CA LYS A 24 -12.487 -5.660 -5.223 1.00 0.00 C ATOM 180 C LYS A 24 -12.134 -4.229 -5.613 1.00 0.00 C ATOM 181 O LYS A 24 -11.463 -3.520 -4.864 1.00 0.00 O ATOM 182 CB LYS A 24 -13.987 -5.772 -4.945 1.00 0.00 C ATOM 183 CG LYS A 24 -14.403 -5.180 -3.609 1.00 0.00 C ATOM 184 CD LYS A 24 -15.916 -5.081 -3.489 1.00 0.00 C ATOM 185 CE LYS A 24 -16.521 -6.374 -2.968 1.00 0.00 C ATOM 186 NZ LYS A 24 -17.449 -6.132 -1.829 1.00 0.00 N ATOM 0 H LYS A 24 -11.555 -5.327 -3.378 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.231 -6.321 -6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.534 -5.269 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -14.276 -6.823 -4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -14.013 -5.797 -2.799 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.963 -4.189 -3.496 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.176 -4.261 -2.819 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -16.344 -4.845 -4.463 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -17.058 -6.874 -3.774 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.724 -7.046 -2.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.483 -6.977 -1.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -17.112 -5.320 -1.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -18.401 -5.929 -2.194 1.00 0.00 H new ATOM 200 N SER A 25 -12.592 -3.806 -6.787 1.00 0.00 N ATOM 201 CA SER A 25 -12.318 -2.456 -7.267 1.00 0.00 C ATOM 202 C SER A 25 -12.872 -1.417 -6.297 1.00 0.00 C ATOM 203 O SER A 25 -13.520 -1.760 -5.310 1.00 0.00 O ATOM 204 CB SER A 25 -12.927 -2.251 -8.655 1.00 0.00 C ATOM 205 OG SER A 25 -11.989 -2.549 -9.674 1.00 0.00 O ATOM 0 H SER A 25 -13.152 -4.376 -7.421 1.00 0.00 H new ATOM 0 HA SER A 25 -11.237 -2.330 -7.332 1.00 0.00 H new ATOM 0 HB2 SER A 25 -13.805 -2.887 -8.768 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.265 -1.220 -8.758 1.00 0.00 H new ATOM 0 HG SER A 25 -12.404 -2.412 -10.551 1.00 0.00 H new ATOM 211 N LEU A 26 -12.614 -0.147 -6.587 1.00 0.00 N ATOM 212 CA LEU A 26 -13.089 0.940 -5.740 1.00 0.00 C ATOM 213 C LEU A 26 -14.405 1.504 -6.267 1.00 0.00 C ATOM 214 O LEU A 26 -14.684 2.696 -6.121 1.00 0.00 O ATOM 215 CB LEU A 26 -12.039 2.050 -5.660 1.00 0.00 C ATOM 216 CG LEU A 26 -11.579 2.606 -7.011 1.00 0.00 C ATOM 217 CD1 LEU A 26 -12.044 4.044 -7.187 1.00 0.00 C ATOM 218 CD2 LEU A 26 -10.066 2.514 -7.141 1.00 0.00 C ATOM 0 H LEU A 26 -12.079 0.155 -7.401 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.260 0.540 -4.740 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.443 2.869 -5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.169 1.668 -5.126 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.029 2.002 -7.799 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.707 4.420 -8.153 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.132 4.082 -7.143 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.626 4.661 -6.392 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -9.759 2.914 -8.107 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -9.597 3.091 -6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -9.757 1.471 -7.065 1.00 0.00 H new ATOM 230 N LEU A 27 -15.212 0.643 -6.879 1.00 0.00 N ATOM 231 CA LEU A 27 -16.499 1.057 -7.425 1.00 0.00 C ATOM 232 C LEU A 27 -17.548 -0.032 -7.232 1.00 0.00 C ATOM 233 O LEU A 27 -18.458 -0.185 -8.046 1.00 0.00 O ATOM 234 CB LEU A 27 -16.361 1.391 -8.913 1.00 0.00 C ATOM 235 CG LEU A 27 -15.221 2.349 -9.260 1.00 0.00 C ATOM 236 CD1 LEU A 27 -14.879 2.257 -10.738 1.00 0.00 C ATOM 237 CD2 LEU A 27 -15.594 3.776 -8.885 1.00 0.00 C ATOM 0 H LEU A 27 -14.997 -0.346 -7.009 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.824 1.948 -6.888 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.216 0.463 -9.466 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.298 1.826 -9.260 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.340 2.061 -8.686 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -14.066 2.946 -10.967 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.571 1.239 -10.978 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.755 2.520 -11.331 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.772 4.445 -9.138 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.487 4.075 -9.433 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.790 3.831 -7.814 1.00 0.00 H new ATOM 249 N GLN A 28 -17.414 -0.789 -6.147 1.00 0.00 N ATOM 250 CA GLN A 28 -18.351 -1.866 -5.846 1.00 0.00 C ATOM 251 C GLN A 28 -18.673 -1.903 -4.355 1.00 0.00 C ATOM 252 O GLN A 28 -19.837 -1.986 -3.964 1.00 0.00 O ATOM 253 CB GLN A 28 -17.773 -3.212 -6.288 1.00 0.00 C ATOM 254 CG GLN A 28 -17.487 -3.290 -7.779 1.00 0.00 C ATOM 255 CD GLN A 28 -17.062 -4.678 -8.219 1.00 0.00 C ATOM 256 OE1 GLN A 28 -17.322 -5.667 -7.532 1.00 0.00 O ATOM 257 NE2 GLN A 28 -16.403 -4.759 -9.368 1.00 0.00 N ATOM 0 H GLN A 28 -16.666 -0.677 -5.462 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.273 -1.677 -6.395 