USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 308 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : B 1 ARG N :NH3+ -160:sc= -0.084 (180deg=-0.588) USER MOD Single : B 3 LYS NZ :NH3+ -132:sc= 1.23 (180deg=-0.924) USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 8 THR OG1 : rot 180:sc= 0 USER MOD Single : B 10 ASN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : B 15 CYS SG : rot 180:sc= 0 USER MOD Single : B 19 THR OG1 : rot 62:sc= 1.23 USER MOD Single : B 20 SER OG : rot 180:sc= 0 USER MOD Single : B 27 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot -100:sc= 1.25 USER MOD Single : B 32 CYS SG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 164:sc= -0.597! (180deg=-0.642!) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG B 1 -1.391 29.243 -3.877 1.00 1.17 N ATOM 2 CA ARG B 1 -0.901 29.184 -2.472 1.00 1.00 C ATOM 3 C ARG B 1 -1.747 28.216 -1.640 1.00 0.77 C ATOM 4 O ARG B 1 -2.971 28.200 -1.763 1.00 0.78 O ATOM 5 CB ARG B 1 -0.950 30.598 -1.880 1.00 1.13 C ATOM 6 CG ARG B 1 -0.101 31.603 -2.648 1.00 1.38 C ATOM 7 CD ARG B 1 -0.218 33.009 -2.075 1.00 1.54 C ATOM 8 NE ARG B 1 0.318 33.103 -0.719 1.00 1.49 N ATOM 9 CZ ARG B 1 0.373 34.221 -0.028 1.00 1.66 C ATOM 10 NH1 ARG B 1 -0.046 35.345 -0.549 1.00 1.83 N ATOM 11 NH2 ARG B 1 0.854 34.212 1.187 1.00 1.71 N ATOM 0 H1 ARG B 1 -0.639 29.615 -4.492 1.00 1.17 H new ATOM 0 H2 ARG B 1 -1.656 28.288 -4.193 1.00 1.17 H new ATOM 0 H3 ARG B 1 -2.221 29.867 -3.929 1.00 1.17 H new ATOM 0 HA ARG B 1 0.124 28.814 -2.456 1.00 1.00 H new ATOM 0 HB2 ARG B 1 -1.984 30.943 -1.865 1.00 1.13 H new ATOM 0 HB3 ARG B 1 -0.611 30.563 -0.845 1.00 1.13 H new ATOM 0 HG2 ARG B 1 0.942 31.288 -2.625 1.00 1.38 H new ATOM 0 HG3 ARG B 1 -0.408 31.612 -3.694 1.00 1.38 H new ATOM 0 HD2 ARG B 1 0.313 33.708 -2.722 1.00 1.54 H new ATOM 0 HD3 ARG B 1 -1.265 33.311 -2.071 1.00 1.54 H new ATOM 0 HE ARG B 1 0.670 32.251 -0.282 1.00 1.49 H new ATOM 0 HH11 ARG B 1 -0.419 35.359 -1.498 1.00 1.83 H new ATOM 0 HH12 ARG B 1 0.000 36.207 -0.006 1.00 1.83 H new ATOM 0 HH21 ARG B 1 1.186 33.339 1.598 1.00 1.71 H new ATOM 0 HH22 ARG B 1 0.898 35.078 1.725 1.00 1.71 H new ATOM 27 N ARG B 2 -1.079 27.401 -0.814 1.00 0.67 N ATOM 28 CA ARG B 2 -1.753 26.407 0.035 1.00 0.56 C ATOM 29 C ARG B 2 -2.629 25.463 -0.805 1.00 0.48 C ATOM 30 O ARG B 2 -3.842 25.355 -0.604 1.00 0.51 O ATOM 31 CB ARG B 2 -2.571 27.091 1.144 1.00 0.61 C ATOM 32 CG ARG B 2 -3.213 26.126 2.141 1.00 0.71 C ATOM 33 CD ARG B 2 -2.201 25.147 2.726 1.00 0.80 C ATOM 34 NE ARG B 2 -1.129 25.822 3.450 1.00 0.84 N ATOM 35 CZ ARG B 2 -0.127 25.200 4.033 1.00 0.99 C ATOM 36 NH1 ARG B 2 -0.053 23.893 4.007 1.00 1.13 N ATOM 37 NH2 ARG B 2 0.800 25.889 4.640 1.00 1.07 N ATOM 0 H ARG B 2 -0.064 27.410 -0.715 1.00 0.67 H new ATOM 0 HA ARG B 2 -0.985 25.802 0.516 1.00 0.56 H new ATOM 0 HB2 ARG B 2 -1.921 27.777 1.688 1.00 0.61 H new ATOM 0 HB3 ARG B 2 -3.354 27.692 0.683 1.00 0.61 H new ATOM 0 HG2 ARG B 2 -3.675 26.694 2.948 1.00 0.71 H new ATOM 0 HG3 ARG B 2 -4.009 25.571 1.646 1.00 0.71 H new ATOM 0 HD2 ARG B 2 -2.713 24.458 3.399 1.00 0.80 H new ATOM 0 HD3 ARG B 2 -1.772 24.548 1.922 1.00 0.80 H new ATOM 0 HE ARG B 2 -1.158 26.840 3.508 1.00 0.84 H new ATOM 0 HH11 ARG B 2 -0.775 23.351 3.533 1.00 1.13 H new ATOM 0 HH12 ARG B 2 0.727 23.417 4.461 1.00 1.13 H new ATOM 0 HH21 ARG B 2 0.747 26.907 4.662 1.00 1.07 H new ATOM 0 HH22 ARG B 2 1.578 25.409 5.093 1.00 1.07 H new ATOM 51 N LYS B 3 -1.994 24.785 -1.756 1.00 0.46 N ATOM 52 CA LYS B 3 -2.686 23.847 -2.640 1.00 0.43 C ATOM 53 C LYS B 3 -1.760 22.709 -3.064 1.00 0.45 C ATOM 54 O LYS B 3 -0.629 22.949 -3.500 1.00 0.56 O ATOM 55 CB LYS B 3 -3.215 24.564 -3.891 1.00 0.52 C ATOM 56 CG LYS B 3 -4.493 25.348 -3.652 1.00 0.57 C ATOM 57 CD LYS B 3 -5.648 24.424 -3.298 1.00 0.58 C ATOM 58 CE LYS B 3 -6.806 25.190 -2.683 1.00 0.68 C ATOM 59 NZ LYS B 3 -6.431 25.801 -1.377 1.00 0.66 N ATOM 0 H LYS B 3 -0.994 24.867 -1.937 1.00 0.46 H new ATOM 0 HA LYS B 3 -3.526 23.432 -2.082 1.00 0.43 H new ATOM 0 HB2 LYS B 3 -2.447 25.243 -4.262 1.00 0.52 H new ATOM 0 HB3 LYS B 3 -3.393 23.826 -4.673 1.00 0.52 H new ATOM 0 HG2 LYS B 3 -4.337 26.065 -2.846 1.00 0.57 H new ATOM 0 HG3 LYS B 3 -4.743 25.921 -4.545 1.00 0.57 H new ATOM 0 HD2 LYS B 3 -5.989 23.906 -4.194 1.00 0.58 H new ATOM 0 HD3 LYS B 3 -5.304 23.661 -2.600 1.00 0.58 H new ATOM 0 HE2 LYS B 3 -7.131 25.971 -3.370 1.00 0.68 H new ATOM 0 HE3 LYS B 3 -7.652 24.518 -2.541 1.00 0.68 H new ATOM 0 HZ1 LYS B 3 -7.164 25.588 -0.671 1.00 0.66 H new ATOM 0 HZ2 LYS B 3 -5.521 25.410 -1.060 1.00 0.66 H new ATOM 0 HZ3 LYS B 3 -6.346 26.832 -1.488 1.00 0.66 H new ATOM 73 N PRO B 4 -2.231 21.453 -2.952 1.00 0.41 N ATOM 74 CA PRO B 4 -1.442 20.278 -3.338 1.00 0.50 C ATOM 75 C PRO B 4 -1.138 20.272 -4.837 1.00 0.56 C ATOM 76 O PRO B 4 -2.050 20.268 -5.664 1.00 0.53 O ATOM 77 CB PRO B 4 -2.342 19.094 -2.964 1.00 0.48 C ATOM 78 CG PRO B 4 -3.721 19.657 -2.900 1.00 0.38 C ATOM 79 CD PRO B 4 -3.567 21.082 -2.451 1.00 0.35 C ATOM 0 HA PRO B 4 -0.472 20.252 -2.842 1.00 0.50 H new ATOM 0 HB2 PRO B 4 -2.275 18.299 -3.706 1.00 0.48 H new ATOM 0 HB3 PRO B 4 -2.048 18.662 -2.007 1.00 0.48 H new ATOM 0 HG2 PRO B 4 -4.209 19.605 -3.873 1.00 0.38 H new ATOM 0 HG3 PRO B 4 -4.341 19.093 -2.203 1.00 0.38 H new ATOM 0 HD2 PRO B 4 -4.345 21.721 -2.868 1.00 0.35 H new ATOM 0 HD3 PRO B 4 -3.629 21.171 -1.366 1.00 0.35 H new ATOM 87 N LEU B 5 0.155 20.299 -5.175 1.00 0.69 N ATOM 88 CA LEU B 5 0.604 20.321 -6.574 1.00 0.80 C ATOM 89 C LEU B 5 -0.062 21.460 -7.357 1.00 0.80 C ATOM 90 O LEU B 5 -0.353 21.311 -8.542 1.00 0.86 O ATOM 91 CB LEU B 5 0.324 18.975 -7.267 1.00 0.82 C ATOM 92 CG LEU B 5 1.262 17.816 -6.897 1.00 0.91 C ATOM 93 CD1 LEU B 5 2.717 18.222 -7.076 1.00 1.06 C ATOM 94 CD2 LEU B 5 1.008 17.332 -5.476 1.00 0.87 C ATOM 0 H LEU B 5 0.915 20.306 -4.495 1.00 0.69 H new ATOM 0 HA LEU B 5 1.680 20.493 -6.564 1.00 0.80 H new ATOM 0 HB2 LEU B 5 -0.698 18.676 -7.036 1.00 0.82 H new ATOM 0 HB3 LEU B 5 0.375 19.127 -8.345 1.00 0.82 H new ATOM 0 HG LEU B 5 1.051 16.988 -7.574 1.00 0.91 H new ATOM 0 HD11 LEU B 5 3.364 17.386 -6.808 1.00 1.06 H new ATOM 0 HD12 LEU B 5 2.892 18.498 -8.116 1.00 1.06 H new ATOM 0 HD13 LEU B 5 2.939 19.073 -6.432 1.00 1.06 H new ATOM 0 HD21 LEU B 5 1.687 16.512 -5.244 1.00 0.87 H new ATOM 0 HD22 LEU B 5 1.177 18.151 -4.777 1.00 0.87 H new ATOM 0 HD23 LEU B 5 -0.022 16.986 -5.388 1.00 0.87 H new ATOM 106 N PHE B 6 -0.305 22.590 -6.665 1.00 0.76 N ATOM 107 CA PHE B 6 -0.952 23.787 -7.244 1.00 0.79 C ATOM 108 C PHE B 6 -2.169 23.441 -8.121 1.00 0.77 C ATOM 109 O PHE B 6 -2.394 24.045 -9.169 1.00 0.90 O ATOM 110 CB PHE B 6 0.063 24.677 -8.002 1.00 0.97 C ATOM 111 CG PHE B 6 0.890 23.988 -9.061 1.00 1.10 C ATOM 112 CD1 PHE B 6 0.351 23.677 -10.301 1.00 1.16 C ATOM 113 CD2 PHE B 6 2.212 23.654 -8.810 1.00 1.20 C ATOM 114 CE1 PHE B 6 1.113 23.046 -11.266 1.00 1.30 C ATOM 115 CE2 PHE B 6 2.978 23.023 -9.772 1.00 1.34 C ATOM 116 CZ PHE B 6 2.428 22.720 -11.002 1.00 1.39 C ATOM 0 H PHE B 6 -0.057 22.700 -5.682 1.00 0.76 H new ATOM 0 HA PHE B 6 -1.333 24.366 -6.403 1.00 0.79 H new ATOM 0 HB2 PHE B 6 -0.482 25.496 -8.471 1.00 0.97 H new ATOM 0 HB3 PHE B 6 0.741 25.122 -7.273 1.00 0.97 H new ATOM 0 HD1 PHE B 6 -0.677 23.931 -10.515 1.00 1.16 H new ATOM 0 HD2 PHE B 6 2.649 23.890 -7.851 1.00 1.20 H new ATOM 0 HE1 PHE B 6 0.680 22.808 -12.226 1.00 1.30 H new ATOM 0 HE2 PHE B 6 4.006 22.767 -9.562 1.00 1.34 H new ATOM 0 HZ PHE B 6 3.026 22.229 -11.756 1.00 1.39 H new ATOM 126 N TYR B 7 -2.956 22.464 -7.674 1.00 0.65 N ATOM 127 CA TYR B 7 -4.141 22.030 -8.406 1.00 0.64 C ATOM 128 C TYR B 7 -5.263 21.617 -7.444 1.00 0.51 C ATOM 129 O TYR B 7 -5.000 21.166 -6.328 1.00 0.40 O ATOM 130 CB TYR B 7 -3.779 20.858 -9.327 1.00 0.69 C ATOM 131 CG TYR B 7 -4.923 20.366 -10.187 1.00 0.72 C ATOM 132 CD1 TYR B 7 -5.614 21.234 -11.024 1.00 0.84 C ATOM 133 CD2 TYR B 7 -5.314 19.033 -10.157 1.00 0.66 C ATOM 134 CE1 TYR B 7 -6.662 20.787 -11.807 1.00 0.91 C ATOM 135 CE2 TYR B 7 -6.360 18.579 -10.936 1.00 0.71 C ATOM 136 CZ TYR B 7 -7.031 19.459 -11.759 1.00 0.83 C ATOM 137 OH TYR B 7 -8.073 19.010 -12.535 1.00 0.92 O ATOM 0 H TYR B 7 -2.792 21.957 -6.804 1.00 0.65 H new ATOM 0 HA TYR B 7 -4.501 22.866 -9.006 1.00 0.64 H new ATOM 0 HB2 TYR B 7 -2.957 21.161 -9.975 1.00 