USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 435 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 32 ASN : amide:sc= 0.808 K(o=1.7,f=-2.7) USER MOD Set 1.2: A 35 LYS NZ :NH3+ -165:sc= 0.93 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0439) USER MOD Single : A 13 LYS NZ :NH3+ 177:sc= 1.22 (180deg=1.15) USER MOD Single : A 18 ASN : amide:sc=-0.00766 X(o=-0.0077,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 171:sc= 1.24 (180deg=1.19) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0175 USER MOD Single : A 28 GLN : amide:sc= 0.728 K(o=0.73,f=-0.014) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc=0.000132 USER MOD Single : A 48 LYS NZ :NH3+ -143:sc= 0.887 (180deg=0.177) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 131:sc=-0.00466 (180deg=-0.292) USER MOD Single : A 57 SER OG : rot 180:sc= 0.245 USER MOD Single : A 58 SER OG : rot 180:sc= 0.157 USER MOD ----------------------------------------------------------------- ATOM 34 N LEU A 3 -10.126 11.952 -5.060 1.00 0.00 N ATOM 35 CA LEU A 3 -9.139 12.556 -5.953 1.00 0.00 C ATOM 36 C LEU A 3 -9.444 12.319 -7.446 1.00 0.00 C ATOM 37 O LEU A 3 -10.530 11.868 -7.825 1.00 0.00 O ATOM 38 CB LEU A 3 -7.758 12.024 -5.511 1.00 0.00 C ATOM 39 CG LEU A 3 -7.286 12.577 -4.154 1.00 0.00 C ATOM 40 CD1 LEU A 3 -5.917 12.000 -3.809 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.154 14.097 -4.199 1.00 0.00 C ATOM 0 HA LEU A 3 -9.164 13.642 -5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -7.799 10.936 -5.456 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -7.020 12.277 -6.273 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.026 12.295 -3.406 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.588 12.395 -2.848 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -5.984 10.914 -3.752 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -5.200 12.279 -4.581 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.819 14.462 -3.228 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.428 14.377 -4.962 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.121 14.539 -4.439 1.00 0.00 H new ATOM 52 N THR A 4 -8.500 12.721 -8.302 1.00 0.00 N ATOM 53 CA THR A 4 -8.562 12.598 -9.776 1.00 0.00 C ATOM 54 C THR A 4 -8.390 11.143 -10.258 1.00 0.00 C ATOM 55 O THR A 4 -8.518 10.194 -9.479 1.00 0.00 O ATOM 56 CB THR A 4 -7.541 13.526 -10.464 1.00 0.00 C ATOM 57 OG1 THR A 4 -6.226 13.097 -10.192 1.00 0.00 O ATOM 58 CG2 THR A 4 -7.674 14.989 -10.048 1.00 0.00 C ATOM 0 H THR A 4 -7.636 13.159 -7.983 1.00 0.00 H new ATOM 0 HA THR A 4 -9.563 12.915 -10.067 1.00 0.00 H new ATOM 0 HB THR A 4 -7.756 13.465 -11.531 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.589 13.694 -10.636 1.00 0.00 H new ATOM 0 HG21 THR A 4 -6.925 15.585 -10.570 1.00 0.00 H new ATOM 0 HG22 THR A 4 -8.670 15.351 -10.305 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.522 15.077 -8.972 1.00 0.00 H new ATOM 66 N GLN A 5 -8.083 10.946 -11.549 1.00 0.00 N ATOM 67 CA GLN A 5 -7.663 9.663 -12.131 1.00 0.00 C ATOM 68 C GLN A 5 -6.554 8.937 -11.338 1.00 0.00 C ATOM 69 O GLN A 5 -6.476 7.707 -11.388 1.00 0.00 O ATOM 70 CB GLN A 5 -7.248 9.882 -13.596 1.00 0.00 C ATOM 71 CG GLN A 5 -5.976 10.731 -13.787 1.00 0.00 C ATOM 72 CD GLN A 5 -5.643 10.931 -15.265 1.00 0.00 C ATOM 73 OE1 GLN A 5 -4.835 10.220 -15.853 1.00 0.00 O ATOM 74 NE2 GLN A 5 -6.246 11.897 -15.927 1.00 0.00 N ATOM 0 H GLN A 5 -8.121 11.698 -12.237 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.523 8.995 -12.078 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.093 8.910 -14.064 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.071 10.363 -14.124 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -6.112 11.702 -13.311 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -5.137 10.246 -13.288 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -6.921 12.497 -15.452 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -6.038 12.045 -16.915 1.00 0.00 H new ATOM 81 N GLY A 6 -5.734 9.669 -10.574 1.00 0.00 N ATOM 82 CA GLY A 6 -4.809 9.092 -9.604 1.00 0.00 C ATOM 83 C GLY A 6 -3.907 10.112 -8.913 1.00 0.00 C ATOM 84 O GLY A 6 -2.693 9.933 -8.930 1.00 0.00 O ATOM 0 H GLY A 6 -5.697 10.687 -10.616 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.382 8.558 -8.846 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.184 8.355 -10.109 1.00 0.00 H new ATOM 88 N GLU A 7 -4.451 11.166 -8.295 1.00 0.00 N ATOM 89 CA GLU A 7 -3.682 12.258 -7.685 1.00 0.00 C ATOM 90 C GLU A 7 -2.822 11.830 -6.490 1.00 0.00 C ATOM 91 O GLU A 7 -1.916 12.555 -6.089 1.00 0.00 O ATOM 92 CB GLU A 7 -4.618 13.420 -7.293 1.00 0.00 C ATOM 93 CG GLU A 7 -4.158 14.693 -8.004 1.00 0.00 C ATOM 94 CD GLU A 7 -4.883 15.989 -7.588 1.00 0.00 C ATOM 95 OE1 GLU A 7 -6.007 15.947 -7.033 1.00 0.00 O ATOM 96 OE2 GLU A 7 -4.324 17.086 -7.834 1.00 0.00 O ATOM 0 H GLU A 7 -5.460 11.287 -8.203 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.979 12.591 -8.448 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.646 13.185 -7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.604 13.566 -6.213 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.091 14.822 -7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -4.287 14.555 -9.077 1.00 0.00 H new ATOM 101 N LEU A 8 -3.056 10.630 -5.958 1.00 0.00 N ATOM 102 CA LEU A 8 -2.175 9.972 -4.990 1.00 0.00 C ATOM 103 C LEU A 8 -1.368 8.806 -5.600 1.00 0.00 C ATOM 104 O LEU A 8 -0.324 8.446 -5.066 1.00 0.00 O ATOM 105 CB LEU A 8 -3.013 9.588 -3.757 1.00 0.00 C ATOM 106 CG LEU A 8 -3.909 8.342 -3.936 1.00 0.00 C ATOM 107 CD1 LEU A 8 -3.242 7.154 -3.237 1.00 0.00 C ATOM 108 CD2 LEU A 8 -5.305 8.480 -3.328 1.00 0.00 C ATOM 0 H LEU A 8 -3.880 10.076 -6.192 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.397 10.666 -4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.339 9.414 -2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.644 10.435 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.023 8.208 -5.012 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.864 6.267 -3.355 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.263 6.973 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.124 7.376 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.868 7.562 -3.498 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.219 8.660 -2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.824 9.316 -3.796 1.00 0.00 H new ATOM 119 N MET A 9 -1.793 8.247 -6.741 1.00 0.00 N ATOM 120 CA MET A 9 -1.179 7.103 -7.424 1.00 0.00 C ATOM 121 C MET A 9 0.143 7.509 -8.075 1.00 0.00 C ATOM 122 O MET A 9 1.204 6.976 -7.749 1.00 0.00 O ATOM 123 CB MET A 9 -2.193 6.499 -8.433 1.00 0.00 C ATOM 124 CG MET A 9 -1.599 5.999 -9.756 1.00 0.00 C ATOM 125 SD MET A 9 -2.520 4.686 -10.607 1.00 0.00 S ATOM 126 CE MET A 9 -4.069 5.549 -10.975 1.00 0.00 C ATOM 0 H MET A 9 -2.613 8.598 -7.235 1.00 0.00 H new ATOM 0 HA MET A 9 -0.934 6.325 -6.701 1.00 0.00 H new ATOM 0 HB2 MET A 9 -2.707 5.668 -7.950 1.00 0.00 H new ATOM 0 HB3 MET A 9 -2.947 7.253 -8.657 1.00 0.00 H new ATOM 0 HG2 MET A 9 -1.510 6.848 -10.433 1.00 0.00 H new ATOM 0 HG3 MET A 9 -0.589 5.638 -9.563 1.00 0.00 H new ATOM 0 HE1 MET A 9 -4.746 4.874 -11.500 1.00 0.00 H new ATOM 0 HE2 MET A 9 -4.533 5.877 -10.045 1.00 0.00 H new ATOM 0 HE3 MET A 9 -3.862 6.416 -11.602 1.00 0.00 H new ATOM 134 N LYS A 10 0.095 8.467 -8.999 1.00 0.00 N ATOM 135 CA LYS A 10 1.237 8.887 -9.828 1.00 0.00 C ATOM 136 C LYS A 10 2.268 9.749 -9.064 1.00 0.00 C ATOM 137 O LYS A 10 3.098 10.420 -9.677 1.00 0.00 O ATOM 138 CB LYS A 10 0.673 9.513 -11.124 1.00 0.00 C ATOM 139 CG LYS A 10 -0.202 10.763 -10.914 1.00 0.00 C ATOM 140 CD LYS A 10 -1.391 10.847 -11.887 1.00 0.00 C ATOM 141 CE LYS A 10 -2.163 12.165 -11.743 1.00 0.00 C ATOM 142 NZ LYS A 10 -1.386 13.331 -12.244 1.00 0.00 N ATOM 0 H LYS A 10 -0.758 8.989 -9.201 1.00 0.00 H new ATOM 0 HA LYS A 10 1.841 8.023 -10.107 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.506 9.776 -11.775 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.085 8.760 -11.648 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -0.578 10.766 -9.891 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.416 11.654 -11.029 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -1.029 10.750 -12.910 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.066 10.010 -11.707 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.103 12.095 -12.291 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.416 12.323 -10.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.994 14.175 -12.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.570 13.498 -11.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.050 13.136 -13.209 1.00 0.00 H new ATOM 152 N LEU A 11 2.194 9.739 -7.725 1.00 0.00 N ATOM 153 CA LEU A 11 2.898 10.573 -6.749 1.00 0.00 C ATOM 154 C LEU A 11 3.610 9.721 -5.698 1.00 0.00 C ATOM 155 O LEU A 11 4.758 10.019 -5.365 1.00 0.00 O ATOM 156 CB LEU A 11 1.917 11.524 -6.024 1.00 0.00 C ATOM 157 CG LEU A 11 1.334 12.696 -6.829 1.00 0.00 C ATOM 158 CD1 LEU A 11 2.438 13.558 -7.436 1.00 0.00 C ATOM 159 CD2 LEU A 11 0.426 12.235 -7.960 1.00 0.00 C ATOM 0 H LEU A 11 1.576 9.078 -7.255 1.00 0.00 H new ATOM 0 HA LEU A 11 3.635 11.154 -7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.085 10.927 -5.650 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.430 