USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 404 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 15 GLN : amide:sc= 0.524 K(o=1.2,f=-1.2) USER MOD Set 1.2: A 18 ASN : amide:sc= 0.692 K(o=1.2,f=-0.65) USER MOD Set 2.1: A 8 THR OG1 : rot -73:sc= 0.0529 USER MOD Set 2.2: A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -145:sc= 1.2 (180deg=0.685) USER MOD Single : A 5 GLN : amide:sc= 0.792 K(o=0.79,f=-0.35) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.111 USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0.562 K(o=0.56,f=0) USER MOD Single : B 4 GLN : amide:sc= 0.645 K(o=0.64,f=0) USER MOD Single : B 5 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD Single : B 9 SER OG : rot 140:sc= 0.753 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 150:sc= 0 USER MOD Single : B 27 THR OG1 : rot -37:sc= 0.262 USER MOD Single : B 29 LYS NZ :NH3+ -171:sc= 1.22 (180deg=1.13) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.098 -24.029 7.547 1.00 0.00 N ATOM 2 CA GLY A 1 -7.984 -23.640 6.426 1.00 0.00 C ATOM 3 C GLY A 1 -7.516 -22.362 5.744 1.00 0.00 C ATOM 4 O GLY A 1 -6.618 -21.683 6.240 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.037 -25.066 7.598 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.149 -23.634 7.392 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.485 -23.661 8.439 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.020 -24.448 5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.999 -23.501 6.798 1.00 0.00 H new ATOM 10 N ILE A 2 -8.115 -22.018 4.597 1.00 0.00 N ATOM 11 CA ILE A 2 -7.635 -20.933 3.716 1.00 0.00 C ATOM 12 C ILE A 2 -7.585 -19.559 4.395 1.00 0.00 C ATOM 13 O ILE A 2 -6.538 -18.921 4.374 1.00 0.00 O ATOM 14 CB ILE A 2 -8.394 -20.924 2.364 1.00 0.00 C ATOM 15 CG1 ILE A 2 -7.920 -19.808 1.400 1.00 0.00 C ATOM 16 CG2 ILE A 2 -9.929 -20.956 2.496 1.00 0.00 C ATOM 17 CD1 ILE A 2 -8.632 -18.446 1.476 1.00 0.00 C ATOM 0 H ILE A 2 -8.952 -22.484 4.247 1.00 0.00 H new ATOM 0 HA ILE A 2 -6.592 -21.157 3.493 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.119 -21.874 1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -6.857 -19.641 1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -8.019 -20.181 0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -10.380 -20.947 1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -10.230 -21.861 3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -10.264 -20.082 3.055 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -8.195 -17.766 0.745 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -9.693 -18.577 1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -8.513 -18.029 2.476 1.00 0.00 H new ATOM 29 N VAL A 3 -8.661 -19.097 5.042 1.00 0.00 N ATOM 30 CA VAL A 3 -8.656 -17.745 5.641 1.00 0.00 C ATOM 31 C VAL A 3 -7.701 -17.671 6.839 1.00 0.00 C ATOM 32 O VAL A 3 -7.017 -16.666 6.997 1.00 0.00 O ATOM 33 CB VAL A 3 -10.071 -17.244 5.987 1.00 0.00 C ATOM 34 CG1 VAL A 3 -10.073 -15.819 6.555 1.00 0.00 C ATOM 35 CG2 VAL A 3 -11.008 -17.300 4.775 1.00 0.00 C ATOM 0 H VAL A 3 -9.529 -19.619 5.166 1.00 0.00 H new ATOM 0 HA VAL A 3 -8.277 -17.061 4.881 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.437 -17.922 6.758 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.096 -15.519 6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -9.477 -15.790 7.467 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -9.647 -15.134 5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.996 -16.938 5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.609 -16.673 3.978 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.086 -18.329 4.423 1.00 0.00 H new ATOM 45 N GLU A 4 -7.558 -18.747 7.627 1.00 0.00 N ATOM 46 CA GLU A 4 -6.545 -18.832 8.699 1.00 0.00 C ATOM 47 C GLU A 4 -5.122 -18.690 8.134 1.00 0.00 C ATOM 48 O GLU A 4 -4.329 -17.905 8.657 1.00 0.00 O ATOM 49 CB GLU A 4 -6.659 -20.167 9.458 1.00 0.00 C ATOM 50 CG GLU A 4 -7.899 -20.259 10.370 1.00 0.00 C ATOM 51 CD GLU A 4 -8.564 -21.654 10.443 1.00 0.00 C ATOM 52 OE1 GLU A 4 -9.531 -21.816 11.226 1.00 0.00 O ATOM 53 OE2 GLU A 4 -8.189 -22.590 9.698 1.00 0.00 O1- ATOM 0 H GLU A 4 -8.137 -19.582 7.543 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.735 -18.009 9.388 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.689 -20.983 8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -5.763 -20.308 10.063 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.612 -19.959 11.378 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -8.640 -19.539 10.022 1.00 0.00 H new ATOM 60 N GLN A 5 -4.825 -19.378 7.023 1.00 0.00 N ATOM 61 CA GLN A 5 -3.570 -19.228 6.280 1.00 0.00 C ATOM 62 C GLN A 5 -3.366 -17.777 5.801 1.00 0.00 C ATOM 63 O GLN A 5 -2.250 -17.275 5.900 1.00 0.00 O ATOM 64 CB GLN A 5 -3.541 -20.257 5.129 1.00 0.00 C ATOM 65 CG GLN A 5 -2.427 -20.070 4.084 1.00 0.00 C ATOM 66 CD GLN A 5 -1.012 -20.338 4.595 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.771 -21.084 5.536 1.00 0.00 O ATOM 68 NE2 GLN A 5 -0.010 -19.773 3.957 1.00 0.00 N ATOM 0 H GLN A 5 -5.459 -20.063 6.611 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.726 -19.435 6.938 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -3.443 -21.253 5.561 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -4.502 -20.225 4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -2.625 -20.733 3.241 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.473 -19.049 3.704 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -0.193 -19.149 3.171 1.00 0.00 H new ATOM 0 HE22 GLN A 5 0.950 -19.959 4.248 1.00 0.00 H new ATOM 77 N CYS A 6 -4.414 -17.078 5.344 1.00 0.00 N ATOM 78 CA CYS A 6 -4.308 -15.674 4.918 1.00 0.00 C ATOM 79 C CYS A 6 -4.128 -14.693 6.096 1.00 0.00 C ATOM 80 O CYS A 6 -3.476 -13.660 5.943 1.00 0.00 O ATOM 81 CB CYS A 6 -5.525 -15.259 4.075 1.00 0.00 C ATOM 82 SG CYS A 6 -6.004 -16.347 2.701 1.00 0.00 S ATOM 0 H CYS A 6 -5.354 -17.466 5.259 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.406 -15.615 4.309 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -6.381 -15.165 4.743 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.329 -14.268 3.666 1.00 0.00 H new ATOM 87 N CYS A 7 -4.677 -14.998 7.279 1.00 0.00 N ATOM 88 CA CYS A 7 -4.477 -14.196 8.490 1.00 0.00 C ATOM 89 C CYS A 7 -3.014 -14.257 8.988 1.00 0.00 C ATOM 