0.69 H new ATOM 0 HB3 TYR B 7 -3.416 20.031 -8.717 1.00 0.69 H new ATOM 0 HD1 TYR B 7 -5.328 22.275 -11.063 1.00 0.84 H new ATOM 0 HD2 TYR B 7 -4.791 18.341 -9.514 1.00 0.66 H new ATOM 0 HE1 TYR B 7 -7.189 21.474 -12.453 1.00 0.91 H new ATOM 0 HE2 TYR B 7 -6.651 17.540 -10.901 1.00 0.71 H new ATOM 0 HH TYR B 7 -8.203 18.050 -12.384 1.00 0.92 H new ATOM 147 N THR B 8 -6.512 21.774 -7.884 1.00 0.58 N ATOM 148 CA THR B 8 -7.682 21.416 -7.071 1.00 0.56 C ATOM 149 C THR B 8 -7.879 19.895 -6.975 1.00 0.48 C ATOM 150 O THR B 8 -8.975 19.385 -7.209 1.00 0.59 O ATOM 151 CB THR B 8 -8.972 22.041 -7.643 1.00 0.73 C ATOM 152 OG1 THR B 8 -9.165 21.618 -9.000 1.00 0.79 O ATOM 153 CG2 THR B 8 -8.911 23.560 -7.584 1.00 0.84 C ATOM 0 H THR B 8 -6.743 22.149 -8.804 1.00 0.58 H new ATOM 0 HA THR B 8 -7.488 21.811 -6.074 1.00 0.56 H new ATOM 0 HB THR B 8 -9.811 21.703 -7.035 1.00 0.73 H new ATOM 0 HG1 THR B 8 -9.987 22.018 -9.354 1.00 0.79 H new ATOM 0 HG21 THR B 8 -9.831 23.977 -7.993 1.00 0.84 H new ATOM 0 HG22 THR B 8 -8.796 23.880 -6.548 1.00 0.84 H new ATOM 0 HG23 THR B 8 -8.062 23.913 -8.169 1.00 0.84 H new ATOM 161 N ILE B 9 -6.817 19.178 -6.628 1.00 0.33 N ATOM 162 CA ILE B 9 -6.877 17.726 -6.499 1.00 0.28 C ATOM 163 C ILE B 9 -7.085 17.300 -5.038 1.00 0.29 C ATOM 164 O ILE B 9 -6.313 17.669 -4.153 1.00 0.30 O ATOM 165 CB ILE B 9 -5.598 17.061 -7.071 1.00 0.26 C ATOM 166 CG1 ILE B 9 -5.619 15.547 -6.827 1.00 0.30 C ATOM 167 CG2 ILE B 9 -4.342 17.689 -6.475 1.00 0.30 C ATOM 168 CD1 ILE B 9 -4.416 14.821 -7.393 1.00 0.36 C ATOM 0 H ILE B 9 -5.901 19.580 -6.430 1.00 0.33 H new ATOM 0 HA ILE B 9 -7.735 17.386 -7.079 1.00 0.28 H new ATOM 0 HB ILE B 9 -5.580 17.233 -8.147 1.00 0.26 H new ATOM 0 HG12 ILE B 9 -5.672 15.362 -5.754 1.00 0.30 H new ATOM 0 HG13 ILE B 9 -6.524 15.130 -7.268 1.00 0.30 H new ATOM 0 HG21 ILE B 9 -3.460 17.204 -6.893 1.00 0.30 H new ATOM 0 HG22 ILE B 9 -4.319 18.752 -6.713 1.00 0.30 H new ATOM 0 HG23 ILE B 9 -4.349 17.559 -5.393 1.00 0.30 H new ATOM 0 HD11 ILE B 9 -4.502 13.755 -7.181 1.00 0.36 H new ATOM 0 HD12 ILE B 9 -4.373 14.975 -8.471 1.00 0.36 H new ATOM 0 HD13 ILE B 9 -3.507 15.210 -6.934 1.00 0.36 H new ATOM 180 N ASN B 10 -8.131 16.517 -4.788 1.00 0.35 N ATOM 181 CA ASN B 10 -8.429 16.050 -3.432 1.00 0.42 C ATOM 182 C ASN B 10 -7.597 14.814 -3.054 1.00 0.42 C ATOM 183 O ASN B 10 -8.115 13.860 -2.473 1.00 0.50 O ATOM 184 CB ASN B 10 -9.924 15.755 -3.287 1.00 0.53 C ATOM 185 CG ASN B 10 -10.765 17.016 -3.355 1.00 0.59 C ATOM 186 OD1 ASN B 10 -10.533 17.967 -2.616 1.00 0.65 O ATOM 187 ND2 ASN B 10 -11.756 17.033 -4.231 1.00 0.65 N ATOM 0 H ASN B 10 -8.785 16.193 -5.500 1.00 0.35 H new ATOM 0 HA ASN B 10 -8.156 16.849 -2.743 1.00 0.42 H new ATOM 0 HB2 ASN B 10 -10.236 15.069 -4.075 1.00 0.53 H new ATOM 0 HB3 ASN B 10 -10.103 15.251 -2.337 1.00 0.53 H new ATOM 0 HD21 ASN B 10 -12.355 17.855 -4.307 1.00 0.65 H new ATOM 0 HD22 ASN B 10 -11.921 16.224 -4.830 1.00 0.65 H new ATOM 194 N LEU B 11 -6.300 14.860 -3.379 1.00 0.36 N ATOM 195 CA LEU B 11 -5.354 13.774 -3.075 1.00 0.40 C ATOM 196 C LEU B 11 -5.861 12.399 -3.543 1.00 0.43 C ATOM 197 O LEU B 11 -5.784 11.416 -2.806 1.00 0.49 O ATOM 198 CB LEU B 11 -5.037 13.731 -1.570 1.00 0.49 C ATOM 199 CG LEU B 11 -4.125 14.850 -1.042 1.00 0.51 C ATOM 200 CD1 LEU B 11 -2.866 14.966 -1.889 1.00 0.51 C ATOM 201 CD2 LEU B 11 -4.860 16.183 -0.986 1.00 0.49 C ATOM 0 H LEU B 11 -5.874 15.651 -3.861 1.00 0.36 H new ATOM 0 HA LEU B 11 -4.442 13.993 -3.631 1.00 0.40 H new ATOM 0 HB2 LEU B 11 -5.977 13.765 -1.020 1.00 0.49 H new ATOM 0 HB3 LEU B 11 -4.570 12.772 -1.344 1.00 0.49 H new ATOM 0 HG LEU B 11 -3.832 14.587 -0.025 1.00 0.51 H new ATOM 0 HD11 LEU B 11 -2.236 15.764 -1.497 1.00 0.51 H new ATOM 0 HD12 LEU B 11 -2.319 14.024 -1.859 1.00 0.51 H new ATOM 0 HD13 LEU B 11 -3.140 15.193 -2.919 1.00 0.51 H new ATOM 0 HD21 LEU B 11 -4.188 16.954 -0.608 1.00 0.49 H new ATOM 0 HD22 LEU B 11 -5.198 16.454 -1.986 1.00 0.49 H new ATOM 0 HD23 LEU B 11 -5.721 16.096 -0.323 1.00 0.49 H new ATOM 213 N ILE B 12 -6.379 12.338 -4.768 1.00 0.42 N ATOM 214 CA ILE B 12 -6.900 11.084 -5.318 1.00 0.46 C ATOM 215 C ILE B 12 -5.785 10.054 -5.586 1.00 0.47 C ATOM 216 O ILE B 12 -5.961 8.864 -5.318 1.00 0.50 O ATOM 217 CB ILE B 12 -7.722 11.332 -6.611 1.00 0.50 C ATOM 218 CG1 ILE B 12 -8.307 10.019 -7.145 1.00 0.57 C ATOM 219 CG2 ILE B 12 -6.880 12.013 -7.680 1.00 0.51 C ATOM 220 CD1 ILE B 12 -9.317 9.379 -6.215 1.00 0.63 C ATOM 0 H ILE B 12 -6.450 13.137 -5.398 1.00 0.42 H new ATOM 0 HA ILE B 12 -7.561 10.666 -4.558 1.00 0.46 H new ATOM 0 HB ILE B 12 -8.545 11.999 -6.356 1.00 0.50 H new ATOM 0 HG12 ILE B 12 -8.782 10.208 -8.108 1.00 0.57 H new ATOM 0 HG13 ILE B 12 -7.494 9.315 -7.323 1.00 0.57 H new ATOM 0 HG21 ILE B 12 -7.485 12.173 -8.573 1.00 0.51 H new ATOM 0 HG22 ILE B 12 -6.524 12.973 -7.306 1.00 0.51 H new ATOM 0 HG23 ILE B 12 -6.027 11.382 -7.928 1.00 0.51 H new ATOM 0 HD11 ILE B 12 -9.687 8.455 -6.660 1.00 0.63 H new ATOM 0 HD12 ILE B 12 -8.842 9.157 -5.259 1.00 0.63 H new ATOM 0 HD13 ILE B 12 -10.150 10.064 -6.056 1.00 0.63 H new ATOM 232 N ILE B 13 -4.644 10.514 -6.109 1.00 0.49 N ATOM 233 CA ILE B 13 -3.513 9.629 -6.410 1.00 0.54 C ATOM 234 C ILE B 13 -3.049 8.843 -5.168 1.00 0.54 C ATOM 235 O ILE B 13 -3.120 7.614 -5.156 1.00 0.56 O ATOM 236 CB ILE B 13 -2.328 10.418 -7.013 1.00 0.59 C ATOM 237 CG1 ILE B 13 -2.755 11.101 -8.316 1.00 0.62 C ATOM 238 CG2 ILE B 13 -1.138 9.500 -7.251 1.00 0.65 C ATOM 239 CD1 ILE B 13 -1.683 11.980 -8.925 1.00 0.70 C ATOM 0 H ILE B 13 -4.479 11.495 -6.333 1.00 0.49 H new ATOM 0 HA ILE B 13 -3.866 8.910 -7.149 1.00 0.54 H new ATOM 0 HB ILE B 13 -2.025 11.187 -6.302 1.00 0.59 H new ATOM 0 HG12 ILE B 13 -3.040 10.337 -9.039 1.00 0.62 H new ATOM 0 HG13 ILE B 13 -3.642 11.705 -8.125 1.00 0.62 H new ATOM 0 HG21 ILE B 13 -0.315 10.074 -7.676 1.00 0.65 H new ATOM 0 HG22 ILE B 13 -0.823 9.060 -6.305 1.00 0.65 H new ATOM 0 HG23 ILE B 13 -1.423 8.708 -7.943 1.00 0.65 H new ATOM 0 HD11 ILE B 13 -2.059 12.429 -9.844 1.00 0.70 H new ATOM 0 HD12 ILE B 13 -1.414 12.767 -8.220 1.00 0.70 H new ATOM 0 HD13 ILE B 13 -0.803 11.378 -9.149 1.00 0.70 H new ATOM 251 N PRO B 14 -2.589 9.522 -4.091 1.00 0.55 N ATOM 252 CA PRO B 14 -2.156 8.833 -2.870 1.00 0.58 C ATOM 253 C PRO B 14 -3.263 7.943 -2.298 1.00 0.56 C ATOM 254 O PRO B 14 -3.002 6.830 -1.843 1.00 0.59 O ATOM 255 CB PRO B 14 -1.823 9.974 -1.896 1.00 0.61 C ATOM 256 CG PRO B 14 -2.460 11.189 -2.478 1.00 0.57 C ATOM 257 CD PRO B 14 -2.461 10.982 -3.963 1.00 0.55 C ATOM 0 HA PRO B 14 -1.312 8.169 -3.055 1.00 0.58 H new ATOM 0 HB2 PRO B 14 -2.212 9.766 -0.899 1.00 0.61 H new ATOM 0 HB3 PRO B 14 -0.745 10.104 -1.797 1.00 0.61 H new ATOM 0 HG2 PRO B 14 -3.475 11.317 -2.101 1.00 0.57 H new ATOM 0 HG3 PRO B 14 -1.905 12.088 -2.209 1.00 0.57 H new ATOM 0 HD2 PRO B 14 -3.289 11.504 -4.443 1.00 0.55 H new ATOM 0 HD3 PRO B 14 -1.543 11.349 -4.423 1.00 0.55 H new ATOM 265 N CYS B 15 -4.501 8.436 -2.343 1.00 0.52 N ATOM 266 CA CYS B 15 -5.655 7.686 -1.844 1.00 0.53 C ATOM 267 C CYS B 15 -5.837 6.361 -2.589 1.00 0.52 C ATOM 268 O CYS B 15 -5.920 5.300 -1.964 1.00 0.54 O ATOM 269 CB CYS B 15 -6.929 8.525 -1.966 1.00 0.53 C ATOM 270 SG CYS B 15 -8.431 7.669 -1.435 1.00 0.60 S ATOM 0 H CYS B 15 -4.731 9.355 -2.721 1.00 0.52 H new ATOM 0 HA CYS B 15 -5.466 7.460 -0.794 1.00 0.53 H new ATOM 0 HB2 CYS B 15 -6.812 9.432 -1.373 1.00 0.53 H new ATOM 0 HB3 CYS B 15 -7.048 8.836 -3.004 1.00 0.53 H new ATOM 0 HG CYS B 15 -9.453 8.460 -1.574 1.00 0.60 H new ATOM 276 N VAL B 16 -5.894 6.412 -3.924 1.00 0.52 N ATOM 277 CA VAL B 16 -6.064 5.193 -4.716 1.00 0.54 C ATOM 278 C VAL B 16 -4.845 4.268 -4.577 1.00 0.56 C ATOM 279 O VAL B 16 -5.000 3.054 -4.448 1.00 0.57 O ATOM 280 CB VAL B 16 -6.369 5.489 -6.208 1.00 0.58 C ATOM 281 CG1 VAL B 16 -5.209 6.179 -6.897 1.00 0.61 C ATOM 282 CG2 VAL B 16 -6.746 4.211 -6.941 1.00 0.61 C ATOM 0 H VAL B 16 -5.826 7.271 -4.470 1.00 0.52 H new ATOM 0 HA VAL B 16 -6.935 4.678 -4.312 1.00 0.54 H new ATOM 0 HB VAL B 16 -7.217 6.173 -6.238 1.00 0.58 H new ATOM 0 HG11 VAL B 16 -5.465 6.368 -7.940 1.00 0.61 H new ATOM 0 HG12 VAL B 16 -5.000 7.125 -6.398 1.00 0.61 H new ATOM 0 HG13 VAL B 16 -4.326 5.541 -6.850 1.00 0.61 H new ATOM 0 HG21 VAL B 16 -6.956 4.439 -7.986 1.00 0.61 H new ATOM 0 HG22 VAL B 16 -5.920 3.502 -6.884 