11.936 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 11 0.749 13.276 -6.115 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.992 14.378 -7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.063 13.962 -6.640 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.049 12.950 -8.103 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.042 13.103 -8.495 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.992 11.606 -8.647 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.407 11.665 -7.549 1.00 0.00 H new ATOM 170 N ILE A 12 2.983 8.647 -5.196 1.00 0.00 N ATOM 171 CA ILE A 12 3.633 7.776 -4.201 1.00 0.00 C ATOM 172 C ILE A 12 4.917 7.133 -4.746 1.00 0.00 C ATOM 173 O ILE A 12 5.898 6.994 -4.019 1.00 0.00 O ATOM 174 CB ILE A 12 2.680 6.687 -3.676 1.00 0.00 C ATOM 175 CG1 ILE A 12 1.945 5.912 -4.790 1.00 0.00 C ATOM 176 CG2 ILE A 12 1.654 7.273 -2.700 1.00 0.00 C ATOM 177 CD1 ILE A 12 1.849 4.433 -4.417 1.00 0.00 C ATOM 0 H ILE A 12 2.039 8.362 -5.457 1.00 0.00 H new ATOM 0 HA ILE A 12 3.904 8.423 -3.367 1.00 0.00 H new ATOM 0 HB ILE A 12 3.320 5.973 -3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.947 6.325 -4.935 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.477 6.024 -5.735 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.995 6.481 -2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.173 7.720 -1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.064 8.036 -3.207 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.329 3.891 -5.207 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.851 4.023 -4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.298 4.328 -3.482 1.00 0.00 H new ATOM 188 N LYS A 13 4.956 6.818 -6.047 1.00 0.00 N ATOM 189 CA LYS A 13 6.159 6.284 -6.720 1.00 0.00 C ATOM 190 C LYS A 13 7.154 7.368 -7.141 1.00 0.00 C ATOM 191 O LYS A 13 8.325 7.100 -7.376 1.00 0.00 O ATOM 192 CB LYS A 13 5.732 5.369 -7.883 1.00 0.00 C ATOM 193 CG LYS A 13 4.881 6.021 -8.992 1.00 0.00 C ATOM 194 CD LYS A 13 5.708 6.687 -10.103 1.00 0.00 C ATOM 195 CE LYS A 13 4.778 7.297 -11.158 1.00 0.00 C ATOM 196 NZ LYS A 13 5.551 7.921 -12.260 1.00 0.00 N ATOM 0 H LYS A 13 4.155 6.925 -6.669 1.00 0.00 H new ATOM 0 HA LYS A 13 6.714 5.686 -5.997 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.631 4.956 -8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 13 5.171 4.531 -7.470 1.00 0.00 H new ATOM 0 HG2 LYS A 13 4.238 5.261 -9.437 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.227 6.768 -8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 13 6.346 7.462 -9.678 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.366 5.952 -10.568 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.125 6.523 -11.561 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.136 8.045 -10.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.896 8.280 -12.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.118 8.708 -11.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.182 7.213 -12.686 1.00 0.00 H new ATOM 206 N GLU A 14 6.708 8.614 -7.200 1.00 0.00 N ATOM 207 CA GLU A 14 7.416 9.767 -7.767 1.00 0.00 C ATOM 208 C GLU A 14 8.142 10.583 -6.686 1.00 0.00 C ATOM 209 O GLU A 14 9.018 11.390 -7.003 1.00 0.00 O ATOM 210 CB GLU A 14 6.402 10.624 -8.546 1.00 0.00 C ATOM 211 CG GLU A 14 7.012 11.593 -9.570 1.00 0.00 C ATOM 212 CD GLU A 14 7.799 10.868 -10.679 1.00 0.00 C ATOM 213 OE1 GLU A 14 7.231 9.966 -11.342 1.00 0.00 O ATOM 214 OE2 GLU A 14 8.986 11.206 -10.912 1.00 0.00 O ATOM 0 H GLU A 14 5.791 8.869 -6.834 1.00 0.00 H new ATOM 0 HA GLU A 14 8.193 9.416 -8.446 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.712 9.959 -9.066 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.813 11.199 -7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.217 12.185 -10.022 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.675 12.289 -9.056 1.00 0.00 H new ATOM 219 N ILE A 15 7.835 10.331 -5.406 1.00 0.00 N ATOM 220 CA ILE A 15 8.597 10.819 -4.263 1.00 0.00 C ATOM 221 C ILE A 15 9.421 9.666 -3.693 1.00 0.00 C ATOM 222 O ILE A 15 10.627 9.820 -3.537 1.00 0.00 O ATOM 223 CB ILE A 15 7.697 11.517 -3.220 1.00 0.00 C ATOM 224 CG1 ILE A 15 6.726 10.558 -2.494 1.00 0.00 C ATOM 225 CG2 ILE A 15 6.924 12.681 -3.867 1.00 0.00 C ATOM 226 CD1 ILE A 15 7.236 10.211 -1.091 1.00 0.00 C ATOM 0 H ILE A 15 7.028 9.767 -5.137 1.00 0.00 H new ATOM 0 HA ILE A 15 9.288 11.598 -4.586 1.00 0.00 H new ATOM 0 HB ILE A 15 8.368 11.905 -2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.741 11.019 -2.422 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.609 9.645 -3.077 1.00 0.00 H new ATOM 0 HG21 ILE A 15 6.295 13.161 -3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 