90 O CYS A 7 -2.477 -13.241 9.434 1.00 0.00 O ATOM 91 CB CYS A 7 -5.428 -14.680 9.598 1.00 0.00 C ATOM 92 SG CYS A 7 -7.216 -14.593 9.274 1.00 0.00 S ATOM 0 H CYS A 7 -5.275 -15.812 7.422 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.697 -13.158 8.241 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.178 -15.716 9.825 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -5.221 -14.098 10.496 1.00 0.00 H new ATOM 97 N THR A 8 -2.363 -15.428 8.922 1.00 0.00 N ATOM 98 CA THR A 8 -0.990 -15.646 9.431 1.00 0.00 C ATOM 99 C THR A 8 0.117 -15.431 8.387 1.00 0.00 C ATOM 100 O THR A 8 1.209 -14.979 8.744 1.00 0.00 O ATOM 101 CB THR A 8 -0.837 -17.061 10.018 1.00 0.00 C ATOM 102 OG1 THR A 8 -1.107 -18.049 9.046 1.00 0.00 O ATOM 103 CG2 THR A 8 -1.766 -17.302 11.211 1.00 0.00 C ATOM 0 H THR A 8 -2.776 -16.264 8.509 1.00 0.00 H new ATOM 0 HA THR A 8 -0.861 -14.887 10.202 1.00 0.00 H new ATOM 0 HB THR A 8 0.198 -17.132 10.353 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.072 -18.087 8.878 1.00 0.00 H new ATOM 0 HG21 THR A 8 -1.619 -18.314 11.588 1.00 0.00 H new ATOM 0 HG22 THR A 8 -1.539 -16.585 12.000 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.802 -17.179 10.896 1.00 0.00 H new ATOM 111 N SER A 9 -0.152 -15.727 7.112 1.00 0.00 N ATOM 112 CA SER A 9 0.838 -15.888 6.031 1.00 0.00 C ATOM 113 C SER A 9 0.264 -15.490 4.656 1.00 0.00 C ATOM 114 O SER A 9 -0.866 -15.009 4.548 1.00 0.00 O ATOM 115 CB SER A 9 1.304 -17.357 6.006 1.00 0.00 C ATOM 116 OG SER A 9 2.060 -17.684 7.163 1.00 0.00 O ATOM 0 H SER A 9 -1.108 -15.868 6.785 1.00 0.00 H new ATOM 0 HA SER A 9 1.679 -15.223 6.229 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.437 -18.014 5.940 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.906 -17.533 5.115 1.00 0.00 H new ATOM 0 HG SER A 9 2.339 -18.622 7.117 1.00 0.00 H new ATOM 122 N ILE A 10 1.047 -15.655 3.582 1.00 0.00 N ATOM 123 CA ILE A 10 0.586 -15.426 2.201 1.00 0.00 C ATOM 124 C ILE A 10 -0.514 -16.413 1.757 1.00 0.00 C ATOM 125 O ILE A 10 -0.625 -17.532 2.264 1.00 0.00 O ATOM 126 CB ILE A 10 1.768 -15.373 1.198 1.00 0.00 C ATOM 127 CG1 ILE A 10 2.840 -16.486 1.304 1.00 0.00 C ATOM 128 CG2 ILE A 10 2.482 -14.018 1.337 1.00 0.00 C ATOM 129 CD1 ILE A 10 2.334 -17.915 1.085 1.00 0.00 C ATOM 0 H ILE A 10 2.021 -15.952 3.644 1.00 0.00 H new ATOM 0 HA ILE A 10 0.118 -14.442 2.198 1.00 0.00 H new ATOM 0 HB ILE A 10 1.294 -15.527 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.624 -16.281 0.575 1.00 0.00 H new ATOM 0 HG13 ILE A 10 3.300 -16.430 2.291 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.315 -13.972 0.635 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.780 -13.213 1.120 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.858 -13.908 2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.165 -18.614 1.181 1.00 0.00 H new ATOM 0 HD12 ILE A 10 1.574 -18.150 1.830 1.00 0.00 H new ATOM 0 HD13 ILE A 10 1.903 -17.999 0.088 1.00 0.00 H new ATOM 141 N CYS A 11 -1.313 -15.993 0.773 1.00 0.00 N ATOM 142 CA CYS A 11 -2.377 -16.777 0.134 1.00 0.00 C ATOM 143 C CYS A 11 -2.317 -16.687 -1.398 1.00 0.00 C ATOM 144 O CYS A 11 -1.867 -15.684 -1.955 1.00 0.00 O ATOM 145 CB CYS A 11 -3.743 -16.318 0.663 1.00 0.00 C ATOM 146 SG CYS A 11 -4.300 -17.276 2.086 1.00 0.00 S ATOM 0 H CYS A 11 -1.234 -15.055 0.381 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.229 -17.826 0.390 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.685 -15.265 0.940 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.482 -16.398 -0.134 1.00 0.00 H new ATOM 151 N SER A 12 -2.816 -17.728 -2.067 1.00 0.00 N ATOM 152 CA SER A 12 -2.795 -17.904 -3.528 1.00 0.00 C ATOM 153 C SER A 12 -4.053 -18.640 -4.000 1.00 0.00 C ATOM 154 O SER A 12 -4.712 -19.319 -3.210 1.00 0.00 O ATOM 155 CB SER A 12 -1.543 -18.691 -3.953 1.00 0.00 C ATOM 156 OG SER A 12 -0.354 -18.005 -3.588 1.00 0.00 O ATOM 0 H SER A 12 -3.266 -18.508 -1.588 1.00 0.00 H new ATOM 0 HA SER A 12 -2.770 -16.917 -3.990 1.00 0.00 H new ATOM 0 HB2 SER A 12 -1.555 -19.676 -3.487 1.00 0.00 H new ATOM 0 HB3 SER A 12 -1.558 -18.848 -5.031 1.00 0.00 H new ATOM 0 HG SER A 12 0.425 -18.529 -3.869 1.00 0.00 H new ATOM 162 N LEU A 13 -4.391 -18.550 -5.291 1.00 0.00 N ATOM 163 CA LEU A 13 -5.611 -19.161 -5.848 1.00 0.00 C ATOM 164 C LEU A 13 -5.604 -20.702 -5.764 1.00 0.00 C ATOM 165 O LEU A 13 -6.666 -21.319 -5.714 1.00 0.00 O ATOM 166 CB LEU A 13 -5.846 -18.673 -7.292 1.00 0.00 C ATOM 167 CG LEU A 13 -6.306 -17.203 -7.410 1.00 0.00 C ATOM 168 CD1 LEU A 13 -5.155 -16.192 -7.336 1.00 0.00 C ATOM 169 CD2 LEU A 13 -7.014 -16.990 -8.749 1.00 0.00 C ATOM 0 H LEU A 13 -3.829 -18.053 -5.982 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.446 -18.833 -5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.923 -18.797 -7.858 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.595 -19.312 -7.760 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.968 -17.030 -6.561 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.552 -15.181 -7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.640 -16.296 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.453 -16.379 -8.149 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.337 -15.952 -8.829 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -6.328 -17.220 -9.564 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.882 -17.646 -8.810 1.00 0.00 H new ATOM 181 N TYR A 14 -4.430 -21.327 -5.636 1.00 0.00 N ATOM 182 CA TYR A 14 -4.286 -22.749 -5.299 1.00 0.00 C ATOM 183 C TYR A 14 -4.934 -23.110 -3.944 1.00 0.00 C ATOM 184 O TYR A 14 -5.571 -24.157 -3.826 1.00 0.00 O ATOM 185 CB TYR A 14 -2.787 -23.090 -5.318 1.00 0.00 C ATOM 186 CG TYR A 14 -2.425 -24.511 -4.921 1.00 0.00 C ATOM 187 CD1 TYR A 14 -1.493 -24.738 -3.887 1.00 0.00 C ATOM 188 CD2 TYR A 14 -2.989 -25.606 -5.607 1.00 0.00 C ATOM 189 CE1 TYR A 14 -1.125 -26.052 -3.538 1.00 0.00 C ATOM 190 CE2 TYR A 14 -2.628 -26.922 -5.256 1.00 0.00 C ATOM 191 CZ TYR A 14 -1.693 -27.150 -4.223 1.00 0.00 C ATOM 192 OH TYR A 14 -1.338 -28.425 -3.902 1.00 0.00 O ATOM 0 H TYR A 14 -3.537 -20.852 -5.766 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.819 -23.346 -6.039 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.405 -22.905 -6.322 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.269 -22.403 -4.648 