1.00 0.61 H new ATOM 0 HG23 VAL B 16 -7.632 3.775 -6.480 1.00 0.61 H new ATOM 292 N LEU B 17 -3.638 4.843 -4.574 1.00 0.58 N ATOM 293 CA LEU B 17 -2.415 4.054 -4.418 1.00 0.63 C ATOM 294 C LEU B 17 -2.411 3.319 -3.077 1.00 0.63 C ATOM 295 O LEU B 17 -2.226 2.104 -3.032 1.00 0.65 O ATOM 296 CB LEU B 17 -1.180 4.950 -4.529 1.00 0.69 C ATOM 297 CG LEU B 17 -0.577 5.077 -5.933 1.00 0.75 C ATOM 298 CD1 LEU B 17 -1.631 5.489 -6.949 1.00 0.73 C ATOM 299 CD2 LEU B 17 0.566 6.079 -5.920 1.00 0.82 C ATOM 0 H LEU B 17 -3.483 5.846 -4.677 1.00 0.58 H new ATOM 0 HA LEU B 17 -2.386 3.315 -5.219 1.00 0.63 H new ATOM 0 HB2 LEU B 17 -1.443 5.947 -4.175 1.00 0.69 H new ATOM 0 HB3 LEU B 17 -0.413 4.565 -3.857 1.00 0.69 H new ATOM 0 HG LEU B 17 -0.192 4.101 -6.228 1.00 0.75 H new ATOM 0 HD11 LEU B 17 -1.174 5.571 -7.935 1.00 0.73 H new ATOM 0 HD12 LEU B 17 -2.422 4.739 -6.977 1.00 0.73 H new ATOM 0 HD13 LEU B 17 -2.054 6.452 -6.664 1.00 0.73 H new ATOM 0 HD21 LEU B 17 0.988 6.163 -6.921 1.00 0.82 H new ATOM 0 HD22 LEU B 17 0.193 7.052 -5.601 1.00 0.82 H new ATOM 0 HD23 LEU B 17 1.338 5.742 -5.228 1.00 0.82 H new ATOM 311 N ILE B 18 -2.643 4.057 -1.987 1.00 0.61 N ATOM 312 CA ILE B 18 -2.687 3.458 -0.654 1.00 0.64 C ATOM 313 C ILE B 18 -3.794 2.404 -0.571 1.00 0.60 C ATOM 314 O ILE B 18 -3.581 1.308 -0.051 1.00 0.63 O ATOM 315 CB ILE B 18 -2.888 4.523 0.445 1.00 0.67 C ATOM 316 CG1 ILE B 18 -1.644 5.407 0.531 1.00 0.73 C ATOM 317 CG2 ILE B 18 -3.177 3.868 1.793 1.00 0.74 C ATOM 318 CD1 ILE B 18 -1.748 6.502 1.566 1.00 0.81 C ATOM 0 H ILE B 18 -2.802 5.064 -2.003 1.00 0.61 H new ATOM 0 HA ILE B 18 -1.724 2.977 -0.484 1.00 0.64 H new ATOM 0 HB ILE B 18 -3.749 5.140 0.186 1.00 0.67 H new ATOM 0 HG12 ILE B 18 -0.781 4.783 0.761 1.00 0.73 H new ATOM 0 HG13 ILE B 18 -1.461 5.857 -0.445 1.00 0.73 H new ATOM 0 HG21 ILE B 18 -3.315 4.640 2.550 1.00 0.74 H new ATOM 0 HG22 ILE B 18 -4.083 3.267 1.719 1.00 0.74 H new ATOM 0 HG23 ILE B 18 -2.340 3.229 2.074 1.00 0.74 H new ATOM 0 HD11 ILE B 18 -0.829 7.088 1.570 1.00 0.81 H new ATOM 0 HD12 ILE B 18 -2.591 7.150 1.326 1.00 0.81 H new ATOM 0 HD13 ILE B 18 -1.900 6.059 2.550 1.00 0.81 H new ATOM 330 N THR B 19 -4.969 2.732 -1.115 1.00 0.57 N ATOM 331 CA THR B 19 -6.097 1.798 -1.125 1.00 0.56 C ATOM 332 C THR B 19 -5.727 0.519 -1.882 1.00 0.55 C ATOM 333 O THR B 19 -5.988 -0.589 -1.412 1.00 0.57 O ATOM 334 CB THR B 19 -7.354 2.424 -1.767 1.00 0.57 C ATOM 335 OG1 THR B 19 -7.708 3.629 -1.078 1.00 0.60 O ATOM 336 CG2 THR B 19 -8.530 1.459 -1.729 1.00 0.61 C ATOM 0 H THR B 19 -5.163 3.633 -1.552 1.00 0.57 H new ATOM 0 HA THR B 19 -6.324 1.559 -0.086 1.00 0.56 H new ATOM 0 HB THR B 19 -7.122 2.648 -2.808 1.00 0.57 H new ATOM 0 HG1 THR B 19 -6.976 4.276 -1.154 1.00 0.60 H new ATOM 0 HG21 THR B 19 -9.400 1.928 -2.188 1.00 0.61 H new ATOM 0 HG22 THR B 19 -8.275 0.552 -2.278 1.00 0.61 H new ATOM 0 HG23 THR B 19 -8.759 1.205 -0.694 1.00 0.61 H new ATOM 344 N SER B 20 -5.095 0.686 -3.048 1.00 0.55 N ATOM 345 CA SER B 20 -4.662 -0.451 -3.867 1.00 0.58 C ATOM 346 C SER B 20 -3.674 -1.329 -3.099 1.00 0.60 C ATOM 347 O SER B 20 -3.855 -2.543 -3.011 1.00 0.60 O ATOM 348 CB SER B 20 -4.020 0.037 -5.169 1.00 0.63 C ATOM 349 OG SER B 20 -3.535 -1.048 -5.944 1.00 0.71 O ATOM 0 H SER B 20 -4.872 1.598 -3.446 1.00 0.55 H new ATOM 0 HA SER B 20 -5.543 -1.045 -4.108 1.00 0.58 H new ATOM 0 HB2 SER B 20 -4.751 0.602 -5.748 1.00 0.63 H new ATOM 0 HB3 SER B 20 -3.200 0.718 -4.940 1.00 0.63 H new ATOM 0 HG SER B 20 -3.132 -0.706 -6.769 1.00 0.71 H new ATOM 355 N LEU B 21 -2.640 -0.707 -2.529 1.00 0.63 N ATOM 356 CA LEU B 21 -1.640 -1.432 -1.752 1.00 0.67 C ATOM 357 C LEU B 21 -2.288 -2.155 -0.571 1.00 0.64 C ATOM 358 O LEU B 21 -2.006 -3.332 -0.319 1.00 0.65 O ATOM 359 CB LEU B 21 -0.574 -0.462 -1.254 1.00 0.75 C ATOM 360 CG LEU B 21 0.078 0.380 -2.348 1.00 0.79 C ATOM 361 CD1 LEU B 21 1.000 1.420 -1.740 1.00 0.88 C ATOM 362 CD2 LEU B 21 0.832 -0.510 -3.324 1.00 0.85 C ATOM 0 H LEU B 21 -2.476 0.298 -2.593 1.00 0.63 H new ATOM 0 HA LEU B 21 -1.175 -2.180 -2.394 1.00 0.67 H new ATOM 0 HB2 LEU B 21 -1.023 0.206 -0.519 1.00 0.75 H new ATOM 0 HB3 LEU B 21 0.202 -1.028 -0.738 