15 7.630 13.408 -4.268 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.299 12.299 -4.674 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.532 9.535 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 15 8.210 9.728 -1.167 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.329 11.123 -0.502 1.00 0.00 H new ATOM 237 N VAL A 16 8.845 8.479 -3.448 1.00 0.00 N ATOM 238 CA VAL A 16 9.591 7.423 -2.757 1.00 0.00 C ATOM 239 C VAL A 16 10.751 6.903 -3.615 1.00 0.00 C ATOM 240 O VAL A 16 11.814 6.589 -3.077 1.00 0.00 O ATOM 241 CB VAL A 16 8.704 6.258 -2.283 1.00 0.00 C ATOM 242 CG1 VAL A 16 9.563 5.275 -1.481 1.00 0.00 C ATOM 243 CG2 VAL A 16 7.580 6.713 -1.346 1.00 0.00 C ATOM 0 H VAL A 16 7.891 8.232 -3.711 1.00 0.00 H new ATOM 0 HA VAL A 16 9.999 7.889 -1.860 1.00 0.00 H new ATOM 0 HB VAL A 16 8.268 5.812 -3.177 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.944 4.445 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 16 10.365 4.894 -2.113 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.992 5.786 -0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.987 5.850 -1.044 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.011 7.185 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.942 7.429 -1.864 1.00 0.00 H new ATOM 253 N GLU A 17 10.611 6.884 -4.948 1.00 0.00 N ATOM 254 CA GLU A 17 11.740 6.482 -5.814 1.00 0.00 C ATOM 255 C GLU A 17 12.784 7.600 -5.995 1.00 0.00 C ATOM 256 O GLU A 17 13.820 7.397 -6.634 1.00 0.00 O ATOM 257 CB GLU A 17 11.260 5.989 -7.193 1.00 0.00 C ATOM 258 CG GLU A 17 10.290 4.790 -7.168 1.00 0.00 C ATOM 259 CD GLU A 17 10.931 3.441 -6.808 1.00 0.00 C ATOM 260 OE1 GLU A 17 12.177 3.299 -6.819 1.00 0.00 O ATOM 261 OE2 GLU A 17 10.174 2.483 -6.518 1.00 0.00 O ATOM 0 H GLU A 17 9.755 7.134 -5.444 1.00 0.00 H new ATOM 0 HA GLU A 17 12.224 5.656 -5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.773 6.818 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.133 5.716 -7.786 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.496 5.000 -6.452 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.821 4.702 -8.148 1.00 0.00 H new ATOM 266 N ASN A 18 12.529 8.776 -5.419 1.00 0.00 N ATOM 267 CA ASN A 18 13.288 10.002 -5.589 1.00 0.00 C ATOM 268 C ASN A 18 13.940 10.515 -4.291 1.00 0.00 C ATOM 269 O ASN A 18 14.741 11.452 -4.352 1.00 0.00 O ATOM 270 CB ASN A 18 12.321 11.042 -6.184 1.00 0.00 C ATOM 271 CG ASN A 18 13.033 11.988 -7.120 1.00 0.00 C ATOM 272 OD1 ASN A 18 13.191 13.179 -6.875 1.00 0.00 O ATOM 273 ND2 ASN A 18 13.480 11.463 -8.236 1.00 0.00 N ATOM 0 H ASN A 18 11.739 8.898 -4.785 1.00 0.00 H new ATOM 0 HA ASN A 18 14.131 9.812 -6.253 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.521 10.531 -6.720 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.854 11.609 -5.378 1.00 0.00 H new ATOM 0 HD21 ASN A 18 13.967 12.047 -8.915 1.00 0.00 H new ATOM 0 HD22 ASN A 18 13.340 10.470 -8.424 1.00 0.00 H new ATOM 279 N GLU A 19 13.616 9.933 -3.126 1.00 0.00 N ATOM 280 CA GLU A 19 14.019 10.486 -1.822 1.00 0.00 C ATOM 281 C GLU A 19 15.203 9.726 -1.209 1.00 0.00 C ATOM 282 O GLU A 19 16.354 9.983 -1.569 1.00 0.00 O ATOM 283 CB GLU A 19 12.803 10.562 -0.883 1.00 0.00 C ATOM 284 CG GLU A 19 11.795 11.661 -1.255 1.00 0.00 C ATOM 285 CD GLU A 19 12.246 13.105 -0.939 1.00 0.00 C ATOM 286 OE1 GLU A 19 13.373 13.332 -0.432 1.00 0.00 O ATOM 287 OE2 GLU A 19 11.462 14.047 -1.215 1.00 0.00 O ATOM 0 H GLU A 19 13.072 9.073 -3.060 1.00 0.00 H new ATOM 0 HA GLU A 19 14.381 11.502 -1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.293 9.599 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.153 10.733 0.135 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.582 11.590 -2.322 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.860 11.467 -0.729 1.00 0.00 H new ATOM 292 N ASP A 20 14.943 8.788 -0.295 1.00 0.00 N ATOM 293 CA ASP A 20 15.961 8.025 0.423 1.00 0.00 C ATOM 294 C ASP A 20 15.558 6.551 0.504 1.00 0.00 C ATOM 295 O ASP A 20 15.020 6.080 1.505 1.00 0.00 O ATOM 296 CB ASP A 20 16.218 8.627 1.818 1.00 0.00 C ATOM 297 CG ASP A 20 16.931 9.985 1.763 1.00 0.00 C ATOM 298 OD1 ASP A 20 18.164 9.996 1.525 1.00 0.00 O ATOM 299 OD2 ASP A 20 16.284 11.031 2.008 1.00 0.00 O ATOM 0 H ASP A 20 13.992 8.533 -0.028 1.00 0.00 H new ATOM 0 HA ASP A 20 16.899 8.084 -0.129 1.00 0.00 H new ATOM 0 HB2 ASP A 20 15.267 8.743 2.338 1.00 0.00 H new ATOM 0 HB3 ASP A 20 16.819 7.931 2.403 1.00 0.00 H new ATOM 303 N LYS A 21 15.842 5.788 -0.553 1.00 0.00 N ATOM 304 CA LYS A 21 15.612 4.332 -0.608 1.00 0.00 C ATOM 305 C LYS A 21 16.429 3.536 0.430 1.00 0.00 C ATOM 306 O LYS A 21 16.061 2.412 0.767 1.00 0.00 O