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -1.060 -23.901 -3.361 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.699 -25.436 -6.403 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.409 -26.220 -2.747 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.068 -27.759 -5.779 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.827 -29.054 -4.473 1.00 0.00 H new ATOM 202 N GLN A 15 -4.850 -22.225 -2.940 1.00 0.00 N ATOM 203 CA GLN A 15 -5.543 -22.391 -1.654 1.00 0.00 C ATOM 204 C GLN A 15 -7.041 -22.052 -1.722 1.00 0.00 C ATOM 205 O GLN A 15 -7.801 -22.561 -0.899 1.00 0.00 O ATOM 206 CB GLN A 15 -4.848 -21.580 -0.545 1.00 0.00 C ATOM 207 CG GLN A 15 -3.463 -22.133 -0.165 1.00 0.00 C ATOM 208 CD GLN A 15 -3.490 -23.513 0.505 1.00 0.00 C ATOM 209 OE1 GLN A 15 -4.524 -24.087 0.829 1.00 0.00 O ATOM 210 NE2 GLN A 15 -2.340 -24.106 0.746 1.00 0.00 N ATOM 0 H GLN A 15 -4.297 -21.370 -2.998 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.479 -23.451 -1.409 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -4.741 -20.546 -0.873 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -5.483 -21.570 0.341 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.850 -22.192 -1.065 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -2.976 -21.427 0.507 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -1.466 -23.649 0.486 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -2.323 -25.023 1.193 1.00 0.00 H new ATOM 219 N LEU A 16 -7.497 -21.271 -2.713 1.00 0.00 N ATOM 220 CA LEU A 16 -8.930 -21.197 -3.024 1.00 0.00 C ATOM 221 C LEU A 16 -9.419 -22.533 -3.590 1.00 0.00 C ATOM 222 O LEU A 16 -10.320 -23.127 -3.013 1.00 0.00 O ATOM 223 CB LEU A 16 -9.283 -20.033 -3.971 1.00 0.00 C ATOM 224 CG LEU A 16 -8.946 -18.625 -3.452 1.00 0.00 C ATOM 225 CD1 LEU A 16 -9.520 -17.589 -4.419 1.00 0.00 C ATOM 226 CD2 LEU A 16 -9.531 -18.361 -2.065 1.00 0.00 C ATOM 0 H LEU A 16 -6.903 -20.690 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 16 -9.449 -20.993 -2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.761 -20.186 -4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.351 -20.075 -4.186 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.861 -18.553 -3.383 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.286 -16.587 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.082 -17.731 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.602 -17.709 -4.481 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.265 -17.354 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.616 -18.455 -2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.130 -19.086 -1.357 1.00 0.00 H new ATOM 238 N GLU A 17 -8.798 -23.062 -4.648 1.00 0.00 N ATOM 239 CA GLU A 17 -9.179 -24.346 -5.273 1.00 0.00 C ATOM 240 C GLU A 17 -9.079 -25.565 -4.326 1.00 0.00 C ATOM 241 O GLU A 17 -9.715 -26.592 -4.568 1.00 0.00 O ATOM 242 CB GLU A 17 -8.318 -24.585 -6.526 1.00 0.00 C ATOM 243 CG GLU A 17 -8.613 -23.613 -7.681 1.00 0.00 C ATOM 244 CD GLU A 17 -10.041 -23.733 -8.257 1.00 0.00 C ATOM 245 OE1 GLU A 17 -10.609 -22.702 -8.685 1.00 0.00 O ATOM 246 OE2 GLU A 17 -10.607 -24.848 -8.336 1.00 0.00 O1- ATOM 0 H GLU A 17 -8.006 -22.610 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.233 -24.257 -5.537 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.266 -24.501 -6.253 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.476 -25.606 -6.874 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.459 -22.592 -7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.894 -23.788 -8.481 1.00 0.00 H new ATOM 253 N ASN A 18 -8.337 -25.449 -3.218 1.00 0.00 N ATOM 254 CA ASN A 18 -8.284 -26.441 -2.137 1.00 0.00 C ATOM 255 C ASN A 18 -9.654 -26.646 -1.434 1.00 0.00 C ATOM 256 O ASN A 18 -9.907 -27.720 -0.886 1.00 0.00 O ATOM 257 CB ASN A 18 -7.184 -25.983 -1.156 1.00 0.00 C ATOM 258 CG ASN A 18 -6.700 -27.044 -0.177 1.00 0.00 C ATOM 259 OD1 ASN A 18 -6.983 -28.230 -0.277 1.00 0.00 O ATOM 260 ND2 ASN A 18 -5.900 -26.652 0.788 1.00 0.00 N ATOM 0 H ASN A 18 -7.740 -24.640 -3.044 1.00 0.00 H new ATOM 0 HA ASN A 18 -8.044 -27.422 -2.548 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -6.330 -25.629 -1.734 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -7.559 -25.132 -0.587 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.521 -27.334 1.445 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -5.658 -25.666 0.880 1.00 0.00 H new ATOM 267 N TYR A 19 -10.555 -25.650 -1.483 1.00 0.00 N ATOM 268 CA TYR A 19 -11.870 -25.672 -0.811 1.00 0.00 C ATOM 269 C TYR A 19 -13.043 -25.179 -1.690 1.00 0.00 C ATOM 270 O TYR A 19 -14.165 -25.678 -1.565 1.00 0.00 O ATOM 271 CB TYR A 19 -11.773 -24.858 0.488 1.00 0.00 C ATOM 272 CG TYR A 19 -10.639 -25.252 1.421 1.00 0.00 C ATOM 273 CD1 TYR A 19 -10.721 -26.440 2.175 1.00 0.00 C ATOM 274 CD2 TYR A 19 -9.502 -24.430 1.535 1.00 0.00 C ATOM 275 CE1 TYR A 19 -9.688 -26.786 3.068 1.00 0.00 C ATOM 276 CE2 TYR A 19 -8.463 -24.775 2.422 1.00 0.00 C ATOM 277 CZ TYR A 19 -8.559 -25.948 3.199 1.00 0.00 C ATOM 278 OH TYR A 19 -7.569 -26.252 4.082 1.00 0.00 O ATOM 0 H TYR A 19 -10.388 -24.788 -2.002 1.00 0.00 H new ATOM 0 HA TYR A 19 -12.105 -26.714 -0.597 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -11.659 -23.805 0.230 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -12.715 -24.954 1.028 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -11.579 -27.087 2.068 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -9.426 -23.532 0.940 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -9.759 -27.692 3.652 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.593 -24.141 2.507 1.00 0.00 H new ATOM 0 HH TYR A 19 -6.870 -25.567 4.038 1.00 0.00 H new ATOM 288 N CYS A 20 -12.790 -24.253 -2.619 1.00 0.00 N ATOM 289 CA CYS A 20 -13.633 -23.931 -3.773 1.00 0.00 C ATOM 290 C CYS A 20 -13.572 -25.091 -4.794 1.00 0.00 C ATOM 291 O CYS A 20 -12.862 -25.018 -5.798 1.00 0.00 O ATOM 292 CB CYS A 20 -13.193 -22.579 -4.376 1.00 0.00 C ATOM 293 SG CYS A 20 -14.226 -22.016 -5.760 1.00 0.00 S ATOM 0 H CYS A 20 -11.948 -23.678 -2.584 1.00 0.00 H new ATOM 0 HA CYS A 20 -14.674 -23.822 -3.469 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -13.209 -21.821 -3.593 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -12.161 -22.664 -4.717 1.00 0.00 H new ATOM 298 N GLY A 21 -14.258 -26.200 -4.483 