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.850 -3.400 -5.739 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -18.471 -4.004 -6.018 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -18.378 -2.994 -8.332 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -16.703 -2.576 -8.033 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -16.209 -3.914 -9.905 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.091 -5.666 -9.714 1.00 0.00 H new ATOM 266 N CYS A 29 -17.634 -1.843 -3.529 1.00 0.00 N ATOM 267 CA CYS A 29 -17.808 -1.870 -2.081 1.00 0.00 C ATOM 268 C CYS A 29 -18.584 -0.648 -1.603 1.00 0.00 C ATOM 269 O CYS A 29 -18.212 0.488 -1.891 1.00 0.00 O ATOM 270 CB CYS A 29 -16.445 -1.930 -1.386 1.00 0.00 C ATOM 271 SG CYS A 29 -16.377 -3.091 0.016 1.00 0.00 S ATOM 0 H CYS A 29 -16.664 -1.775 -3.837 1.00 0.00 H new ATOM 0 HA CYS A 29 -18.379 -2.762 -1.824 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.688 -2.215 -2.117 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -16.186 -0.933 -1.031 1.00 0.00 H new ATOM 276 N ASP A 30 -19.665 -0.891 -0.870 1.00 0.00 N ATOM 277 CA ASP A 30 -20.496 0.189 -0.351 1.00 0.00 C ATOM 278 C ASP A 30 -19.693 1.091 0.582 1.00 0.00 C ATOM 279 O ASP A 30 -19.894 2.305 0.611 1.00 0.00 O ATOM 280 CB ASP A 30 -21.709 -0.383 0.387 1.00 0.00 C ATOM 281 CG ASP A 30 -23.021 0.001 -0.273 1.00 0.00 C ATOM 282 OD1 ASP A 30 -23.057 1.044 -0.960 1.00 0.00 O ATOM 283 OD2 ASP A 30 -24.010 -0.741 -0.103 1.00 0.00 O ATOM 0 H ASP A 30 -19.986 -1.827 -0.622 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.843 0.787 -1.194 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -21.629 -1.469 0.425 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -21.706 -0.027 1.417 1.00 0.00 H new ATOM 288 N VAL A 31 -18.784 0.488 1.338 1.00 0.00 N ATOM 289 CA VAL A 31 -17.949 1.233 2.271 1.00 0.00 C ATOM 290 C VAL A 31 -17.032 2.204 1.534 1.00 0.00 C ATOM 291 O VAL A 31 -16.849 3.346 1.952 1.00 0.00 O ATOM 292 CB VAL A 31 -17.089 0.290 3.136 1.00 0.00 C ATOM 293 CG1 VAL A 31 -17.973 -0.568 4.028 1.00 0.00 C ATOM 294 CG2 VAL A 31 -16.203 -0.580 2.257 1.00 0.00 C ATOM 0 H VAL A 31 -18.606 -0.516 1.323 1.00 0.00 H new ATOM 0 HA VAL A 31 -18.624 1.793 2.919 1.00 0.00 H new ATOM 0 HB VAL A 31 -16.446 0.896 3.774 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.350 -1.228 4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -18.562 0.074 4.683 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.642 -1.167 3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -15.603 -1.239 2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -16.826 -1.179 1.593 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -15.545 0.054 1.663 1.00 0.00 H new ATOM 304 N ALA A 32 -16.458 1.742 0.434 1.00 0.00 N ATOM 305 CA ALA A 32 -15.563 2.571 -0.362 1.00 0.00 C ATOM 306 C ALA A 32 -16.308 3.746 -0.983 1.00 0.00 C ATOM 307 O ALA A 32 -15.772 4.849 -1.088 1.00 0.00 O ATOM 308 CB ALA A 32 -14.888 1.738 -1.442 1.00 0.00 C ATOM 0 H ALA A 32 -16.595 0.799 0.071 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.796 2.972 0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.223 2.372 -2.028 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.311 0.938 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.646 1.306 -2.095 1.00 0.00 H new ATOM 314 N SER A 33 -17.545 3.500 -1.399 1.00 0.00 N ATOM 315 CA SER A 33 -18.364 4.536 -2.017 1.00 0.00 C ATOM 316 C SER A 33 -18.773 5.601 -1.004 1.00 0.00 C ATOM 317 O SER A 33 -18.841 6.786 -1.331 1.00 0.00 O ATOM 318 CB SER A 33 -19.611 3.915 -2.651 1.00 0.00 C ATOM 319 OG SER A 33 -20.589 3.621 -1.668 1.00 0.00 O ATOM 0 H SER A 33 -18.003 2.592 -1.320 1.00 0.00 H new ATOM 0 HA SER A 33 -17.765 5.016 -2.791 1.00 0.00 H new ATOM 0 HB2 SER A 33 -20.027 4.600 -3.389 1.00 0.00 H new ATOM 0 HB3 SER A 33 -19.338 3.003 -3.181 1.00 0.00 H new ATOM 0 HG SER A 33 -20.172 3.132 -0.928 1.00 0.00 H new ATOM 325 N LYS A 34 -19.046 5.174 0.222 1.00 0.00 N ATOM 326 CA LYS A 34 -19.453 6.100 1.274 1.00 0.00 C ATOM 327 C LYS A 34 -18.288 6.989 1.702 1.00 0.00 C ATOM 328 O LYS A 34 -18.484 8.147 2.071 1.00 0.00 O ATOM 329 CB LYS A 34 -20.007 5.332 2.479 1.00 0.00 C ATOM 330 CG LYS A 34 -18.961 4.544 3.245 1.00 0.00 C ATOM 331 CD LYS A 34 -19.436 4.205 4.647 1.00 0.00 C ATOM 332 CE LYS A 34 -18.287 3.745 5.529 1.00 0.00 C ATOM 333 NZ LYS A 34 -17.512 2.640 4.902 1.00 0.00 N ATOM 0 H LYS A 34 -18.994 4.198 0.513 1.00 0.00 H new ATOM 0 HA LYS A 34 -20.240 6.740 0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -20.484 6.038 3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -20.782 4.647 2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -18.729 3.625 2.706 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.038 5.122 3.302 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.911 5.079 5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -20.193 3.422 4.596 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.623 4.586 5.728 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -18.678 3.413 6.