1.00 0.75 H new ATOM 0 HG LEU B 21 -0.705 0.902 -2.898 1.00 0.79 H new ATOM 0 HD11 LEU B 21 1.456 2.011 -2.534 1.00 0.88 H new ATOM 0 HD12 LEU B 21 0.427 2.075 -1.084 1.00 0.88 H new ATOM 0 HD13 LEU B 21 1.780 0.922 -1.164 1.00 0.88 H new ATOM 0 HD21 LEU B 21 1.291 0.106 -4.098 1.00 0.85 H new ATOM 0 HD22 LEU B 21 1.607 -1.060 -2.791 1.00 0.85 H new ATOM 0 HD23 LEU B 21 0.139 -1.214 -3.784 1.00 0.85 H new ATOM 374 N ALA B 22 -3.178 -1.453 0.138 1.00 0.63 N ATOM 375 CA ALA B 22 -3.874 -2.048 1.274 1.00 0.64 C ATOM 376 C ALA B 22 -4.646 -3.283 0.844 1.00 0.60 C ATOM 377 O ALA B 22 -4.397 -4.357 1.351 1.00 0.62 O ATOM 378 CB ALA B 22 -4.808 -1.054 1.945 1.00 0.67 C ATOM 0 H ALA B 22 -3.429 -0.483 -0.055 1.00 0.63 H new ATOM 0 HA ALA B 22 -3.117 -2.339 2.002 1.00 0.64 H new ATOM 0 HB1 ALA B 22 -5.308 -1.535 2.786 1.00 0.67 H new ATOM 0 HB2 ALA B 22 -4.233 -0.200 2.304 1.00 0.67 H new ATOM 0 HB3 ALA B 22 -5.554 -0.713 1.227 1.00 0.67 H new ATOM 384 N ILE B 23 -5.556 -3.134 -0.113 1.00 0.57 N ATOM 385 CA ILE B 23 -6.337 -4.275 -0.612 1.00 0.56 C ATOM 386 C ILE B 23 -5.416 -5.384 -1.135 1.00 0.55 C ATOM 387 O ILE B 23 -5.697 -6.560 -0.945 1.00 0.55 O ATOM 388 CB ILE B 23 -7.328 -3.846 -1.720 1.00 0.57 C ATOM 389 CG1 ILE B 23 -8.275 -2.764 -1.192 1.00 0.61 C ATOM 390 CG2 ILE B 23 -8.125 -5.043 -2.225 1.00 0.60 C ATOM 391 CD1 ILE B 23 -9.257 -2.256 -2.227 1.00 0.65 C ATOM 0 H ILE B 23 -5.775 -2.244 -0.560 1.00 0.57 H new ATOM 0 HA ILE B 23 -6.913 -4.662 0.229 1.00 0.56 H new ATOM 0 HB ILE B 23 -6.756 -3.439 -2.554 1.00 0.57 H new ATOM 0 HG12 ILE B 23 -8.830 -3.162 -0.343 1.00 0.61 H new ATOM 0 HG13 ILE B 23 -7.684 -1.926 -0.822 1.00 0.61 H new ATOM 0 HG21 ILE B 23 -8.815 -4.718 -3.003 1.00 0.60 H new ATOM 0 HG22 ILE B 23 -7.443 -5.788 -2.633 1.00 0.60 H new ATOM 0 HG23 ILE B 23 -8.688 -5.480 -1.400 1.00 0.60 H new ATOM 0 HD11 ILE B 23 -9.894 -1.493 -1.780 1.00 0.65 H new ATOM 0 HD12 ILE B 23 -8.711 -1.827 -3.067 1.00 0.65 H new ATOM 0 HD13 ILE B 23 -9.874 -3.082 -2.580 1.00 0.65 H new ATOM 403 N LEU B 24 -4.304 -5.010 -1.764 1.00 0.57 N ATOM 404 CA LEU B 24 -3.348 -5.998 -2.267 1.00 0.61 C ATOM 405 C LEU B 24 -2.823 -6.854 -1.102 1.00 0.62 C ATOM 406 O LEU B 24 -2.770 -8.080 -1.191 1.00 0.63 O ATOM 407 CB LEU B 24 -2.195 -5.288 -2.995 1.00 0.68 C ATOM 408 CG LEU B 24 -1.407 -6.133 -4.011 1.00 0.78 C ATOM 409 CD1 LEU B 24 -0.501 -7.142 -3.319 1.00 0.89 C ATOM 410 CD2 LEU B 24 -2.361 -6.841 -4.962 1.00 0.90 C ATOM 0 H LEU B 24 -4.043 -4.039 -1.937 1.00 0.57 H new ATOM 0 HA LEU B 24 -3.845 -6.656 -2.979 1.00 0.61 H new ATOM 0 HB2 LEU B 24 -2.601 -4.420 -3.514 1.00 0.68 H new ATOM 0 HB3 LEU B 24 -1.497 -4.914 -2.246 1.00 0.68 H new ATOM 0 HG LEU B 24 -0.772 -5.457 -4.583 1.00 0.78 H new ATOM 0 HD11 LEU B 24 0.039 -7.720 -4.069 1.00 0.89 H new ATOM 0 HD12 LEU B 24 0.212 -6.616 -2.684 1.00 0.89 H new ATOM 0 HD13 LEU B 24 -1.104 -7.814 -2.708 1.00 0.89 H new ATOM 0 HD21 LEU B 24 -1.790 -7.435 -5.675 1.00 0.90 H new ATOM 0 HD22 LEU B 24 -3.023 -7.494 -4.394 1.00 0.90 H new ATOM 0 HD23 LEU B 24 -2.955 -6.101 -5.499 1.00 0.90 H new ATOM 422 N VAL B 25 -2.458 -6.194 -0.001 1.00 0.64 N ATOM 423 CA VAL B 25 -1.961 -6.889 1.194 1.00 0.68 C ATOM 424 C VAL B 25 -3.114 -7.509 2.005 1.00 0.65 C ATOM 425 O VAL B 25 -3.046 -8.657 2.442 1.00 0.66 O ATOM 426 CB VAL B 25 -1.182 -5.910 2.103 1.00 0.77 C ATOM 427 CG1 VAL B 25 -0.798 -6.562 3.425 1.00 0.84 C ATOM 428 CG2 VAL B 25 0.054 -5.388 1.387 1.00 0.84 C ATOM 0 H VAL B 25 -2.496 -5.179 0.090 1.00 0.64 H new ATOM 0 HA VAL B 25 -1.300 -7.686 0.853 1.00 0.68 H new ATOM 0 HB VAL B 25 -1.839 -5.069 2.326 1.00 0.77 H new ATOM 0 HG11 VAL B 25 -0.252 -5.846 4.039 1.00 0.84 H new ATOM 0 HG12 VAL B 25 -1.699 -6.877 3.950 1.00 0.84 H new ATOM 0 HG13 VAL B 25 -0.167 -7.430 3.233 1.00 0.84 H new ATOM 0 HG21 VAL B 25 0.590 -4.700 2.041 1.00 0.84 H new ATOM 0 HG22 VAL B 25 0.704 -6.223 1.127 1.00 0.84 H new ATOM 0 HG23 VAL B 25 -0.245 -4.865 0.479 1.00 0.84 H new ATOM 438 N PHE B 26 -4.153 -6.710 2.204 1.00 0.63 N ATOM 439 CA PHE B 26 -5.347 -7.087 2.962 1.00 0.65 C ATOM 440 C PHE B 26 -6.100 -8.257 2.324 1.00 0.60 C ATOM 441 O PHE B 26 -6.424 -9.237 