ATOM 307 CB LYS A 21 15.846 3.829 -2.042 1.00 0.00 C ATOM 308 CG LYS A 21 14.800 4.408 -3.014 1.00 0.00 C ATOM 309 CD LYS A 21 14.948 3.898 -4.453 1.00 0.00 C ATOM 310 CE LYS A 21 14.635 2.401 -4.575 1.00 0.00 C ATOM 311 NZ LYS A 21 14.507 2.002 -5.997 1.00 0.00 N ATOM 0 H LYS A 21 16.245 6.164 -1.411 1.00 0.00 H new ATOM 0 HA LYS A 21 14.573 4.154 -0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 21 16.846 4.111 -2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 21 15.800 2.740 -2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 21 13.803 4.160 -2.651 1.00 0.00 H new ATOM 0 HG3 LYS A 21 14.878 5.495 -3.013 1.00 0.00 H new ATOM 0 HD2 LYS A 21 14.281 4.461 -5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 21 15.965 4.084 -4.799 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.425 1.820 -4.100 1.00 0.00 H new ATOM 0 HE3 LYS A 21 13.710 2.174 -4.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.448 0.966 -6.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.646 2.424 -6.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 15.337 2.336 -6.527 1.00 0.00 H new ATOM 321 N ARG A 22 17.489 4.138 0.991 1.00 0.00 N ATOM 322 CA ARG A 22 18.262 3.664 2.163 1.00 0.00 C ATOM 323 C ARG A 22 17.613 3.962 3.529 1.00 0.00 C ATOM 324 O ARG A 22 18.033 3.389 4.538 1.00 0.00 O ATOM 325 CB ARG A 22 19.711 4.197 2.105 1.00 0.00 C ATOM 326 CG ARG A 22 19.883 5.725 2.215 1.00 0.00 C ATOM 327 CD ARG A 22 19.887 6.437 0.855 1.00 0.00 C ATOM 328 NE ARG A 22 20.012 7.896 1.019 1.00 0.00 N ATOM 329 CZ ARG A 22 21.100 8.642 1.006 1.00 0.00 C ATOM 330 NH1 ARG A 22 22.298 8.155 0.840 1.00 0.00 N ATOM 331 NH2 ARG A 22 20.972 9.924 1.171 1.00 0.00 N ATOM 0 H ARG A 22 17.854 5.017 0.624 1.00 0.00 H new ATOM 0 HA ARG A 22 18.268 2.576 2.090 1.00 0.00 H new ATOM 0 HB2 ARG A 22 20.279 3.730 2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 22 20.159 3.869 1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 22 19.077 6.131 2.827 1.00 0.00 H new ATOM 0 HG3 ARG A 22 20.817 5.942 2.733 1.00 0.00 H new ATOM 0 HD2 ARG A 22 20.713 6.064 0.249 1.00 0.00 H new ATOM 0 HD3 ARG A 22 18.967 6.206 0.318 1.00 0.00 H new ATOM 0 HE ARG A 22 19.136 8.399 1.162 1.00 0.00 H new ATOM 0 HH11 ARG A 22 22.427 7.151 0.712 1.00 0.00 H new ATOM 0 HH12 ARG A 22 23.106 8.778 0.838 1.00 0.00 H new ATOM 0 HH21 ARG A 22 20.047 10.331 1.306 1.00 0.00 H new ATOM 0 HH22 ARG A 22 21.797 10.524 1.165 1.00 0.00 H new ATOM 342 N LYS A 23 16.582 4.817 3.570 1.00 0.00 N ATOM 343 CA LYS A 23 15.762 5.180 4.748 1.00 0.00 C ATOM 344 C LYS A 23 14.296 5.418 4.308 1.00 0.00 C ATOM 345 O LYS A 23 13.831 6.565 4.321 1.00 0.00 O ATOM 346 CB LYS A 23 16.357 6.429 5.443 1.00 0.00 C ATOM 347 CG LYS A 23 17.754 6.215 6.053 1.00 0.00 C ATOM 348 CD LYS A 23 18.260 7.446 6.821 1.00 0.00 C ATOM 349 CE LYS A 23 18.544 8.629 5.884 1.00 0.00 C ATOM 350 NZ LYS A 23 19.086 9.795 6.628 1.00 0.00 N ATOM 0 H LYS A 23 16.274 5.308 2.731 1.00 0.00 H new ATOM 0 HA LYS A 23 15.771 4.363 5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.411 7.241 4.718 1.00 0.00 H new ATOM 0 HB3 LYS A 23 15.676 6.750 6.231 1.00 0.00 H new ATOM 0 HG2 LYS A 23 17.725 5.358 6.726 1.00 0.00 H new ATOM 0 HG3 LYS A 23 18.460 5.972 5.259 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.518 7.741 7.563 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.169 7.187 7.364 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.255 8.324 5.116 1.00 0.00 H new ATOM 0 HE3 LYS A 23 17.626 8.918 5.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.267 10.576 5.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 18.397 10.101 7.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 19.975 9.526 7.096 1.00 0.00 H new ATOM 360 N PRO A 24 13.573 4.372 3.857 1.00 0.00 N ATOM 361 CA PRO A 24 12.325 4.530 3.112 1.00 0.00 C ATOM 362 C PRO A 24 11.151 4.983 3.996 1.00 0.00 C ATOM 363 O PRO A 24 11.187 4.887 5.228 1.00 0.00 O ATOM 364 CB PRO A 24 12.062 3.153 2.497 1.00 0.00 C ATOM 365 CG PRO A 24 12.636 2.204 3.543 1.00 0.00 C ATOM 366 CD PRO A 24 13.869 2.957 4.032 1.00 0.00 C ATOM 0 HA PRO A 24 12.415 5.315 2.361 1.00 0.00 H new ATOM 0 HB2 PRO A 24 10.999 2.979 2.333 1.00 0.00 H new ATOM 0 HB3 PRO A 24 12.556 3.039 1.532 1.00 0.00 H new ATOM 0 HG2 PRO A 24 11.929 2.015 4.351 1.00 0.00 H new ATOM 0 HG3 PRO A 24 12.895 1.236 3.114 1.00 0.00 H new ATOM 0 HD2 PRO A 24 14.076 2.728 5.077 1.00 0.00 H new ATOM 0 HD3 PRO A 24 14.753 2.670 3.462 1.00 0.00 H new ATOM 371 N TYR A 25 10.073 5.435 3.348 1.00 0.00 N ATOM 372 CA TYR A 25 8.761 5.659 3.965 1.00 0.00 C ATOM 373 C TYR A 25 8.001 4.329 4.174 1.00 0.00 C ATOM 374 O TYR A 25 8.510 3.237 3.896 1.00 0.00 O ATOM 