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.708 2.390 5.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.127 1.810 4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.159 2.947 3.973 1.00 0.00 H new ATOM 347 N ILE A 35 -17.076 6.445 1.646 1.00 0.00 N ATOM 348 CA ILE A 35 -15.886 7.199 2.026 1.00 0.00 C ATOM 349 C ILE A 35 -15.597 8.303 1.011 1.00 0.00 C ATOM 350 O ILE A 35 -15.147 9.391 1.374 1.00 0.00 O ATOM 351 CB ILE A 35 -14.651 6.279 2.156 1.00 0.00 C ATOM 352 CG1 ILE A 35 -14.848 5.289 3.307 1.00 0.00 C ATOM 353 CG2 ILE A 35 -13.385 7.099 2.368 1.00 0.00 C ATOM 354 CD1 ILE A 35 -14.833 5.938 4.675 1.00 0.00 C ATOM 0 H ILE A 35 -16.892 5.489 1.342 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.086 7.649 2.998 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.540 5.719 1.228 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -15.797 4.771 3.171 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -14.063 4.534 3.264 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -12.529 6.430 2.457 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.237 7.767 1.519 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.481 7.688 3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -14.978 5.176 5.441 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.875 6.433 4.832 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -15.635 6.673 4.738 1.00 0.00 H new ATOM 366 N ILE A 36 -15.860 8.018 -0.258 1.00 0.00 N ATOM 367 CA ILE A 36 -15.632 8.987 -1.323 1.00 0.00 C ATOM 368 C ILE A 36 -16.658 10.115 -1.261 1.00 0.00 C ATOM 369 O ILE A 36 -16.369 11.252 -1.635 1.00 0.00 O ATOM 370 CB ILE A 36 -15.695 8.320 -2.713 1.00 0.00 C ATOM 371 CG1 ILE A 36 -14.672 7.182 -2.802 1.00 0.00 C ATOM 372 CG2 ILE A 36 -15.456 9.346 -3.814 1.00 0.00 C ATOM 373 CD1 ILE A 36 -13.241 7.654 -2.942 1.00 0.00 C ATOM 0 H ILE A 36 -16.232 7.123 -0.575 1.00 0.00 H new ATOM 0 HA ILE A 36 -14.633 9.398 -1.174 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.692 7.902 -2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.754 6.562 -1.909 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -14.921 6.549 -3.654 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.505 8.855 -4.786 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -16.220 10.122 -3.761 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.472 9.797 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.577 6.791 -2.999 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -13.141 8.249 -3.850 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -12.972 8.262 -2.078 1.00 0.00 H new ATOM 385 N SER A 37 -17.857 9.791 -0.785 1.00 0.00 N ATOM 386 CA SER A 37 -18.926 10.776 -0.671 1.00 0.00 C ATOM 387 C SER A 37 -18.992 11.365 0.737 1.00 0.00 C ATOM 388 O SER A 37 -19.666 12.369 0.967 1.00 0.00 O ATOM 389 CB SER A 37 -20.271 10.141 -1.033 1.00 0.00 C ATOM 390 OG SER A 37 -20.739 9.308 0.014 1.00 0.00 O ATOM 0 H SER A 37 -18.112 8.854 -0.472 1.00 0.00 H new ATOM 0 HA SER A 37 -18.709 11.585 -1.368 1.00 0.00 H new ATOM 0 HB2 SER A 37 -21.003 10.923 -1.235 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.167 9.557 -1.948 1.00 0.00 H new ATOM 0 HG SER A 37 -21.600 8.915 -0.240 1.00 0.00 H new ATOM 396 N LYS A 38 -18.293 10.734 1.679 1.00 0.00 N ATOM 397 CA LYS A 38 -18.277 11.199 3.063 1.00 0.00 C ATOM 398 C LYS A 38 -17.869 12.666 3.144 1.00 0.00 C ATOM 399 O LYS A 38 -18.701 13.542 3.380 1.00 0.00 O ATOM 400 CB LYS A 38 -17.323 10.342 3.899 1.00 0.00 C ATOM 401 CG LYS A 38 -18.027 9.510 4.960 1.00 0.00 C ATOM 402 CD LYS A 38 -17.213 9.437 6.243 1.00 0.00 C ATOM 403 CE LYS A 38 -16.571 8.070 6.421 1.00 0.00 C ATOM 404 NZ LYS A 38 -16.683 7.582 7.823 1.00 0.00 N ATOM 0 H LYS A 38 -17.731 9.900 1.508 1.00 0.00 H new ATOM 0 HA LYS A 38 -19.286 11.103 3.463 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.769 9.678 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.593 10.991 4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.005 9.942 5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.199 8.503 4.579 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.439 10.204 6.228 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -17.857 9.651 7.096 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.046 7.356 5.749 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.520 8.123 6.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -16.233 6.648 7.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -16.207 8.250 8.