2.990 1.00 0.61 O ATOM 442 CB PHE B 26 -6.272 -5.863 3.059 1.00 0.67 C ATOM 443 CG PHE B 26 -5.823 -4.822 4.057 1.00 0.74 C ATOM 444 CD1 PHE B 26 -4.483 -4.688 4.397 1.00 0.79 C ATOM 445 CD2 PHE B 26 -6.743 -3.971 4.648 1.00 0.85 C ATOM 446 CE1 PHE B 26 -4.072 -3.734 5.304 1.00 0.87 C ATOM 447 CE2 PHE B 26 -6.336 -3.013 5.558 1.00 0.93 C ATOM 448 CZ PHE B 26 -5.000 -2.895 5.888 1.00 0.92 C ATOM 0 H PHE B 26 -4.194 -5.759 1.836 1.00 0.63 H new ATOM 0 HA PHE B 26 -5.031 -7.416 3.952 1.00 0.65 H new ATOM 0 HB2 PHE B 26 -6.345 -5.399 2.076 1.00 0.67 H new ATOM 0 HB3 PHE B 26 -7.273 -6.199 3.328 1.00 0.67 H new ATOM 0 HD1 PHE B 26 -3.752 -5.341 3.944 1.00 0.79 H new ATOM 0 HD2 PHE B 26 -7.789 -4.057 4.395 1.00 0.85 H new ATOM 0 HE1 PHE B 26 -3.026 -3.643 5.557 1.00 0.87 H new ATOM 0 HE2 PHE B 26 -7.064 -2.356 6.011 1.00 0.93 H new ATOM 0 HZ PHE B 26 -4.682 -2.149 6.601 1.00 0.92 H new ATOM 458 N TYR B 27 -6.373 -8.145 1.032 1.00 0.57 N ATOM 459 CA TYR B 27 -7.084 -9.186 0.294 1.00 0.57 C ATOM 460 C TYR B 27 -6.098 -10.144 -0.381 1.00 0.55 C ATOM 461 O TYR B 27 -6.314 -10.578 -1.514 1.00 0.59 O ATOM 462 CB TYR B 27 -7.995 -8.551 -0.766 1.00 0.61 C ATOM 463 CG TYR B 27 -9.183 -7.780 -0.223 1.00 0.66 C ATOM 464 CD1 TYR B 27 -9.035 -6.814 0.766 1.00 0.67 C ATOM 465 CD2 TYR B 27 -10.459 -8.012 -0.722 1.00 0.76 C ATOM 466 CE1 TYR B 27 -10.120 -6.105 1.241 1.00 0.74 C ATOM 467 CE2 TYR B 27 -11.550 -7.309 -0.250 1.00 0.83 C ATOM 468 CZ TYR B 27 -11.376 -6.356 0.732 1.00 0.82 C ATOM 469 OH TYR B 27 -12.462 -5.651 1.202 1.00 0.92 O ATOM 0 H TYR B 27 -6.111 -7.337 0.467 1.00 0.57 H new ATOM 0 HA TYR B 27 -7.691 -9.752 1.001 1.00 0.57 H new ATOM 0 HB2 TYR B 27 -7.396 -7.878 -1.380 1.00 0.61 H new ATOM 0 HB3 TYR B 27 -8.364 -9.339 -1.423 1.00 0.61 H new ATOM 0 HD1 TYR B 27 -8.053 -6.615 1.170 1.00 0.67 H new ATOM 0 HD2 TYR B 27 -10.600 -8.755 -1.493 1.00 0.76 H new ATOM 0 HE1 TYR B 27 -9.985 -5.357 2.008 1.00 0.74 H new ATOM 0 HE2 TYR B 27 -12.535 -7.504 -0.648 1.00 0.83 H new ATOM 0 HH TYR B 27 -13.272 -5.949 0.737 1.00 0.92 H new ATOM 479 N LEU B 28 -5.008 -10.459 0.314 1.00 0.55 N ATOM 480 CA LEU B 28 -3.984 -11.354 -0.226 1.00 0.57 C ATOM 481 C LEU B 28 -4.522 -12.779 -0.434 1.00 0.55 C ATOM 482 O LEU B 28 -5.309 -13.289 0.368 1.00 0.49 O ATOM 483 CB LEU B 28 -2.705 -11.337 0.656 1.00 0.62 C ATOM 484 CG LEU B 28 -2.734 -12.030 2.042 1.00 0.61 C ATOM 485 CD1 LEU B 28 -4.018 -11.753 2.813 1.00 0.57 C ATOM 486 CD2 LEU B 28 -2.488 -13.526 1.914 1.00 0.60 C ATOM 0 H LEU B 28 -4.810 -10.109 1.251 1.00 0.55 H new ATOM 0 HA LEU B 28 -3.705 -10.980 -1.211 1.00 0.57 H new ATOM 0 HB2 LEU B 28 -1.901 -11.793 0.078 1.00 0.62 H new ATOM 0 HB3 LEU B 28 -2.430 -10.294 0.816 1.00 0.62 H new ATOM 0 HG LEU B 28 -1.920 -11.595 2.622 1.00 0.61 H new ATOM 0 HD11 LEU B 28 -3.982 -12.264 3.775 1.00 0.57 H new ATOM 0 HD12 LEU B 28 -4.121 -10.680 2.975 1.00 0.57 H new ATOM 0 HD13 LEU B 28 -4.872 -12.117 2.241 1.00 0.57 H new ATOM 0 HD21 LEU B 28 -2.514 -13.985 2.902 1.00 0.60 H new ATOM 0 HD22 LEU B 28 -3.262 -13.970 1.287 1.00 0.60 H new ATOM 0 HD23 LEU B 28 -1.512 -13.697 1.460 1.00 0.60 H new ATOM 498 N PRO B 29 -4.115 -13.433 -1.539 1.00 0.64 N ATOM 499 CA PRO B 29 -4.556 -14.796 -1.880 1.00 0.66 C ATOM 500 C PRO B 29 -4.013 -15.864 -0.920 1.00 0.52 C ATOM 501 O PRO B 29 -3.178 -16.683 -1.300 1.00 0.59 O ATOM 502 CB PRO B 29 -3.999 -15.019 -3.296 1.00 0.85 C ATOM 503 CG PRO B 29 -3.580 -13.673 -3.781 1.00 0.92 C ATOM 504 CD PRO B 29 -3.205 -12.891 -2.559 1.00 0.77 C ATOM 0 HA PRO B 29 -5.640 -14.887 -1.812 1.00 0.66 H new ATOM 0 HB2 PRO B 29 -3.156 -15.710 -3.281 1.00 0.85 H new ATOM 0 HB3 PRO B 29 -4.755 -15.453 -3.950 1.00 0.85 H new ATOM 0 HG2 PRO B 29 -2.737 -13.751 -4.468 1.00 0.92 H new ATOM 0 HG3 PRO B 29 -4.389 -13.185 -4.323 1.00 0.92 H new ATOM 0 HD2 PRO B 29 -2.159 -13.038 -2.289 1.00 0.77 H new ATOM 0 HD3 PRO B 29 -3.349 -11.820 -2.703 1.00 0.77 H new ATOM 512 N SER B 30 -4.483 -15.841 0.324 1.00 0.40 N ATOM 513 CA SER B 30 -4.040 -16.805 1.335 1.00 0.33 C ATOM 514 C SER B 30 -4.489 -18.222 0.987 1.00 0.33 C ATOM 515 O SER B 30 -5.688 -18.507 0.924 1.00 0.46 O ATOM 516 CB SER B 