1.00 0.00 N ATOM 299 CA GLY A 21 -14.311 -27.427 -5.296 1.00 0.00 C ATOM 300 C GLY A 21 -15.183 -27.286 -6.542 1.00 0.00 C ATOM 301 O GLY A 21 -14.632 -27.333 -7.664 1.00 0.00 O ATOM 302 OXT GLY A 21 -16.415 -27.146 -6.379 1.00 0.00 O1- ATOM 0 H GLY A 21 -14.811 -26.272 -3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -13.300 -27.699 -5.597 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -14.692 -28.244 -4.684 1.00 0.00 H new TER 306 GLY A 21 ATOM 307 N PHE B 1 -7.424 -9.905 -4.058 1.00 0.00 N ATOM 308 CA PHE B 1 -7.270 -11.199 -3.341 1.00 0.00 C ATOM 309 C PHE B 1 -5.808 -11.602 -3.103 1.00 0.00 C ATOM 310 O PHE B 1 -5.419 -11.767 -1.950 1.00 0.00 O ATOM 311 CB PHE B 1 -8.056 -12.353 -4.001 1.00 0.00 C ATOM 312 CG PHE B 1 -7.695 -13.715 -3.425 1.00 0.00 C ATOM 313 CD1 PHE B 1 -6.954 -14.636 -4.191 1.00 0.00 C ATOM 314 CD2 PHE B 1 -7.993 -14.012 -2.080 1.00 0.00 C ATOM 315 CE1 PHE B 1 -6.497 -15.831 -3.609 1.00 0.00 C ATOM 316 CE2 PHE B 1 -7.532 -15.208 -1.499 1.00 0.00 C ATOM 317 CZ PHE B 1 -6.777 -16.114 -2.262 1.00 0.00 C ATOM 0 H1 PHE B 1 -8.435 -9.696 -4.184 1.00 0.00 H new ATOM 0 H2 PHE B 1 -6.980 -9.146 -3.503 1.00 0.00 H new ATOM 0 H3 PHE B 1 -6.965 -9.967 -4.989 1.00 0.00 H new ATOM 0 HA PHE B 1 -7.712 -11.017 -2.361 1.00 0.00 H new ATOM 0 HB2 PHE B 1 -9.124 -12.180 -3.872 1.00 0.00 H new ATOM 0 HB3 PHE B 1 -7.861 -12.353 -5.073 1.00 0.00 H new ATOM 0 HD1 PHE B 1 -6.737 -14.424 -5.227 1.00 0.00 H new ATOM 0 HD2 PHE B 1 -8.577 -13.319 -1.493 1.00 0.00 H new ATOM 0 HE1 PHE B 1 -5.929 -16.534 -4.200 1.00 0.00 H new ATOM 0 HE2 PHE B 1 -7.759 -15.429 -0.466 1.00 0.00 H new ATOM 0 HZ PHE B 1 -6.412 -17.026 -1.814 1.00 0.00 H new ATOM 329 N VAL B 2 -5.008 -11.841 -4.153 1.00 0.00 N ATOM 330 CA VAL B 2 -3.740 -12.598 -4.051 1.00 0.00 C ATOM 331 C VAL B 2 -2.724 -12.001 -3.058 1.00 0.00 C ATOM 332 O VAL B 2 -2.567 -10.782 -2.958 1.00 0.00 O ATOM 333 CB VAL B 2 -3.146 -12.835 -5.458 1.00 0.00 C ATOM 334 CG1 VAL B 2 -2.615 -11.557 -6.121 1.00 0.00 C ATOM 335 CG2 VAL B 2 -2.024 -13.876 -5.450 1.00 0.00 C ATOM 0 H VAL B 2 -5.217 -11.518 -5.098 1.00 0.00 H new ATOM 0 HA VAL B 2 -3.983 -13.567 -3.616 1.00 0.00 H new ATOM 0 HB VAL B 2 -3.987 -13.206 -6.044 1.00 0.00 H new ATOM 0 HG11 VAL B 2 -2.213 -11.798 -7.105 1.00 0.00 H new ATOM 0 HG12 VAL B 2 -3.427 -10.838 -6.227 1.00 0.00 H new ATOM 0 HG13 VAL B 2 -1.827 -11.127 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL B 2 -1.641 -14.006 -6.462 1.00 0.00 H new ATOM 0 HG22 VAL B 2 -1.219 -13.538 -4.798 1.00 0.00 H new ATOM 0 HG23 VAL B 2 -2.412 -14.827 -5.084 1.00 0.00 H new ATOM 345 N ASN B 3 -2.049 -12.884 -2.312 1.00 0.00 N ATOM 346 CA ASN B 3 -0.985 -12.670 -1.311 1.00 0.00 C ATOM 347 C ASN B 3 -1.307 -11.780 -0.085 1.00 0.00 C ATOM 348 O ASN B 3 -0.658 -11.947 0.948 1.00 0.00 O ATOM 349 CB ASN B 3 0.324 -12.245 -2.012 1.00 0.00 C ATOM 350 CG ASN B 3 0.983 -13.266 -2.941 1.00 0.00 C ATOM 351 OD1 ASN B 3 1.927 -12.941 -3.647 1.00 0.00 O ATOM 352 ND2 ASN B 3 0.565 -14.514 -2.996 1.00 0.00 N ATOM 0 H ASN B 3 -2.255 -13.879 -2.402 1.00 0.00 H new ATOM 0 HA ASN B 3 -0.873 -13.646 -0.840 1.00 0.00 H new ATOM 0 HB2 ASN B 3 0.120 -11.344 -2.591 1.00 0.00 H new ATOM 0 HB3 ASN B 3 1.046 -11.973 -1.242 1.00 0.00 H new ATOM 0 HD21 ASN B 3 1.027 -15.180 -3.616 1.00 0.00 H new ATOM 0 HD22 ASN B 3 -0.220 -14.815 -2.419 1.00 0.00 H new ATOM 359 N GLN B 4 -2.279 -10.868 -0.155 1.00 0.00 N ATOM 360 CA GLN B 4 -2.613 -9.927 0.926 1.00 0.00 C ATOM 361 C GLN B 4 -3.381 -10.584 2.093 1.00 0.00 C ATOM 362 O GLN B 4 -4.078 -11.588 1.928 1.00 0.00 O ATOM 363 CB GLN B 4 -3.339 -8.699 0.346 1.00 0.00 C ATOM 364 CG GLN B 4 -4.773 -8.980 -0.143 1.00 0.00 C ATOM 365 CD GLN B 4 -5.115 -8.301 -1.472 1.00 0.00 C ATOM 366 OE1 GLN B 4 -6.057 -7.530 -1.578 1.00 0.00 O ATOM 367 NE2 GLN B 4 -4.396 -8.552 -2.549 1.00 0.00 N ATOM 0 H GLN B 4 -2.870 -10.758 -0.979 1.00 0.00 H new ATOM 0 HA GLN B 4 -1.678 -9.590 1.374 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -3.374 -7.920 1.107 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -2.755 -8.306 -0.486 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -4.906 -10.056 -0.250 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -5.479 -8.646 0.618 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -3.603 -9.191 -2.495 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -4.633 -8.107 -3.436 1.00 0.00 H new ATOM 376 N HIS B 5 -3.253 -10.001 3.289 1.00 0.00 N ATOM 377 CA HIS B 5 -3.612 -10.625 4.574 1.00 0.00 C ATOM 378 C HIS B 5 -5.036 -10.310 5.077 1.00 0.00 C ATOM 379 O HIS B 5 -5.265 -10.200 6.285 1.00 0.00 O ATOM 380 CB HIS B 5 -2.523 -10.305 5.615 1.00 0.00 C ATOM 381 CG HIS B 5 -1.124 -10.627 5.141 1.00 0.00 C ATOM 382 ND1 HIS B 5 -0.316 -9.791 4.360 1.00 0.00 N ATOM 383 CD2 HIS B 5 -0.479 -11.814 5.326 1.00 0.00 C ATOM 384 CE1 HIS B 5 0.797 -10.497 4.097 1.00 0.00 C ATOM 385 NE2 HIS B 5 0.728 -11.712 4.669 1.00 0.00 N ATOM 0 H HIS B 5 -2.887 -9.055 3.397 1.00 0.00 H new ATOM 0 HA HIS B 5 -3.648 -11.702 4.407 1.00 0.00 H new ATOM 0 HB2 HIS B 5 -2.577 -9.247 5.872 1.00 0.00 H new ATOM 0 HB3 HIS B 5 -2.727 -10.866 6.527 1.00 0.00 H new ATOM 0 HD2 HIS B 5 -0.843 -12.667 5.879 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.629 -10.139 3.509 1.00 0.00 H new ATOM 0 HE2 HIS B 5 1.446 -12.435 4.624 1.00 0.00 H new ATOM 393 N LEU B 6 -6.002 -10.138 4.167 1.00 0.00 N ATOM 394 CA LEU B 6 -7.416 -9.921 4.513 1.00 0.00 C ATOM 395 C LEU B 6 -7.965 -11.151 5.271 1.00 0.00 C ATOM 396 O LEU B 6 -7.704 -12.293 4.887 1.00 0.00 O ATOM 397 CB LEU B 6 -8.192 -9.548 3.227 1.00 0.00 C ATOM 398 CG LEU B 6 -9.588 -8.897 3.359 1.00 0.00 C ATOM 399 CD1 LEU B 6 -10.714 -9.885 3.658 1.00 0.00 C ATOM 400 CD2 LEU B 6 -9.635 -7.764 4.386 1.00 0.00 C ATOM 0 H LEU B 6 -5.826 -10.145 3.162 1.00 0.00 H new ATOM 0 HA LEU B 6 -7.540 -9.084 5.199 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -7.565 -8.869 2.649 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -8.307 -10.457 2.636 1.00 0.00 H new ATOM 0 HG LEU B 6 -9.760 -8.481 2.366 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -11.659 -9.347 3.735 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -10.778 -10.618 2.854 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -10.510 -10.396 4.599 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -10.643 -7.352 4.428 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -9.360 -8.151 5.367 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -8.935 -6.981 4.096 1.00 0.00 H new ATOM 412 N CYS B 7 -8.666 -10.920 6.385 1.00 0.00 N ATOM 413 CA CYS B 7 -8.905 -11.918 7.435 1.00 0.00 C ATOM 414 C CYS B 7 -10.350 -11.863 7.985 1.00 0.00 C ATOM 415 O CYS B 7 -11.023 -10.832 7.897 1.00 0.00 O ATOM 416 CB CYS B 7 -7.826 -11.692 8.512 1.00 0.00 C ATOM 417 SG CYS B 7 -7.844 -12.782 9.961 1.00 0.00 S ATOM 0 H CYS B 7 -9.092 -10.016 6.587 1.00 0.00 H new ATOM 0 HA CYS B 7 -8.822 -12.929 7.037 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -6.850 -11.784 8.035 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -7.913 -10.664 8.864 1.00 0.00 H new ATOM 422 N GLY B 8 -10.832 -12.978 8.551 1.00 0.00 N ATOM 423 CA GLY B 8 -12.213 -13.149 9.032 1.00 0.00 C ATOM 424 C GLY B 8 -13.242 -13.379 7.914 1.00 0.00 C ATOM 425 O GLY B 8 -12.890 -13.505 6.737 1.00 0.00 O ATOM 0 H GLY B 8 -10.258 -13.809 8.691 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -12.245 -13.994 9.720 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -12.501 -12.264 9.600 1.00 0.00 H new ATOM 429 N SER B 9 -14.532 -13.425 8.267 1.00 0.00 N ATOM 430 CA SER B 9 -15.619 -13.782 7.333 1.00 0.00 C ATOM 431 C SER B 9 -15.832 -12.803 6.171 1.00 0.00 C ATOM 432 O SER B 9 -16.507 -13.154 5.206 1.00 0.00 O ATOM 433 CB SER B 9 -16.941 -14.006 8.072 1.00 0.00 C ATOM 434 OG SER B 9 -17.438 -12.800 8.638 1.00 0.00 O ATOM 0 H SER B 9 -14.858 -13.216 9.211 1.00 0.00 H new ATOM 0 HA SER B 9 -15.281 -14.713 6.879 1.00 0.00 H new ATOM 0 HB2 SER B 9 -17.679 -14.415 7.382 1.00 0.00 H new ATOM 0 HB3 SER B 9 -16.797 -14.745 8.860 1.00 0.00 H new ATOM 0 HG SER B 9 -18.410 -12.760 8.521 1.00 0.00 H new ATOM 440 N HIS B 10 -15.217 -11.616 6.177 1.00 0.00 N ATOM 441 CA HIS B 10 -15.165 -10.771 4.975 1.00 0.00 C ATOM 442 C HIS B 10 -14.404 -11.435 3.818 1.00 0.00 C ATOM 443 O HIS B 10 -14.767 -11.202 2.666 1.00 0.00 O ATOM 444 CB HIS B 10 -14.621 -9.377 5.318 1.00 0.00 C ATOM 445 CG HIS B 10 -15.739 -8.418 5.655 1.00 0.00 C ATOM 446 ND1 HIS B 10 -16.321 -7.518 4.756 1.00 0.00 N ATOM 447 CD2 HIS B 10 -16.455 -8.400 6.817 1.00 0.00 C ATOM 448 CE1 HIS B 10 -17.362 -6.966 5.403 1.00 0.00 C ATOM 449 NE2 HIS B 10 -17.464 -7.476 6.642 1.00 0.00 N ATOM 0 H HIS B 10 -14.751 -11.219 6.993 1.00 0.00 H new ATOM 0 HA HIS B 10 -16.186 -10.647 4.614 1.00 0.00 H new ATOM 0 HB2 HIS B 10 -13.935 -9.450 6.162 1.00 0.00 H new ATOM 0 HB3 HIS B 10 -14.049 -8.990 4.475 1.00 0.00 H new ATOM 0 HD2 HIS B 10 -16.268 -8.993 7.700 1.00 0.00 H new ATOM 0 HE1 HIS B 10 -18.022 -6.219 4.987 1.00 0.00 H new ATOM 0 HE2 HIS B 10 -18.168 -7.223 7.335 1.00 0.00 H new ATOM 457 N LEU B 11 -13.435 -12.327 4.081 1.00 0.00 N ATOM 458 CA LEU B 11 -12.840 -13.161 3.028 1.00 0.00 C ATOM 459 C LEU B 11 -13.754 -14.332 2.609 1.00 0.00 C ATOM 460 O LEU B 11 -13.759 -14.693 1.436 1.00 0.00 O ATOM 461 CB LEU B 11 -11.421 -13.619 3.423 1.00 0.00 C ATOM 462 CG LEU B 11 -10.640 -14.315 2.282 1.00 0.00 C ATOM 463 CD1 LEU B 11 -10.607 -13.526 0.968 1.00 0.00 C ATOM 464 CD2 LEU B 11 -9.177 -14.511 2.682 1.00 0.00 C ATOM 0 H LEU B 11 -13.049 -12.488 5.011 1.00 0.00 H new ATOM 0 HA LEU B 11 -12.742 -12.541 2.137 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.853 -12.753 3.762 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.494 -14.303 4.269 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.172 -15.253 2.123 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -10.040 -14.084 0.223 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -11.625 -13.373 0.610 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -10.132 -12.559 1.136 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.640 -15.002 1.870 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -8.722 -13.541 2.884 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -9.124 -15.130 3.578 1.00 0.00 H new ATOM 476 N VAL B 12 -14.585 -14.875 3.511 1.00 0.00 N ATOM 477 CA VAL B 12 -15.649 -15.844 3.150 1.00 0.00 C ATOM 478 C VAL B 12 -16.672 -15.193 2.211 1.00 0.00 C ATOM 479 O VAL B 12 -17.030 -15.766 1.187 1.00 0.00 O ATOM 480 CB VAL B 12 -16.361 -16.418 4.396 1.00 0.00 C ATOM 481 CG1 VAL B 12 -17.560 -17.316 4.057 1.00 0.00 C ATOM 482 CG2 VAL B 12 -15.404 -17.240 5.261 1.00 0.00 C ATOM 0 H VAL B 12 -14.545 -14.661 4.508 1.00 0.00 H new ATOM 0 HA VAL B 12 -15.166 -16.675 2.636 1.00 0.00 H new ATOM 0 HB VAL B 12 -16.718 -15.541 4.935 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -18.011 -17.684 4.979 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -18.297 -16.742 3.496 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -17.223 -18.161 3.456 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -15.939 -17.628 6.128 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -15.009 -18.071 4.677 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -14.581 -16.608 5.595 1.00 0.00 H new ATOM 492 N GLU B 13 -17.113 -13.973 2.518 1.00 0.00 N ATOM 493 CA GLU B 13 -18.046 -13.209 1.679 1.00 0.00 C ATOM 494 C GLU B 13 -17.413 -12.793 0.338 1.00 0.00 C ATOM 495 O GLU B 13 -18.058 -12.905 -0.707 1.00 0.00 O ATOM 496 CB GLU B 13 -18.559 -11.986 2.458 1.00 0.00 C ATOM 497 CG GLU B 13 -19.478 -12.391 3.624 1.00 0.00 C ATOM 498 CD GLU B 13 -19.833 -11.206 4.546 1.00 0.00 C ATOM 499 OE1 GLU B 13 -20.111 -10.088 4.045 1.00 0.00 O ATOM 500 OE2 GLU B 13 -19.880 -11.394 5.787 1.00 0.00 O1- ATOM 0 H GLU B 13 -16.831 -13.479 3.365 1.00 0.00 H new ATOM 0 HA GLU B 13 -18.890 -13.854 1.434 1.00 0.00 H new ATOM 0 HB2 GLU B 13 -17.711 -11.420 2.844 1.00 0.00 H new ATOM 0 HB3 GLU B 13 -19.101 -11.326 1.781 1.00 0.00 H new ATOM 0 HG2 GLU B 13 -20.396 -12.822 3.224 1.00 0.00 H new ATOM 0 HG3 GLU B 13 -18.990 -13.169 4.211 1.00 0.00 H new ATOM 507 N ALA B 14 -16.138 -12.383 0.335 1.00 0.00 N ATOM 508 CA ALA B 14 -15.394 -12.076 -0.888 1.00 0.00 C ATOM 509 C ALA B 14 -15.102 -13.321 -1.749 1.00 0.00 C ATOM 510 O ALA B 14 -15.084 -13.213 -2.971 1.00 0.00 O ATOM 511 CB ALA B 14 -14.103 -11.339 -0.519 1.00 0.00 C ATOM 0 H ALA B 14 -15.593 -12.255 1.187 1.00 0.00 H new ATOM 0 HA ALA B 14 -16.021 -11.435 -1.507 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -13.544 -11.108 -1.426 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -14.349 -10.414 0.002 