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.687 7.507 8.085 1.00 0.00 H new ATOM 418 N LYS A 39 -16.584 12.924 2.944 1.00 0.00 N ATOM 419 CA LYS A 39 -16.058 14.283 2.992 1.00 0.00 C ATOM 420 C LYS A 39 -14.572 14.310 2.638 1.00 0.00 C ATOM 421 O LYS A 39 -14.156 15.048 1.744 1.00 0.00 O ATOM 422 CB LYS A 39 -16.282 14.892 4.380 1.00 0.00 C ATOM 423 CG LYS A 39 -17.407 15.913 4.423 1.00 0.00 C ATOM 424 CD LYS A 39 -18.139 15.879 5.754 1.00 0.00 C ATOM 425 CE LYS A 39 -18.908 17.167 6.001 1.00 0.00 C ATOM 426 NZ LYS A 39 -18.033 18.242 6.543 1.00 0.00 N ATOM 0 H LYS A 39 -15.884 12.209 2.746 1.00 0.00 H new ATOM 0 HA LYS A 39 -16.594 14.878 2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -16.502 14.092 5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.359 15.367 4.712 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.001 16.911 4.255 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -18.111 15.715 3.614 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -18.828 15.034 5.770 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.423 15.722 6.560 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -19.361 17.504 5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -19.722 16.975 6.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.596 19.103 6.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.620 17.932 7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.271 18.444 5.865 1.00 0.00 H new ATOM 440 N PRO A 40 -13.747 13.504 3.332 1.00 0.00 N ATOM 441 CA PRO A 40 -12.304 13.448 3.077 1.00 0.00 C ATOM 442 C PRO A 40 -11.988 13.055 1.638 1.00 0.00 C ATOM 443 O PRO A 40 -12.529 12.081 1.116 1.00 0.00 O ATOM 444 CB PRO A 40 -11.801 12.370 4.045 1.00 0.00 C ATOM 445 CG PRO A 40 -12.848 12.284 5.101 1.00 0.00 C ATOM 446 CD PRO A 40 -14.148 12.588 4.415 1.00 0.00 C ATOM 0 HA PRO A 40 -11.831 14.419 3.223 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -11.671 11.414 3.538 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -10.834 12.640 4.469 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -12.867 11.292 5.553 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -12.654 12.996 5.903 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.619 11.685 4.026 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -14.863 13.054 5.093 1.00 0.00 H new ATOM 454 N ARG A 41 -11.107 13.821 1.000 1.00 0.00 N ATOM 455 CA ARG A 41 -10.718 13.552 -0.378 1.00 0.00 C ATOM 456 C ARG A 41 -9.420 14.275 -0.729 1.00 0.00 C ATOM 457 O ARG A 41 -9.404 15.170 -1.573 1.00 0.00 O ATOM 458 CB ARG A 41 -11.830 13.979 -1.337 1.00 0.00 C ATOM 459 CG ARG A 41 -12.315 15.402 -1.114 1.00 0.00 C ATOM 460 CD ARG A 41 -13.601 15.679 -1.875 1.00 0.00 C ATOM 461 NE ARG A 41 -13.722 17.084 -2.252 1.00 0.00 N ATOM 462 CZ ARG A 41 -14.564 17.532 -3.181 1.00 0.00 C ATOM 463 NH1 ARG A 41 -15.358 16.690 -3.828 1.00 0.00 N ATOM 464 NH2 ARG A 41 -14.611 18.827 -3.463 1.00 0.00 N ATOM 0 H ARG A 41 -10.650 14.632 1.417 1.00 0.00 H new ATOM 0 HA ARG A 41 -10.553 12.479 -0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.471 13.883 -2.362 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.673 13.296 -1.229 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -12.478 15.569 -0.049 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -11.544 16.104 -1.432 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.633 15.059 -2.771 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.455 15.394 -1.260 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.127 17.762 -1.776 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.326 15.693 -3.615 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.001 17.039 -4.539 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -14.002 19.479 -2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.256 19.171 -4.175 1.00 0.00 H new ATOM 478 N THR A 42 -8.335 13.880 -0.072 1.00 0.00 N ATOM 479 CA THR A 42 -7.032 14.488 -0.312 1.00 0.00 C ATOM 480 C THR A 42 -5.987 13.425 -0.636 1.00 0.00 C ATOM 481 O THR A 42 -6.303 12.239 -0.724 1.00 0.00 O ATOM 482 CB THR A 42 -6.593 15.296 0.911 1.00 0.00 C ATOM 483 OG1 THR A 42 -6.922 14.615 2.108 1.00 0.00 O ATOM 484 CG2 THR A 42 -7.221 16.672 0.976 1.00 0.00 C ATOM 0 H THR A 42 -8.332 13.141 0.631 1.00 0.00 H new ATOM 0 HA THR A 42 -7.121 15.156 -1.169 1.00 0.00 H new ATOM 0 HB THR A 42 -5.514 15.412 0.808 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.631 15.147 2.878 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.868 17.192 1.867 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.942 17.241 0.089 1.00 0.00 H new ATOM 0 HG23 THR A 42 -8.306 16.575 1.019 1.00 0.00 H new ATOM 492 N ALA A 43 -4.743 13.857 -0.810 1.00 0.00 N ATOM 493 CA ALA A 43 -3.652 12.940 -1.123 1.00 0.00 C ATOM 494 C ALA A 43 -3.554 11.827 -0.085 1.00 0.00 C ATOM 495 O ALA A 43 -3.183 10.697 -0.405 1.00 0.00 O ATOM 496 CB ALA A 43 -2.336 13.699 -1.213 1.00 0.00 C ATOM 0 H ALA A 43 -4.464 14.836 -0.740 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.862 12.481 -2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.530 13.003 -1.447 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.404 14.453 -1.997 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.130 14.185 -0.259 1.00 0.00 H new ATOM 502 N GLN A 44 -3.887 12.154 1.160 1.00 0.00 N ATOM 503 CA GLN A 44 -3.838 11.183 2.246 1.00 0.00 C ATOM 504 C GLN A 44 -4.832 10.049 2.010 1.00 0.00 C ATOM 505 O GLN A 44 -4.602 8.912 2.424 1.00 0.00 O ATOM 506 CB GLN A 44 -4.135 11.865 3.581 1.00 0.00 C ATOM 507 CG GLN A 44 -3.020 12.778 4.060 1.00 0.00 C ATOM 508 CD GLN A 44 -3.542 14.025 4.747 1.00 0.00 C ATOM 509 OE1 GLN A 44 -4.121 14.904 4.108 1.00 0.00 O ATOM 510 NE2 GLN A 44 -3.339 14.109 6.057 1.00 0.00 N ATOM 0 H GLN A 44 -4.194 13.085 1.441 1.00 0.00 H new ATOM 0 HA GLN A 44 -2.833 10.761 2.276 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.053 12.445 3.486 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.317 11.101 4.337 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.377 12.230 4.749 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -2.402 13.068 3.210 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -2.854 13.357 6.547 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -3.668 14.925 6.573 1.00 0.00 H new ATOM 519 N ASP A 45 -5.937 10.366 1.344 1.00 0.00 N ATOM 520 CA ASP A 45 -6.966 9.375 1.056 1.00 0.00 C ATOM 521 C ASP A 45 -6.483 8.367 0.018 1.00 0.00 C ATOM 522 O ASP A 45 -6.815 7.184 0.086 1.00 0.00 O ATOM 523 CB ASP A 45 -8.240 10.061 0.561 1.00 0.00 C ATOM 524 CG ASP A 45 -9.108 10.561 1.699 1.00 0.00 C ATOM 525 OD1 ASP A 45 -9.595 9.722 2.487 1.00 0.00 O ATOM 526 OD2 ASP A 45 -9.301 11.791 1.802 1.00 0.00 O ATOM 0 H ASP A 45 -6.143 11.302 0.994 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.183 8.839 1.980 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -7.971 10.899 -0.082 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.812 9.362 -0.048 1.00 0.00 H new ATOM 531 N GLU A 46 -5.701 8.843 -0.943 1.00 0.00 N ATOM 532 CA GLU A 46 -5.177 7.983 -1.998 1.00 0.00 C ATOM 533 C GLU A 46 -4.146 7.005 -1.447 1.00 0.00 C ATOM 534 O GLU A 46 -4.120 5.835 -1.827 1.00 0.00 O ATOM 535 CB GLU A 46 -4.559 8.828 -3.116 1.00 0.00 C ATOM 536 CG GLU A 46 -5.038 8.439 -4.506 1.00 0.00 C ATOM 537 CD GLU A 46 -3.900 8.040 -5.427 1.00 0.00 C ATOM 538 OE1 GLU A 46 -2.888 8.772 -5.471 1.00 0.00 O ATOM 539 OE2 GLU A 46 -4.020 6.998 -6.101 1.00 0.00 O ATOM 0 H GLU A 46 -5.415 9.820 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.007 7.407 -2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.794 9.878 -2.940 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.474 8.733 -3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.742 7.611 -4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.580 9.276 -4.946 1.00 0.00 H new ATOM 546 N LYS A 47 -3.303 7.490 -0.545 1.00 0.00 N ATOM 547 CA LYS A 47 -2.280 6.651 0.061 1.00 0.00 C ATOM 548 C LYS A 47 -2.919 5.599 0.957 1.00 0.00 C ATOM 549 O LYS A 47 -2.466 4.456 1.017 1.00 0.00 O ATOM 550 CB LYS A 47 -1.293 7.499 0.865 1.00 0.00 C ATOM 551 CG LYS A 47 -1.955 8.375 1.913 1.00 0.00 C ATOM 552 CD LYS A 47 -0.928 9.173 2.702 1.00 0.00 C ATOM 553 CE LYS A 47 -0.185 10.161 1.815 1.00 0.00 C ATOM 554 NZ LYS A 47 -0.281 11.554 2.334 1.00 0.00 N ATOM 0 H LYS A 47 -3.308 8.456 -0.218 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.734 6.148 -0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.576 6.840 1.355 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.728 8.131 0.180 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.654 9.057 1.430 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.536 7.753 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.426 9.711 3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.215 8.491 3.166 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.863 9.870 1.747 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.593 10.121 0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.607 12.059 2.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.068 12.046 1.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.449 11.531 3.360 1.00 0.00 H new ATOM 568 N PHE A 48 -3.981 5.996 1.652 1.00 0.00 N ATOM 569 CA PHE A 48 -4.691 5.092 2.546 1.00 0.00 C ATOM 570 C PHE A 48 -5.358 3.968 1.765 1.00 0.00 C ATOM 571 O PHE A 48 -5.281 2.802 2.152 1.00 0.00 O ATOM 572 CB PHE A 48 -5.735 5.858 3.361 1.00 0.00 C ATOM 573 CG PHE A 48 -6.385 5.031 4.434 1.00 0.00 C ATOM 574 CD1 PHE A 48 -7.511 4.271 4.156 1.00 0.00 C ATOM 575 CD2 PHE A 48 -5.872 5.015 5.721 1.00 0.00 C ATOM 576 CE1 PHE A 48 -8.111 3.511 5.141 1.00 0.00 C ATOM 577 CE2 PHE A 48 -6.467 4.256 6.710 1.00 0.00 C ATOM 578 CZ PHE A 48 -7.589 3.504 6.420 1.00 0.00 C ATOM 0 H PHE A 48 -4.368 6.939 1.612 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.964 4.652 3.229 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.261 6.726 3.820 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.505 6.235 2.688 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.924 4.273 3.158 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.996 5.603 5.954 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.987 2.923 4.912 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -6.056 4.250 7.709 1.00 0.00 H new ATOM 0 HZ PHE A 48 -8.057 2.912 7.192 1.00 0.00 H new ATOM 588 N LEU A 49 -6.006 4.320 0.662 1.00 0.00 N ATOM 589 CA LEU A 49 -6.674 3.326 -0.168 1.00 0.00 C ATOM 590 C LEU A 49 -5.643 2.487 -0.913 1.00 0.00 C ATOM 591 O LEU A 49 -5.825 1.285 -1.106 1.00 