30 -4.591 -16.425 2.714 1.00 0.39 C ATOM 517 OG SER B 30 -4.133 -17.321 3.714 1.00 0.45 O ATOM 0 H SER B 30 -5.171 -15.166 0.659 1.00 0.40 H new ATOM 0 HA SER B 30 -2.950 -16.779 1.356 1.00 0.33 H new ATOM 0 HB2 SER B 30 -4.284 -15.409 2.964 1.00 0.39 H new ATOM 0 HB3 SER B 30 -5.681 -16.431 2.688 1.00 0.39 H new ATOM 0 HG SER B 30 -4.832 -17.980 3.908 1.00 0.45 H new ATOM 523 N ASP B 31 -3.525 -19.115 0.772 1.00 0.46 N ATOM 524 CA ASP B 31 -3.839 -20.501 0.442 1.00 0.58 C ATOM 525 C ASP B 31 -2.614 -21.409 0.598 1.00 0.85 C ATOM 526 O ASP B 31 -1.659 -21.315 -0.171 1.00 1.08 O ATOM 527 CB ASP B 31 -4.369 -20.597 -0.991 1.00 0.71 C ATOM 528 CG ASP B 31 -5.325 -21.754 -1.163 1.00 0.78 C ATOM 529 OD1 ASP B 31 -5.716 -22.351 -0.134 1.00 0.78 O ATOM 530 OD2 ASP B 31 -5.707 -22.047 -2.313 1.00 0.96 O ATOM 0 H ASP B 31 -2.528 -18.905 0.820 1.00 0.46 H new ATOM 0 HA ASP B 31 -4.605 -20.839 1.139 1.00 0.58 H new ATOM 0 HB2 ASP B 31 -4.873 -19.667 -1.254 1.00 0.71 H new ATOM 0 HB3 ASP B 31 -3.532 -20.712 -1.680 1.00 0.71 H new ATOM 535 N CYS B 32 -2.658 -22.290 1.597 1.00 0.98 N ATOM 536 CA CYS B 32 -1.555 -23.228 1.857 1.00 1.31 C ATOM 537 C CYS B 32 -1.929 -24.243 2.941 1.00 1.48 C ATOM 538 O CYS B 32 -1.608 -25.427 2.838 1.00 1.68 O ATOM 539 CB CYS B 32 -0.289 -22.475 2.283 1.00 1.52 C ATOM 540 SG CYS B 32 1.142 -23.544 2.576 1.00 1.97 S ATOM 0 H CYS B 32 -3.443 -22.377 2.242 1.00 0.98 H new ATOM 0 HA CYS B 32 -1.362 -23.763 0.927 1.00 1.31 H new ATOM 0 HB2 CYS B 32 -0.034 -21.748 1.512 1.00 1.52 H new ATOM 0 HB3 CYS B 32 -0.502 -21.913 3.192 1.00 1.52 H new ATOM 0 HG CYS B 32 2.161 -22.818 2.929 1.00 1.97 H new ATOM 546 N GLY B 33 -2.604 -23.765 3.980 1.00 1.47 N ATOM 547 CA GLY B 33 -3.014 -24.632 5.077 1.00 1.73 C ATOM 548 C GLY B 33 -3.521 -23.841 6.271 1.00 1.78 C ATOM 549 O GLY B 33 -3.285 -24.206 7.422 1.00 2.07 O ATOM 0 H GLY B 33 -2.877 -22.788 4.085 1.00 1.47 H new ATOM 0 HA2 GLY B 33 -3.796 -25.308 4.732 1.00 1.73 H new ATOM 0 HA3 GLY B 33 -2.171 -25.251 5.384 1.00 1.73 H new ATOM 553 N GLU B 34 -4.206 -22.743 5.983 1.00 1.54 N ATOM 554 CA GLU B 34 -4.747 -21.861 7.015 1.00 1.62 C ATOM 555 C GLU B 34 -6.271 -21.978 7.115 1.00 1.74 C ATOM 556 O GLU B 34 -6.832 -21.998 8.211 1.00 2.02 O ATOM 557 CB GLU B 34 -4.350 -20.402 6.726 1.00 1.39 C ATOM 558 CG GLU B 34 -3.624 -20.202 5.397 1.00 1.10 C ATOM 559 CD GLU B 34 -4.507 -20.463 4.187 1.00 0.87 C ATOM 560 OE1 GLU B 34 -5.329 -19.588 3.846 1.00 0.74 O ATOM 561 OE2 GLU B 34 -4.396 -21.562 3.595 1.00 0.97 O ATOM 0 H GLU B 34 -4.404 -22.437 5.030 1.00 1.54 H new ATOM 0 HA GLU B 34 -4.324 -22.170 7.971 1.00 1.62 H new ATOM 0 HB2 GLU B 34 -5.248 -19.785 6.733 1.00 1.39 H new ATOM 0 HB3 GLU B 34 -3.711 -20.044 7.534 1.00 1.39 H new ATOM 0 HG2 GLU B 34 -3.244 -19.182 5.348 1.00 1.10 H new ATOM 0 HG3 GLU B 34 -2.760 -20.866 5.359 1.00 1.10 H new ATOM 568 N LYS B 35 -6.930 -22.046 5.962 1.00 1.59 N ATOM 569 CA LYS B 35 -8.391 -22.154 5.905 1.00 1.80 C ATOM 570 C LYS B 35 -8.869 -23.578 6.212 1.00 2.09 C ATOM 571 O LYS B 35 -9.687 -23.740 7.143 1.00 2.41 O ATOM 572 CB LYS B 35 -8.891 -21.731 4.523 1.00 1.63 C ATOM 573 CG LYS B 35 -8.470 -20.324 4.128 1.00 1.38 C ATOM 574 CD LYS B 35 -8.859 -20.008 2.692 1.00 1.28 C ATOM 575 CE LYS B 35 -8.200 -20.965 1.707 1.00 1.09 C ATOM 576 NZ LYS B 35 -6.715 -20.859 1.725 1.00 0.77 N ATOM 577 OXT LYS B 35 -8.432 -24.516 5.508 1.00 2.04 O ATOM 0 H LYS B 35 -6.476 -22.028 5.049 1.00 1.59 H new ATOM 0 HA LYS B 35 -8.801 -21.491 6.667 1.00 1.80 H new ATOM 0 HB2 LYS B 35 -8.518 -22.435 3.779 1.00 1.63 H new ATOM 0 HB3 LYS B 35 -9.979 -21.795 4.504 1.00 1.63 H new ATOM 0 HG2 LYS B 35 -8.935 -19.602 4.799 1.00 1.38 H new ATOM 0 HG3 LYS B 35 -7.391 -20.219 4.245 1.00 1.38 H new ATOM 0 HD2 LYS B 35 -9.942 -20.066 2.587 1.00 1.28 H new ATOM 0 HD3 LYS B 35 -8.570 -18.984 2.453 1.00 1.28 H new ATOM 0 HE2 LYS B 35 -8.492 -21.987 1.946 1.00 1.09 H new ATOM 0 HE3 LYS B 35 -8.565 -20.756 0.701 1.00 1.09 H new ATOM 0 HZ1 LYS B 35 -6.302 -21.691 1.258 1.00 0.77 H new ATOM 0 HZ2 LYS B 35 -6.422 -19.998 1.220 1.00 0.77 H new ATOM 0 HZ3 LYS B 35 -6.382 -20.813 2.709 1.00 0.77 H new TER 591 LYS B 35