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -13.496 -11.971 0.130 1.00 0.00 H new ATOM 517 N LEU B 15 -14.933 -14.512 -1.166 1.00 0.00 N ATOM 518 CA LEU B 15 -14.726 -15.778 -1.890 1.00 0.00 C ATOM 519 C LEU B 15 -15.884 -16.079 -2.865 1.00 0.00 C ATOM 520 O LEU B 15 -15.635 -16.456 -4.013 1.00 0.00 O ATOM 521 CB LEU B 15 -14.439 -16.866 -0.827 1.00 0.00 C ATOM 522 CG LEU B 15 -14.423 -18.359 -1.201 1.00 0.00 C ATOM 523 CD1 LEU B 15 -15.819 -18.958 -1.363 1.00 0.00 C ATOM 524 CD2 LEU B 15 -13.602 -18.647 -2.452 1.00 0.00 C ATOM 0 H LEU B 15 -14.936 -14.629 -0.153 1.00 0.00 H new ATOM 0 HA LEU B 15 -13.865 -15.731 -2.557 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -13.467 -16.636 -0.390 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -15.180 -16.743 -0.037 1.00 0.00 H new ATOM 0 HG LEU B 15 -13.944 -18.843 -0.350 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -15.734 -20.012 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -16.367 -18.861 -0.426 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -16.353 -18.429 -2.152 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -13.628 -19.715 -2.666 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -14.020 -18.098 -3.296 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -12.570 -18.334 -2.290 1.00 0.00 H new ATOM 536 N TYR B 16 -17.133 -15.793 -2.482 1.00 0.00 N ATOM 537 CA TYR B 16 -18.304 -15.882 -3.373 1.00 0.00 C ATOM 538 C TYR B 16 -18.331 -14.842 -4.513 1.00 0.00 C ATOM 539 O TYR B 16 -19.142 -14.969 -5.432 1.00 0.00 O ATOM 540 CB TYR B 16 -19.598 -15.852 -2.544 1.00 0.00 C ATOM 541 CG TYR B 16 -19.785 -17.080 -1.669 1.00 0.00 C ATOM 542 CD1 TYR B 16 -20.173 -18.302 -2.252 1.00 0.00 C ATOM 543 CD2 TYR B 16 -19.558 -17.009 -0.282 1.00 0.00 C ATOM 544 CE1 TYR B 16 -20.309 -19.457 -1.457 1.00 0.00 C ATOM 545 CE2 TYR B 16 -19.679 -18.164 0.517 1.00 0.00 C ATOM 546 CZ TYR B 16 -20.049 -19.393 -0.069 1.00 0.00 C ATOM 547 OH TYR B 16 -20.161 -20.506 0.706 1.00 0.00 O ATOM 0 H TYR B 16 -17.366 -15.490 -1.536 1.00 0.00 H new ATOM 0 HA TYR B 16 -18.221 -16.839 -3.888 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -19.596 -14.963 -1.913 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -20.450 -15.762 -3.218 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -20.367 -18.354 -3.313 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -19.290 -16.066 0.172 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -20.612 -20.391 -1.908 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -19.488 -18.108 1.579 1.00 0.00 H new ATOM 0 HH TYR B 16 -19.945 -20.281 1.635 1.00 0.00 H new ATOM 557 N LEU B 17 -17.434 -13.849 -4.499 1.00 0.00 N ATOM 558 CA LEU B 17 -17.212 -12.881 -5.584 1.00 0.00 C ATOM 559 C LEU B 17 -15.901 -13.146 -6.361 1.00 0.00 C ATOM 560 O LEU B 17 -15.809 -12.807 -7.542 1.00 0.00 O ATOM 561 CB LEU B 17 -17.243 -11.455 -4.991 1.00 0.00 C ATOM 562 CG LEU B 17 -18.522 -11.096 -4.203 1.00 0.00 C ATOM 563 CD1 LEU B 17 -18.387 -9.702 -3.589 1.00 0.00 C ATOM 564 CD2 LEU B 17 -19.773 -11.107 -5.085 1.00 0.00 C ATOM 0 H LEU B 17 -16.818 -13.690 -3.702 1.00 0.00 H new ATOM 0 HA LEU B 17 -18.012 -12.992 -6.316 1.00 0.00 H new ATOM 0 HB2 LEU B 17 -16.384 -11.335 -4.331 1.00 0.00 H new ATOM 0 HB3 LEU B 17 -17.124 -10.739 -5.804 1.00 0.00 H new ATOM 0 HG LEU B 17 -18.634 -11.855 -3.429 1.00 0.00 H new ATOM 0 HD11 LEU B 17 -19.294 -9.459 -3.036 1.00 0.00 H new ATOM 0 HD12 LEU B 17 -17.533 -9.684 -2.912 1.00 0.00 H new ATOM 0 HD13 LEU B 17 -18.238 -8.968 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU B 17 -20.644 -10.848 -4.484 1.00 0.00 H new ATOM 0 HD22 LEU B 17 -19.658 -10.380 -5.889 1.00 0.00 H new ATOM 0 HD23 LEU B 17 -19.909 -12.101 -5.512 1.00 0.00 H new ATOM 576 N VAL B 18 -14.897 -13.760 -5.719 1.00 0.00 N ATOM 577 CA VAL B 18 -13.553 -14.030 -6.266 1.00 0.00 C ATOM 578 C VAL B 18 -13.472 -15.379 -6.993 1.00 0.00 C ATOM 579 O VAL B 18 -13.078 -15.406 -8.160 1.00 0.00 O ATOM 580 CB VAL B 18 -12.484 -13.906 -5.157 1.00 0.00 C ATOM 581 CG1 VAL B 18 -11.093 -14.392 -5.585 1.00 0.00 C ATOM 582 CG2 VAL B 18 -12.332 -12.442 -4.720 1.00 0.00 C ATOM 0 H VAL B 18 -15.001 -14.098 -4.762 1.00 0.00 H new ATOM 0 HA VAL B 18 -13.349 -13.272 -7.022 1.00 0.00 H new ATOM 0 HB VAL B 18 -12.842 -14.540 -4.346 1.00 0.00 H new ATOM 0 HG11 VAL B 18 -10.395 -14.275 -4.756 1.00 0.00 H new ATOM 0 HG12 VAL B 18 -11.146 -15.443 -5.868 1.00 0.00 H new ATOM 0 HG13 VAL B 18 -10.748 -13.804 -6.435 1.00 0.00 H new ATOM 0 HG21 VAL B 18 -11.575 -12.372 -3.938 1.00 0.00 H new ATOM 0 HG22 VAL B 18 -12.028 -11.837 -5.574 1.00 0.00 H new ATOM 0 HG23 VAL B 18 -13.284 -12.076 -4.337 1.00 0.00 H new ATOM 592 N CYS B 19 -13.858 -16.492 -6.350 1.00 0.00 N ATOM 593 CA CYS B 19 -13.947 -17.795 -7.031 1.00 0.00 C ATOM 594 C CYS B 19 -15.231 -17.863 -7.888 1.00 0.00 C ATOM 595 O CYS B 19 -15.197 -18.299 -9.037 1.00 0.00 O ATOM 596 CB CYS B 19 -13.828 -18.944 -6.013 1.00 0.00 C ATOM 597 SG CYS B 19 -13.240 -20.509 -6.727 1.00 0.00 S ATOM 0 H CYS B 19 -14.113 -16.517 -5.363 1.00 0.00 H new ATOM 0 HA CYS B 19 -13.109 -17.909 -7.719 1.00 0.00 H new ATOM 0 HB2 CYS B 19 -13.147 -18.641 -5.217 1.00 0.00 H new ATOM 0 HB3 CYS B 19 -14.802 -19.110 -5.553 1.00 0.00 H new ATOM 602 N GLY B 20 -16.339 -17.316 -7.367 1.00 0.00 N ATOM 603 CA GLY B 20 -17.515 -16.853 -8.121 1.00 0.00 C ATOM 604 C GLY B 20 -18.478 -17.904 -8.704 1.00 0.00 C ATOM 605 O GLY B 20 -19.686 -17.812 -8.483 1.00 0.00 O ATOM 0 H GLY B 20 -16.445 -17.178 -6.362 1.00 0.00 H new ATOM 0 HA2 GLY B 20 -18.093 -16.202 -7.465 1.00 0.00 H new ATOM 0 HA3 GLY B 20 -17.158 -16.238 -8.947 1.00 0.00 H new ATOM 609 N GLU B 21 -17.985 -18.865 -9.489 1.00 0.00 N ATOM 610 CA GLU B 21 -18.804 -19.607 -10.470 1.00 0.00 C ATOM 611 C GLU B 21 -19.637 -20.780 -9.907 1.00 0.00 C ATOM 612 O GLU B 21 -20.868 -20.775 -10.014 1.00 0.00 O ATOM 613 CB GLU B 21 -17.989 -20.048 -11.717 1.00 0.00 C ATOM 614 CG GLU B 21 -16.460 -19.848 -11.731 1.00 0.00 C ATOM 615 CD GLU B 21 -15.678 -20.808 -10.809 1.00 0.00 C ATOM 616 OE1 GLU B 21 -14.464 -21.021 -11.037 1.00 0.00 O ATOM 617 OE2 GLU B 21 -16.262 -21.396 -9.872 1.00 0.00 O1- ATOM 0 H GLU B 21 -17.008 -19.156 -9.468 1.00 0.00 H new ATOM 0 HA GLU B 21 -19.542 -18.867 -10.779 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -18.182 -21.109 -11.875 