0.00 O ATOM 592 CB LEU A 49 -7.637 3.991 -1.157 1.00 0.00 C ATOM 593 CG LEU A 49 -7.030 5.086 -2.035 1.00 0.00 C ATOM 594 CD1 LEU A 49 -6.375 4.483 -3.269 1.00 0.00 C ATOM 595 CD2 LEU A 49 -8.098 6.095 -2.435 1.00 0.00 C ATOM 0 H LEU A 49 -6.083 5.279 0.323 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.257 2.675 0.483 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.054 3.220 -1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.468 4.419 -0.596 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.262 5.603 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.949 5.279 -3.880 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.584 3.798 -2.963 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -7.122 3.940 -3.849 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -7.652 6.869 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.886 5.589 -2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.521 6.551 -1.540 1.00 0.00 H new ATOM 607 N ARG A 50 -4.553 3.132 -1.317 1.00 0.00 N ATOM 608 CA ARG A 50 -3.480 2.449 -2.026 1.00 0.00 C ATOM 609 C ARG A 50 -2.780 1.454 -1.108 1.00 0.00 C ATOM 610 O ARG A 50 -2.350 0.386 -1.543 1.00 0.00 O ATOM 611 CB ARG A 50 -2.469 3.464 -2.563 1.00 0.00 C ATOM 612 CG ARG A 50 -2.771 3.931 -3.977 1.00 0.00 C ATOM 613 CD ARG A 50 -1.527 4.475 -4.661 1.00 0.00 C ATOM 614 NE ARG A 50 -1.858 5.359 -5.777 1.00 0.00 N ATOM 615 CZ ARG A 50 -1.016 6.250 -6.294 1.00 0.00 C ATOM 616 NH1 ARG A 50 0.212 6.376 -5.803 1.00 0.00 N ATOM 617 NH2 ARG A 50 -1.399 7.015 -7.306 1.00 0.00 N ATOM 0 H ARG A 50 -4.391 4.127 -1.165 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.915 1.905 -2.864 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -2.448 4.329 -1.900 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.474 3.020 -2.540 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.173 3.101 -4.558 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.540 4.703 -3.950 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.922 5.019 -3.935 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -0.920 3.645 -5.023 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.791 5.289 -6.184 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.513 5.788 -5.026 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.853 7.061 -6.203 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -2.340 6.921 -7.689 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.753 7.698 -7.702 1.00 0.00 H new ATOM 631 N GLU A 51 -2.670 1.817 0.167 1.00 0.00 N ATOM 632 CA GLU A 51 -2.020 0.960 1.152 1.00 0.00 C ATOM 633 C GLU A 51 -2.871 -0.270 1.452 1.00 0.00 C ATOM 634 O GLU A 51 -2.347 -1.333 1.784 1.00 0.00 O ATOM 635 CB GLU A 51 -1.761 1.741 2.443 1.00 0.00 C ATOM 636 CG GLU A 51 -0.662 1.141 3.305 1.00 0.00 C ATOM 637 CD GLU A 51 -0.480 1.883 4.615 1.00 0.00 C ATOM 638 OE1 GLU A 51 -1.166 1.532 5.597 1.00 0.00 O ATOM 639 OE2 GLU A 51 0.351 2.815 4.657 1.00 0.00 O ATOM 0 H GLU A 51 -3.022 2.698 0.541 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.069 0.628 0.736 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.494 2.767 2.190 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.683 1.785 3.023 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.897 0.097 3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.277 1.153 2.751 1.00 0.00 H new ATOM 646 N SER A 52 -4.187 -0.120 1.332 1.00 0.00 N ATOM 647 CA SER A 52 -5.109 -1.221 1.590 1.00 0.00 C ATOM 648 C SER A 52 -5.505 -1.915 0.291 1.00 0.00 C ATOM 649 O SER A 52 -6.646 -2.345 0.130 1.00 0.00 O ATOM 650 CB SER A 52 -6.359 -0.708 2.308 1.00 0.00 C ATOM 651 OG SER A 52 -6.018 0.200 3.341 1.00 0.00 O ATOM 0 H SER A 52 -4.638 0.753 1.058 1.00 0.00 H new ATOM 0 HA SER A 52 -4.602 -1.945 2.228 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.018 -0.218 1.592 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.912 -1.549 2.727 1.00 0.00 H new ATOM 0 HG SER A 52 -5.771 1.064 2.949 1.00 0.00 H new ATOM 657 N ALA A 53 -4.555 -2.024 -0.632 1.00 0.00 N ATOM 658 CA ALA A 53 -4.808 -2.667 -1.916 1.00 0.00 C ATOM 659 C ALA A 53 -3.960 -3.925 -2.075 1.00 0.00 C ATOM 660 O ALA A 53 -2.738 -3.887 -1.918 1.00 0.00 O ATOM 661 CB ALA A 53 -4.533 -1.697 -3.055 1.00 0.00 C ATOM 0 H ALA A 53 -3.604 -1.676 -0.515 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.857 -2.960 -1.948 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.726 -2.190 -4.008 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.184 -0.828 -2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.492 -1.377 -3.017 1.00 0.00 H new ATOM 667 N CYS A 54 -4.615 -5.038 -2.388 1.00 0.00 N ATOM 668 CA CYS A 54 -3.919 -6.309 -2.568 1.00 0.00 C ATOM 669 C CYS A 54 -3.045 -6.280 -3.817 1.00 0.00 C ATOM 670 O CYS A 54 -3.364 -6.911 -4.826 1.00 0.00 O ATOM 671 CB CYS A 54 -4.923 -7.460 -2.660 1.00 0.00 C ATOM 672 SG CYS A 54 -6.274 -7.182 -3.851 1.00 0.00 S ATOM 0 H CYS A 54 -5.625 -5.087 -2.522 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.277 -6.466 -1.701 