375 CB TYR A 25 7.940 6.645 3.109 1.00 0.00 C ATOM 376 CG TYR A 25 8.632 7.954 2.783 1.00 0.00 C ATOM 377 CD1 TYR A 25 9.482 8.053 1.665 1.00 0.00 C ATOM 378 CD2 TYR A 25 8.407 9.081 3.592 1.00 0.00 C ATOM 379 CE1 TYR A 25 10.107 9.273 1.349 1.00 0.00 C ATOM 380 CE2 TYR A 25 9.054 10.299 3.302 1.00 0.00 C ATOM 381 CZ TYR A 25 9.907 10.398 2.180 1.00 0.00 C ATOM 382 OH TYR A 25 10.530 11.575 1.903 1.00 0.00 O ATOM 0 H TYR A 25 10.089 5.661 2.354 1.00 0.00 H new ATOM 0 HA TYR A 25 8.913 6.098 4.951 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.672 6.152 2.174 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.009 6.866 3.631 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.656 7.186 1.045 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.738 9.014 4.437 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.737 9.349 0.475 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.898 11.158 3.938 1.00 0.00 H new ATOM 0 HH TYR A 25 10.280 12.243 2.575 1.00 0.00 H new ATOM 391 N SER A 26 6.759 4.426 4.643 1.00 0.00 N ATOM 392 CA SER A 26 5.780 3.336 4.767 1.00 0.00 C ATOM 393 C SER A 26 4.412 3.819 4.293 1.00 0.00 C ATOM 394 O SER A 26 4.226 5.019 4.083 1.00 0.00 O ATOM 395 CB SER A 26 5.697 2.862 6.223 1.00 0.00 C ATOM 396 OG SER A 26 5.229 3.890 7.081 1.00 0.00 O ATOM 0 H SER A 26 6.382 5.317 4.967 1.00 0.00 H new ATOM 0 HA SER A 26 6.098 2.498 4.147 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.031 2.001 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.681 2.530 6.555 1.00 0.00 H new ATOM 0 HG SER A 26 5.186 3.554 8.001 1.00 0.00 H new ATOM 401 N ASP A 27 3.432 2.929 4.153 1.00 0.00 N ATOM 402 CA ASP A 27 2.048 3.307 3.856 1.00 0.00 C ATOM 403 C ASP A 27 1.448 4.339 4.843 1.00 0.00 C ATOM 404 O ASP A 27 0.689 5.212 4.423 1.00 0.00 O ATOM 405 CB ASP A 27 1.168 2.060 3.674 1.00 0.00 C ATOM 406 CG ASP A 27 1.084 1.094 4.870 1.00 0.00 C ATOM 407 OD1 ASP A 27 1.517 1.425 5.998 1.00 0.00 O ATOM 408 OD2 ASP A 27 0.463 0.016 4.706 1.00 0.00 O ATOM 0 H ASP A 27 3.573 1.923 4.242 1.00 0.00 H new ATOM 0 HA ASP A 27 2.068 3.838 2.905 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.158 2.389 3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.539 1.504 2.813 1.00 0.00 H new ATOM 412 N GLN A 28 1.829 4.344 6.125 1.00 0.00 N ATOM 413 CA GLN A 28 1.483 5.420 7.050 1.00 0.00 C ATOM 414 C GLN A 28 2.201 6.721 6.662 1.00 0.00 C ATOM 415 O GLN A 28 1.568 7.767 6.515 1.00 0.00 O ATOM 416 CB GLN A 28 1.794 4.981 8.491 1.00 0.00 C ATOM 417 CG GLN A 28 1.665 6.110 9.526 1.00 0.00 C ATOM 418 CD GLN A 28 0.278 6.758 9.577 1.00 0.00 C ATOM 419 OE1 GLN A 28 -0.606 6.337 10.314 1.00 0.00 O ATOM 420 NE2 GLN A 28 0.030 7.805 8.816 1.00 0.00 N ATOM 0 H GLN A 28 2.386 3.601 6.547 1.00 0.00 H new ATOM 0 HA GLN A 28 0.414 5.626 6.990 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.121 4.169 8.767 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.807 4.581 8.528 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.905 5.713 10.512 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.405 6.879 9.303 1.00 0.00 H new ATOM 0 HE21 GLN A 28 0.754 8.168 8.197 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -0.886 8.252 8.846 1.00 0.00 H new ATOM 427 N GLU A 29 3.523 6.700 6.524 1.00 0.00 N ATOM 428 CA GLU A 29 4.298 7.906 6.279 1.00 0.00 C ATOM 429 C GLU A 29 3.932 8.584 4.955 1.00 0.00 C ATOM 430 O GLU A 29 3.641 9.780 4.968 1.00 0.00 O ATOM 431 CB GLU A 29 5.788 7.577 6.385 1.00 0.00 C ATOM 432 CG GLU A 29 6.256 7.223 7.806 1.00 0.00 C ATOM 433 CD GLU A 29 6.180 8.430 8.760 1.00 0.00 C ATOM 434 OE1 GLU A 29 7.128 9.253 8.780 1.00 0.00 O ATOM 435 OE2 GLU A 29 5.177 8.564 9.503 1.00 0.00 O ATOM 0 H GLU A 29 4.083 5.849 6.579 1.00 0.00 H new ATOM 0 HA GLU A 29 4.051 8.641 7.045 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.012 6.741 5.722 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.363 8.431 6.027 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.641 6.413 8.198 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.282 6.856 7.768 1.00 0.00 H new ATOM 440 N ILE A 30 3.847 7.851 3.837 1.00 0.00 N ATOM 441 CA ILE A 30 3.374 8.414 2.561 1.00 0.00 C ATOM 442 C ILE A 30 1.957 8.977 2.671 1.00 0.00 C ATOM 443 O ILE A 30 1.719 10.071 2.166 1.00 0.00 O ATOM 444 CB ILE A 30 3.558 7.464 1.357 1.00 0.00 C ATOM 445 CG1 ILE A 30 2.608 6.252 1.379 1.00 0.00 C ATOM 446 CG2 ILE A 30 5.035 7.058 1.245 1.00 0.00 C ATOM 447 CD1 ILE A 30 2.924 5.150 0.358 1.00 0.00 C ATOM 0 H ILE A 30 4.100 6.864 3.788 1.00 0.00 H new ATOM 0 HA ILE A 30 4.028 9.259 2.347 1.00 0.00 H new ATOM 0 HB ILE A 30 3.276 8.009 0.456 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.627 