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -18.396 -19.518 -12.578 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -16.100 -19.972 -12.752 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -16.238 -18.822 -11.437 1.00 0.00 H new ATOM 624 N ARG B 22 -18.981 -21.812 -9.362 1.00 0.00 N ATOM 625 CA ARG B 22 -19.567 -23.147 -9.109 1.00 0.00 C ATOM 626 C ARG B 22 -20.645 -23.194 -8.016 1.00 0.00 C ATOM 627 O ARG B 22 -21.626 -23.926 -8.169 1.00 0.00 O ATOM 628 CB ARG B 22 -18.429 -24.129 -8.760 1.00 0.00 C ATOM 629 CG ARG B 22 -17.631 -24.593 -9.990 1.00 0.00 C ATOM 630 CD ARG B 22 -16.232 -25.093 -9.598 1.00 0.00 C ATOM 631 NE ARG B 22 -15.291 -23.970 -9.466 1.00 0.00 N ATOM 632 CZ ARG B 22 -14.002 -24.008 -9.192 1.00 0.00 C ATOM 633 NH1 ARG B 22 -13.382 -25.074 -8.784 1.00 0.00 N1+ ATOM 634 NH2 ARG B 22 -13.300 -22.932 -9.354 1.00 0.00 N ATOM 0 H ARG B 22 -18.004 -21.747 -9.076 1.00 0.00 H new ATOM 0 HA ARG B 22 -20.084 -23.428 -10.027 1.00 0.00 H new ATOM 0 HB2 ARG B 22 -17.750 -23.652 -8.053 1.00 0.00 H new ATOM 0 HB3 ARG B 22 -18.851 -25.000 -8.259 1.00 0.00 H new ATOM 0 HG2 ARG B 22 -18.174 -25.390 -10.498 1.00 0.00 H new ATOM 0 HG3 ARG B 22 -17.539 -23.769 -10.697 1.00 0.00 H new ATOM 0 HD2 ARG B 22 -16.287 -25.639 -8.656 1.00 0.00 H new ATOM 0 HD3 ARG B 22 -15.867 -25.792 -10.351 1.00 0.00 H new ATOM 0 HE ARG B 22 -15.688 -23.041 -9.605 1.00 0.00 H new ATOM 0 HH11 ARG B 22 -13.896 -25.946 -8.659 1.00 0.00 H new ATOM 0 HH12 ARG B 22 -12.382 -25.039 -8.588 1.00 0.00 H new ATOM 0 HH21 ARG B 22 -13.746 -22.077 -9.688 1.00 0.00 H new ATOM 0 HH22 ARG B 22 -12.301 -22.939 -9.148 1.00 0.00 H new ATOM 648 N GLY B 23 -20.458 -22.459 -6.916 1.00 0.00 N ATOM 649 CA GLY B 23 -21.114 -22.740 -5.629 1.00 0.00 C ATOM 650 C GLY B 23 -20.460 -23.952 -4.944 1.00 0.00 C ATOM 651 O GLY B 23 -20.306 -25.014 -5.553 1.00 0.00 O ATOM 0 H GLY B 23 -19.843 -21.646 -6.890 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -21.044 -21.867 -4.980 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -22.175 -22.934 -5.789 1.00 0.00 H new ATOM 655 N PHE B 24 -19.989 -23.777 -3.706 1.00 0.00 N ATOM 656 CA PHE B 24 -18.776 -24.471 -3.240 1.00 0.00 C ATOM 657 C PHE B 24 -18.989 -25.462 -2.087 1.00 0.00 C ATOM 658 O PHE B 24 -19.888 -25.305 -1.257 1.00 0.00 O ATOM 659 CB PHE B 24 -17.715 -23.423 -2.873 1.00 0.00 C ATOM 660 CG PHE B 24 -17.603 -22.281 -3.869 1.00 0.00 C ATOM 661 CD1 PHE B 24 -17.792 -20.959 -3.431 1.00 0.00 C ATOM 662 CD2 PHE B 24 -17.398 -22.538 -5.239 1.00 0.00 C ATOM 663 CE1 PHE B 24 -17.794 -19.904 -4.357 1.00 0.00 C ATOM 664 CE2 PHE B 24 -17.399 -21.477 -6.163 1.00 0.00 C ATOM 665 CZ PHE B 24 -17.612 -20.163 -5.722 1.00 0.00 C ATOM 0 H PHE B 24 -20.421 -23.168 -3.011 1.00 0.00 H new ATOM 0 HA PHE B 24 -18.442 -25.096 -4.069 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -17.949 -23.013 -1.891 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -16.746 -23.916 -2.790 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -17.936 -20.754 -2.380 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -17.240 -23.550 -5.580 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -17.936 -18.889 -4.016 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -17.236 -21.675 -7.212 1.00 0.00 H new ATOM 0 HZ PHE B 24 -17.636 -19.351 -6.434 1.00 0.00 H new ATOM 675 N PHE B 25 -18.107 -26.464 -2.016 1.00 0.00 N ATOM 676 CA PHE B 25 -18.055 -27.459 -0.939 1.00 0.00 C ATOM 677 C PHE B 25 -17.558 -26.850 0.388 1.00 0.00 C ATOM 678 O PHE B 25 -18.205 -27.015 1.423 1.00 0.00 O ATOM 679 CB PHE B 25 -17.167 -28.618 -1.419 1.00 0.00 C ATOM 680 CG PHE B 25 -17.083 -29.802 -0.475 1.00 0.00 C ATOM 681 CD1 PHE B 25 -18.220 -30.604 -0.254 1.00 0.00 C ATOM 682 CD2 PHE B 25 -15.863 -30.136 0.144 1.00 0.00 C ATOM 683 CE1 PHE B 25 -18.139 -31.729 0.585 1.00 0.00 C ATOM 684 CE2 PHE B 25 -15.781 -31.268 0.975 1.00 0.00 C ATOM 685 CZ PHE B 25 -16.919 -32.062 1.199 1.00 0.00 C ATOM 0 H PHE B 25 -17.389 -26.610 -2.726 1.00 0.00 H new ATOM 0 HA PHE B 25 -19.057 -27.829 -0.723 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -17.542 -28.967 -2.381 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -16.160 -28.237 -1.588 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -19.156 -30.354 -0.730 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -14.989 -29.522 -0.019 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -19.014 -32.338 0.758 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -14.842 -31.527 1.442 1.00 0.00 H new ATOM 0 HZ PHE B 25 -16.856 -32.927 1.842 1.00 0.00 H new ATOM 695 N TYR B 26 -16.443 -26.107 0.335 1.00 0.00 N ATOM 696 CA TYR B 26 -15.916 -25.188 1.359 1.00 0.00 C ATOM 697 C TYR B 26 -16.007 -25.719 2.811 1.00 0.00 C ATOM 698 O TYR B 26 -16.726 -25.182 3.656 1.00 0.00 O ATOM 699 CB TYR B 26 -16.514 -23.782 1.142 1.00 0.00 C ATOM 700 CG TYR B 26 -15.745 -22.574 1.679 1.00 0.00 C ATOM 701 CD1 TYR B 26 -14.455 -22.680 2.248 1.00 0.00 C ATOM 702 CD2 TYR B 26 -16.319 -21.296 1.521 1.00 0.00 C ATOM 703 CE1 TYR B 26 -13.746 -21.527 2.637 1.00 0.00 C ATOM 704 CE2 TYR B 26 -15.611 -20.141 1.906 1.00 0.00 C ATOM 705 CZ TYR B 26 -14.317 -20.251 2.452 1.00 0.00 C ATOM 706 OH TYR B 26 -13.621 -19.130 2.778 1.00 0.00 O ATOM 0 H TYR B 26 -15.839 -26.134 -0.487 1.00 0.00 H new ATOM 0 HA TYR B 26 -14.837 -25.114 1.222 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -16.648 -23.640 0.070 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -17.507 -23.770 1.592 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -14.009 -23.654 2.386 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -17.310 -21.202 1.101 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -12.764 -21.620 3.077 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -16.062 -19.167 1.782 1.00 0.00 H new ATOM 0 HH TYR B 26 -13.896 -18.393 2.193 1.00 0.00 H new ATOM 716 N THR B 27 -15.285 -26.813 3.086 1.00 0.00 N ATOM 717 CA THR B 27 -15.399 -27.624 4.320 1.00 0.00 C ATOM 718 C THR B 27 -14.522 -27.272 5.564 1.00 0.00 C ATOM 719 O THR B 27 -14.726 -27.918 6.598 1.00 0.00 O ATOM 720 CB THR B 27 -15.255 -29.108 3.917 1.00 0.00 C ATOM 721 OG1 THR B 27 -15.833 -29.978 4.868 1.00 0.00 O ATOM 722 CG2 THR B 27 -13.799 -29.538 3.703 1.00 0.00 C ATOM 0 H THR B 27 -14.582 -27.175 2.441 1.00 0.00 H new ATOM 0 HA THR B 27 -16.381 -27.372 