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -4.391 -8.370 -2.938 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.353 -7.631 -1.673 1.00 0.00 H new ATOM 677 N GLY A 55 -1.940 -5.545 -3.743 1.00 0.00 N ATOM 678 CA GLY A 55 -1.036 -5.447 -4.873 1.00 0.00 C ATOM 679 C GLY A 55 -1.005 -4.055 -5.472 1.00 0.00 C ATOM 680 O GLY A 55 -1.733 -3.166 -5.031 1.00 0.00 O ATOM 0 H GLY A 55 -1.655 -5.015 -2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -0.031 -5.725 -4.555 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.338 -6.162 -5.639 1.00 0.00 H new ATOM 684 N PHE A 56 -0.157 -3.864 -6.478 1.00 0.00 N ATOM 685 CA PHE A 56 -0.034 -2.569 -7.136 1.00 0.00 C ATOM 686 C PHE A 56 0.749 -2.692 -8.441 1.00 0.00 C ATOM 687 O PHE A 56 1.804 -3.322 -8.485 1.00 0.00 O ATOM 688 CB PHE A 56 0.654 -1.565 -6.209 1.00 0.00 C ATOM 689 CG PHE A 56 2.002 -2.018 -5.726 1.00 0.00 C ATOM 690 CD1 PHE A 56 3.119 -1.901 -6.537 1.00 0.00 C ATOM 691 CD2 PHE A 56 2.152 -2.561 -4.459 1.00 0.00 C ATOM 692 CE1 PHE A 56 4.361 -2.316 -6.095 1.00 0.00 C ATOM 693 CE2 PHE A 56 3.391 -2.977 -4.011 1.00 0.00 C ATOM 694 CZ PHE A 56 4.496 -2.855 -4.830 1.00 0.00 C ATOM 0 H PHE A 56 0.454 -4.589 -6.854 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.037 -2.212 -7.367 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.765 -0.616 -6.734 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.012 -1.380 -5.348 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.018 -1.480 -7.527 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.291 -2.660 -3.815 1.00 0.00 H new ATOM 0 HE1 PHE A 56 5.224 -2.219 -6.737 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.495 -3.397 -3.022 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.465 -3.181 -4.482 1.00 0.00 H new ATOM 704 N ASP A 57 0.223 -2.083 -9.497 1.00 0.00 N ATOM 705 CA ASP A 57 0.871 -2.121 -10.804 1.00 0.00 C ATOM 706 C ASP A 57 0.904 -0.733 -11.440 1.00 0.00 C ATOM 707 O ASP A 57 1.082 -0.602 -12.651 1.00 0.00 O ATOM 708 CB ASP A 57 0.147 -3.104 -11.728 1.00 0.00 C ATOM 709 CG ASP A 57 1.097 -4.087 -12.382 1.00 0.00 C ATOM 710 OD1 ASP A 57 1.682 -3.739 -13.431 1.00 0.00 O ATOM 711 OD2 ASP A 57 1.258 -5.204 -11.847 1.00 0.00 O ATOM 0 H ASP A 57 -0.650 -1.557 -9.475 1.00 0.00 H new ATOM 0 HA ASP A 57 1.898 -2.457 -10.661 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -0.602 -3.652 -11.156 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.385 -2.548 -12.500 1.00 0.00 H new ATOM 716 N GLY A 58 0.736 0.301 -10.620 1.00 0.00 N ATOM 717 CA GLY A 58 0.753 1.662 -11.124 1.00 0.00 C ATOM 718 C GLY A 58 -0.217 1.875 -12.271 1.00 0.00 C ATOM 719 O GLY A 58 -0.008 2.746 -13.115 1.00 0.00 O ATOM 0 H GLY A 58 0.588 0.220 -9.614 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.507 2.348 -10.314 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.761 1.909 -11.456 1.00 0.00 H new ATOM 723 N GLN A 59 -1.280 1.075 -12.303 1.00 0.00 N ATOM 724 CA GLN A 59 -2.282 1.182 -13.358 1.00 0.00 C ATOM 725 C GLN A 59 -3.600 0.544 -12.929 1.00 0.00 C ATOM 726 O GLN A 59 -4.671 1.113 -13.132 1.00 0.00 O ATOM 727 CB GLN A 59 -1.772 0.523 -14.641 1.00 0.00 C ATOM 728 CG GLN A 59 -1.262 1.515 -15.672 1.00 0.00 C ATOM 729 CD GLN A 59 -2.355 2.425 -16.198 1.00 0.00 C ATOM 730 OE1 GLN A 59 -3.048 2.092 -17.159 1.00 0.00 O ATOM 731 NE2 GLN A 59 -2.516 3.582 -15.566 1.00 0.00 N ATOM 0 H GLN A 59 -1.469 0.348 -11.613 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.461 2.240 -13.548 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.970 -0.171 -14.389 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.577 -0.066 -15.082 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.473 2.121 -15.228 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.816 0.971 -16.504 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -1.919 3.818 -14.773 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -3.237 4.235 -15.873 1.00 0.00 H new ATOM 740 N THR A 60 -3.513 -0.645 -12.339 1.00 0.00 N ATOM 741 CA THR A 60 -4.698 -1.364 -11.885 1.00 0.00 C ATOM 742 C THR A 60 -5.123 -0.899 -10.490 1.00 0.00 C ATOM 743 O THR A 60 -4.422 -1.146 -9.509 1.00 0.00 O ATOM 744 CB THR A 60 -4.434 -2.872 -11.875 1.00 0.00 C ATOM 745 OG1 THR A 60 -5.595 -3.581 -11.484 1.00 0.00 O ATOM 746 CG2 THR A 60 -3.313 -3.281 -10.945 1.00 0.00 C ATOM 0 H THR A 60 -2.633 -1.131 -12.164 1.00 0.00 H new ATOM 0 HA THR A 60 -5.509 -1.148 -12.581 1.00 0.00 H new ATOM 0 HB THR A 60 -4.143 -3.119 -12.896 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.407 -4.543 -11.485 1.00 0.00 H new ATOM 0 HG21 THR A 60 -3.181 -4.362 -10.988 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.389 -2.790 -11.251 1.00 0.00 H new ATOM 0 HG23 THR A 60 -3.560 -2.986 -9.925 1.00 0.00 H new ATOM 754 N PRO A 61 -6.279 -0.218 -10.381 1.00 0.00 N ATOM 755 CA PRO A 61 -6.786 0.277 -9.104 1.00 0.00 C ATOM 756 C PRO A 61 -7.614 -0.767 -8.361 1.00 0.00 C ATOM 757 O PRO A 61 -8.658 -1.203 -8.844 1.00 0.00 O ATOM 758 CB PRO A 61 -7.664 1.448 -9.532 1.00 0.00 C ATOM 759 CG PRO