5.815 2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.592 6.605 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.165 6.388 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.647 7.948 1.101 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.343 6.549 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.197 4.344 0.456 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.874 5.563 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.925 4.760 0.541 1.00 0.00 H new ATOM 458 N ALA A 31 1.042 8.327 3.403 1.00 0.00 N ATOM 459 CA ALA A 31 -0.307 8.874 3.607 1.00 0.00 C ATOM 460 C ALA A 31 -0.276 10.215 4.366 1.00 0.00 C ATOM 461 O ALA A 31 -1.071 11.119 4.095 1.00 0.00 O ATOM 462 CB ALA A 31 -1.147 7.853 4.381 1.00 0.00 C ATOM 0 H ALA A 31 1.208 7.430 3.860 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.750 9.066 2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.150 8.250 4.537 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.209 6.926 3.811 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.681 7.655 5.346 1.00 0.00 H new ATOM 468 N ASN A 32 0.659 10.351 5.309 1.00 0.00 N ATOM 469 CA ASN A 32 0.808 11.523 6.156 1.00 0.00 C ATOM 470 C ASN A 32 1.295 12.756 5.385 1.00 0.00 C ATOM 471 O ASN A 32 0.660 13.805 5.451 1.00 0.00 O ATOM 472 CB ASN A 32 1.739 11.167 7.320 1.00 0.00 C ATOM 473 CG ASN A 32 1.812 12.280 8.349 1.00 0.00 C ATOM 474 OD1 ASN A 32 0.855 12.565 9.057 1.00 0.00 O ATOM 475 ND2 ASN A 32 2.936 12.949 8.465 1.00 0.00 N ATOM 0 H ASN A 32 1.349 9.626 5.505 1.00 0.00 H new ATOM 0 HA ASN A 32 -0.172 11.802 6.544 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.388 10.253 7.799 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.738 10.962 6.936 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.011 13.706 9.145 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.734 12.712 7.875 1.00 0.00 H new ATOM 481 N ILE A 33 2.393 12.653 4.633 1.00 0.00 N ATOM 482 CA ILE A 33 2.955 13.799 3.884 1.00 0.00 C ATOM 483 C ILE A 33 1.982 14.284 2.799 1.00 0.00 C ATOM 484 O ILE A 33 1.867 15.479 2.530 1.00 0.00 O ATOM 485 CB ILE A 33 4.305 13.438 3.232 1.00 0.00 C ATOM 486 CG1 ILE A 33 5.288 12.743 4.203 1.00 0.00 C ATOM 487 CG2 ILE A 33 4.997 14.663 2.621 1.00 0.00 C ATOM 488 CD1 ILE A 33 5.735 11.426 3.584 1.00 0.00 C ATOM 0 H ILE A 33 2.919 11.786 4.521 1.00 0.00 H new ATOM 0 HA ILE A 33 3.114 14.601 4.605 1.00 0.00 H new ATOM 0 HB ILE A 33 4.049 12.732 2.442 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.149 13.384 4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.807 12.565 5.165 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.944 14.361 2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.356 15.098 1.854 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.184 15.402 3.400 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.429 10.924 4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.866 10.789 3.418 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.230 11.621 2.633 1.00 0.00 H new ATOM 499 N LEU A 34 1.227 13.355 2.208 1.00 0.00 N ATOM 500 CA LEU A 34 0.187 13.620 1.209 1.00 0.00 C ATOM 501 C LEU A 34 -0.953 14.484 1.759 1.00 0.00 C ATOM 502 O LEU A 34 -1.590 15.230 1.009 1.00 0.00 O ATOM 503 CB LEU A 34 -0.322 12.268 0.673 1.00 0.00 C ATOM 504 CG LEU A 34 0.402 11.744 -0.587 1.00 0.00 C ATOM 505 CD1 LEU A 34 1.915 11.988 -0.590 1.00 0.00 C ATOM 506 CD2 LEU A 34 0.126 10.250 -0.774 1.00 0.00 C ATOM 0 H LEU A 34 1.326 12.362 2.419 1.00 0.00 H new ATOM 0 HA LEU A 34 0.617 14.202 0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.227 11.523 1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.385 12.361 0.449 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.005 12.319 -1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.346 11.590 -1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.111 13.059 -0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.366 11.489 0.268 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.642 9.893 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.485 9.702 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.946 10.089 -0.887 1.00 0.00 H new ATOM 517 N LYS A 35 -1.171 14.450 3.075 1.00 0.00 N ATOM 518 CA LYS A 35 -2.190 15.275 3.741 1.00 0.00 C ATOM 519 C LYS A 35 -1.731 16.722 3.951 1.00 0.00 C ATOM 520 O LYS A 35 -2.558 17.598 4.209 1.00 0.00 O ATOM 521 CB LYS A 35 -2.639 14.575 5.042 1.00 0.00 C ATOM 522 CG LYS A 35 -2.057 15.189 6.328 1.00 0.00 C ATOM 523 CD LYS A 35 -2.143 14.228 7.518 1.00 0.00 C ATOM 524 CE LYS A 35 -1.625 14.929 8.779 1.00 0.00 C ATOM 525 NZ LYS A 35 -1.498 13.986 9.916 1.00 0.00 N ATOM 0 H LYS A 35 -0.647 13.850 3.713 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.059 15.362 3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.727 14.605 5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.352 13.525 4.993 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.016 15.463 6.159 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.594 16.108 6.565 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.174 13.906 7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.555 13.332 7.319 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.656 15.382 8.572 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.303 15.738 9.