4.720 1.00 0.00 H new ATOM 0 HB THR B 27 -15.788 -29.185 2.969 1.00 0.00 H new ATOM 0 HG1 THR B 27 -15.681 -29.625 5.769 1.00 0.00 H new ATOM 0 HG21 THR B 27 -13.768 -30.591 3.422 1.00 0.00 H new ATOM 0 HG22 THR B 27 -13.355 -28.937 2.909 1.00 0.00 H new ATOM 0 HG23 THR B 27 -13.237 -29.392 4.626 1.00 0.00 H new ATOM 730 N PRO B 28 -13.556 -26.315 5.579 1.00 0.00 N ATOM 731 CA PRO B 28 -12.669 -26.079 6.733 1.00 0.00 C ATOM 732 C PRO B 28 -13.372 -25.260 7.840 1.00 0.00 C ATOM 733 O PRO B 28 -13.023 -24.104 8.105 1.00 0.00 O ATOM 734 CB PRO B 28 -11.439 -25.383 6.138 1.00 0.00 C ATOM 735 CG PRO B 28 -12.048 -24.512 5.043 1.00 0.00 C ATOM 736 CD PRO B 28 -13.208 -25.367 4.529 1.00 0.00 C ATOM 0 HA PRO B 28 -12.385 -27.000 7.242 1.00 0.00 H new ATOM 0 HB2 PRO B 28 -10.910 -24.788 6.882 1.00 0.00 H new ATOM 0 HB3 PRO B 28 -10.723 -26.099 5.735 1.00 0.00 H new ATOM 0 HG2 PRO B 28 -12.394 -23.555 5.434 1.00 0.00 H new ATOM 0 HG3 PRO B 28 -11.328 -24.293 4.255 1.00 0.00 H new ATOM 0 HD2 PRO B 28 -14.064 -24.740 4.280 1.00 0.00 H new ATOM 0 HD3 PRO B 28 -12.922 -25.893 3.618 1.00 0.00 H new ATOM 744 N LYS B 29 -14.408 -25.846 8.458 1.00 0.00 N ATOM 745 CA LYS B 29 -15.524 -25.127 9.108 1.00 0.00 C ATOM 746 C LYS B 29 -16.145 -24.116 8.115 1.00 0.00 C ATOM 747 O LYS B 29 -16.022 -24.286 6.900 1.00 0.00 O ATOM 748 CB LYS B 29 -15.092 -24.494 10.457 1.00 0.00 C ATOM 749 CG LYS B 29 -14.382 -25.421 11.468 1.00 0.00 C ATOM 750 CD LYS B 29 -12.852 -25.561 11.337 1.00 0.00 C ATOM 751 CE LYS B 29 -12.132 -24.204 11.377 1.00 0.00 C ATOM 752 NZ LYS B 29 -10.655 -24.352 11.410 1.00 0.00 N1+ ATOM 0 H LYS B 29 -14.499 -26.860 8.524 1.00 0.00 H new ATOM 0 HA LYS B 29 -16.307 -25.839 9.371 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -14.429 -23.656 10.242 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -15.979 -24.083 10.939 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -14.604 -25.060 12.472 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -14.821 -26.415 11.382 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -12.478 -26.191 12.144 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -12.615 -26.067 10.401 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -12.417 -23.618 10.503 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -12.459 -23.647 12.255 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -10.217 -23.426 11.590 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -10.389 -25.013 12.167 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -10.323 -24.721 10.496 1.00 0.00 H new ATOM 766 N THR B 30 -16.764 -23.046 8.616 1.00 0.00 N ATOM 767 CA THR B 30 -16.925 -21.782 7.870 1.00 0.00 C ATOM 768 C THR B 30 -16.153 -20.693 8.614 1.00 0.00 C ATOM 769 O THR B 30 -16.258 -20.580 9.839 1.00 0.00 O ATOM 770 CB THR B 30 -18.401 -21.404 7.661 1.00 0.00 C ATOM 771 OG1 THR B 30 -19.082 -22.459 7.011 1.00 0.00 O ATOM 772 CG2 THR B 30 -18.549 -20.162 6.776 1.00 0.00 C ATOM 0 H THR B 30 -17.171 -23.024 9.551 1.00 0.00 H new ATOM 0 HA THR B 30 -16.520 -21.902 6.865 1.00 0.00 H new ATOM 0 HB THR B 30 -18.819 -21.205 8.648 1.00 0.00 H new ATOM 0 HG1 THR B 30 -20.022 -22.212 6.883 1.00 0.00 H new ATOM 0 HG21 THR B 30 -19.606 -19.927 6.652 1.00 0.00 H new ATOM 0 HG22 THR B 30 -18.043 -19.318 7.245 1.00 0.00 H new ATOM 0 HG23 THR B 30 -18.104 -20.355 5.800 1.00 0.00 H new ATOM 780 N ARG B 31 -15.313 -19.931 7.903 1.00 0.00 N ATOM 781 CA ARG B 31 -14.255 -19.100 8.508 1.00 0.00 C ATOM 782 C ARG B 31 -14.753 -17.770 9.103 1.00 0.00 C ATOM 783 O ARG B 31 -14.615 -16.705 8.503 1.00 0.00 O ATOM 784 CB ARG B 31 -13.091 -18.951 7.507 1.00 0.00 C ATOM 785 CG ARG B 31 -12.119 -20.147 7.559 1.00 0.00 C ATOM 786 CD ARG B 31 -10.966 -20.029 8.579 1.00 0.00 C ATOM 787 NE ARG B 31 -11.386 -19.965 9.993 1.00 0.00 N ATOM 788 CZ ARG B 31 -11.725 -18.896 10.694 1.00 0.00 C ATOM 789 NH1 ARG B 31 -11.679 -17.685 10.228 1.00 0.00 N1+ ATOM 790 NH2 ARG B 31 -12.184 -18.997 11.902 1.00 0.00 N ATOM 0 H ARG B 31 -15.345 -19.871 6.885 1.00 0.00 H new ATOM 0 HA ARG B 31 -13.880 -19.620 9.389 1.00 0.00 H new ATOM 0 HB2 ARG B 31 -13.492 -18.855 6.498 1.00 0.00 H new ATOM 0 HB3 ARG B 31 -12.545 -18.032 7.722 1.00 0.00 H new ATOM 0 HG2 ARG B 31 -12.691 -21.047 7.787 1.00 0.00 H new ATOM 0 HG3 ARG B 31 -11.689 -20.286 6.567 1.00 0.00 H new ATOM 0 HD2 ARG B 31 -10.300 -20.883 8.452 1.00 0.00 H new ATOM 0 HD3 ARG B 31 -10.386 -19.135 8.347 1.00 0.00 H new ATOM 0 HE ARG B 31 -11.419 -20.855 10.490 1.00 0.00 H new ATOM 0 HH11 ARG B 31 -11.368 -17.518 9.271 1.00 0.00 H new ATOM 0 HH12 ARG B 31 -11.954 -16.900 10.819 1.00 0.00 H new ATOM 0 HH21 ARG B 31 -12.290 -19.916 12.332 1.00 0.00 H new ATOM 0 HH22 ARG B 31 -12.439 -18.158 12.423 1.00 0.00 H new ATOM 804 N ARG B 32 -15.285 -17.857 10.326 1.00 0.00 N ATOM 805 CA ARG B 32 -15.604 -16.749 11.252 1.00 0.00 C ATOM 806 C ARG B 32 -14.380 -15.885 11.580 1.00 0.00 C ATOM 807 O ARG B 32 -14.478 -14.654 11.383 1.00 0.00 O ATOM 808 CB ARG B 32 -16.285 -17.363 12.496 1.00 0.00 C ATOM 809 CG ARG B 32 -16.329 -16.552 13.808 1.00 0.00 C ATOM 810 CD ARG B 32 -16.778 -15.084 13.743 1.00 0.00 C ATOM 811 NE ARG B 32 -17.973 -14.868 12.904 1.00 0.00 N ATOM 812 CZ ARG B 32 -18.044 -14.097 11.836 1.00 0.00 C ATOM 813 NH1 ARG B 32 -17.007 -13.511 11.322 1.00 0.00 N1+ ATOM 814 NH2 ARG B 32 -19.175 -13.903 11.226 1.00 0.00 N ATOM 815 OXT ARG B 32 -13.349 -16.442 12.021 1.00 0.00 O1- ATOM 0 H ARG B 32 -15.523 -18.763 10.730 1.00 0.00 H new ATOM 0 HA ARG B 32 -16.293 -16.048 10.780 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -17.313 -17.601 12.223 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -15.785 -18.308 12.711 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -16.993 -17.072 14.498 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -15.331 -16.575 14.247 1.00 0.00 H new ATOM 0 HD2 ARG B 32 -16.985 -14.731 14.753 1.00 0.00 H new ATOM 0 HD3 ARG B 32 -15.958 -14.479 13.356 1.00 0.00 H new ATOM 0 HE ARG B 32 -18.824 -15.361 13.175 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -16.088 -13.638 11.745 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -17.111 -12.924 10.495 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -20.024 -14.350 11.572 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -19.213 -13.304 10.401 1.00 0.00 H new TER 829 ARG B 32