A 61 -8.218 1.033 -10.854 1.00 0.00 C ATOM 760 CD PRO A 61 -7.185 0.132 -11.494 1.00 0.00 C ATOM 0 HA PRO A 61 -5.987 0.542 -8.412 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.458 1.634 -8.809 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -7.086 2.369 -9.615 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.165 0.508 -10.729 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.415 1.902 -11.481 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.644 -0.756 -11.929 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -6.653 0.642 -12.297 1.00 0.00 H new ATOM 768 N LYS A 62 -7.141 -1.165 -7.184 1.00 0.00 N ATOM 769 CA LYS A 62 -7.838 -2.156 -6.375 1.00 0.00 C ATOM 770 C LYS A 62 -7.832 -1.759 -4.901 1.00 0.00 C ATOM 771 O LYS A 62 -7.023 -0.935 -4.475 1.00 0.00 O ATOM 772 CB LYS A 62 -7.192 -3.532 -6.545 1.00 0.00 C ATOM 773 CG LYS A 62 -5.760 -3.596 -6.043 1.00 0.00 C ATOM 774 CD LYS A 62 -5.017 -4.789 -6.626 1.00 0.00 C ATOM 775 CE LYS A 62 -4.151 -4.383 -7.805 1.00 0.00 C ATOM 776 NZ LYS A 62 -3.064 -5.370 -8.064 1.00 0.00 N ATOM 0 H LYS A 62 -6.277 -0.815 -6.770 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.872 -2.203 -6.717 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -7.789 -4.273 -6.013 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.211 -3.806 -7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -5.239 -2.676 -6.309 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.757 -3.661 -4.955 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -4.394 -5.243 -5.855 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -5.734 -5.546 -6.944 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.772 -4.286 -8.695 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.713 -3.403 -7.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.224 -4.875 -8.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.823 -5.861 -7.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.386 -6.064 -8.768 1.00 0.00 H new ATOM 790 N VAL A 63 -8.739 -2.349 -4.130 1.00 0.00 N ATOM 791 CA VAL A 63 -8.834 -2.055 -2.705 1.00 0.00 C ATOM 792 C VAL A 63 -9.220 -3.297 -1.907 1.00 0.00 C ATOM 793 O VAL A 63 -9.762 -4.254 -2.456 1.00 0.00 O ATOM 794 CB VAL A 63 -9.865 -0.942 -2.429 1.00 0.00 C ATOM 795 CG1 VAL A 63 -9.802 -0.501 -0.975 1.00 0.00 C ATOM 796 CG2 VAL A 63 -9.638 0.238 -3.361 1.00 0.00 C ATOM 0 H VAL A 63 -9.417 -3.032 -4.467 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.848 -1.717 -2.388 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.861 -1.341 -2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.537 0.285 -0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.019 -1.351 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.805 -0.121 -0.753 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.375 1.014 -3.152 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.636 0.638 -3.205 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.740 -0.090 -4.395 1.00 0.00 H new ATOM 806 N CYS A 64 -8.933 -3.271 -0.608 1.00 0.00 N ATOM 807 CA CYS A 64 -9.246 -4.394 0.267 1.00 0.00 C ATOM 808 C CYS A 64 -10.477 -4.097 1.116 1.00 0.00 C ATOM 809 O CYS A 64 -10.522 -3.095 1.833 1.00 0.00 O ATOM 810 CB CYS A 64 -8.053 -4.711 1.171 1.00 0.00 C ATOM 811 SG CYS A 64 -8.026 -6.420 1.799 1.00 0.00 S ATOM 0 H CYS A 64 -8.484 -2.484 -0.139 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.460 -5.261 -0.359 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.133 -4.525 0.618 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.061 -4.025 2.018 1.00 0.00 H new ATOM 816 N CYS A 65 -11.474 -4.972 1.034 1.00 0.00 N ATOM 817 CA CYS A 65 -12.705 -4.807 1.795 1.00 0.00 C ATOM 818 C CYS A 65 -12.950 -6.012 2.703 1.00 0.00 C ATOM 819 O CYS A 65 -13.167 -7.125 2.221 1.00 0.00 O ATOM 820 CB CYS A 65 -13.892 -4.621 0.844 1.00 0.00 C ATOM 821 SG CYS A 65 -14.479 -2.902 0.712 1.00 0.00 S ATOM 0 H CYS A 65 -11.452 -5.805 0.446 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.603 -3.920 2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.608 -4.973 -0.148 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.716 -5.250 1.182 1.00 0.00 H new ATOM 826 N PRO A 66 -12.918 -5.812 4.033 1.00 0.00 N ATOM 827 CA PRO A 66 -13.139 -6.895 4.997 1.00 0.00 C ATOM 828 C PRO A 66 -14.608 -7.287 5.101 1.00 0.00 C ATOM 829 O PRO A 66 -15.457 -6.465 5.444 1.00 0.00 O ATOM 830 CB PRO A 66 -12.651 -6.294 6.314 1.00 0.00 C ATOM 831 CG PRO A 66 -12.878 -4.829 6.163 1.00 0.00 C ATOM 832 CD PRO A 66 -12.665 -4.521 4.705 1.00 0.00 C ATOM 0 HA PRO A 66 -12.622 -7.811 4.711 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.204 -6.696 7.163 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.598 -6.517 6.486 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -13.886 -4.557 6.475 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.187 -4.261 6.786 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.348 -3.747 4.355 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.653 -4.162 4.515 1.00 0.00 H new