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.395 14.522 10.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.348 13.390 9.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.661 13.384 9.776 1.00 0.00 H new ATOM 535 N GLU A 36 -0.427 16.983 3.829 1.00 0.00 N ATOM 536 CA GLU A 36 0.157 18.309 4.058 1.00 0.00 C ATOM 537 C GLU A 36 0.132 19.178 2.794 1.00 0.00 C ATOM 538 O GLU A 36 0.351 20.391 2.893 1.00 0.00 O ATOM 539 CB GLU A 36 1.602 18.193 4.585 1.00 0.00 C ATOM 540 CG GLU A 36 1.710 17.367 5.874 1.00 0.00 C ATOM 541 CD GLU A 36 3.103 17.517 6.511 1.00 0.00 C ATOM 542 OE1 GLU A 36 4.050 16.802 6.100 1.00 0.00 O ATOM 543 OE2 GLU A 36 3.267 18.357 7.434 1.00 0.00 O ATOM 0 H GLU A 36 0.259 16.275 3.567 1.00 0.00 H new ATOM 0 HA GLU A 36 -0.460 18.797 4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.227 17.739 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.997 19.192 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.946 17.689 6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.518 16.317 5.654 1.00 0.00 H new ATOM 548 N LYS A 37 -0.148 18.589 1.615 1.00 0.00 N ATOM 549 CA LYS A 37 -0.058 19.289 0.322 1.00 0.00 C ATOM 550 C LYS A 37 -1.317 19.222 -0.549 1.00 0.00 C ATOM 551 O LYS A 37 -1.526 20.149 -1.336 1.00 0.00 O ATOM 552 CB LYS A 37 1.222 18.855 -0.397 1.00 0.00 C ATOM 553 CG LYS A 37 1.259 17.348 -0.687 1.00 0.00 C ATOM 554 CD LYS A 37 2.624 16.936 -1.252 1.00 0.00 C ATOM 555 CE LYS A 37 3.622 16.829 -0.100 1.00 0.00 C ATOM 556 NZ LYS A 37 5.020 16.720 -0.590 1.00 0.00 N ATOM 0 H LYS A 37 -0.442 17.616 1.534 1.00 0.00 H new ATOM 0 HA LYS A 37 0.004 20.356 0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.310 19.403 -1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.085 19.125 0.212 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.056 16.792 0.228 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.473 17.090 -1.397 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.545 15.982 -1.772 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.967 17.669 -1.982 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.530 17.704 0.544 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.381 15.958 0.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.668 16.649 0.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.115 15.871 -1.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 5.258 17.563 -1.151 1.00 0.00 H new ATOM 566 N GLY A 38 -2.210 18.245 -0.348 1.00 0.00 N ATOM 567 CA GLY A 38 -3.628 18.432 -0.697 1.00 0.00 C ATOM 568 C GLY A 38 -4.437 17.157 -0.905 1.00 0.00 C ATOM 569 O GLY A 38 -5.614 17.238 -1.265 1.00 0.00 O ATOM 0 H GLY A 38 -1.984 17.332 0.047 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.102 19.015 0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.682 19.026 -1.609 1.00 0.00 H new ATOM 573 N PHE A 39 -3.830 15.984 -0.716 1.00 0.00 N ATOM 574 CA PHE A 39 -4.421 14.716 -1.138 1.00 0.00 C ATOM 575 C PHE A 39 -5.286 14.060 -0.061 1.00 0.00 C ATOM 576 O PHE A 39 -6.113 13.206 -0.388 1.00 0.00 O ATOM 577 CB PHE A 39 -3.313 13.763 -1.583 1.00 0.00 C ATOM 578 CG PHE A 39 -2.390 14.366 -2.613 1.00 0.00 C ATOM 579 CD1 PHE A 39 -2.877 14.619 -3.906 1.00 0.00 C ATOM 580 CD2 PHE A 39 -1.074 14.729 -2.271 1.00 0.00 C ATOM 581 CE1 PHE A 39 -2.053 15.234 -4.860 1.00 0.00 C ATOM 582 CE2 PHE A 39 -0.246 15.327 -3.235 1.00 0.00 C ATOM 583 CZ PHE A 39 -0.733 15.586 -4.528 1.00 0.00 C ATOM 0 H PHE A 39 -2.919 15.888 -0.268 1.00 0.00 H new ATOM 0 HA PHE A 39 -5.090 14.935 -1.970 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.729 13.463 -0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.763 12.859 -1.993 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.887 14.340 -4.166 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.703 14.549 -1.273 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.433 15.437 -5.850 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.771 15.589 -2.982 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.095 16.054 -5.264 1.00 0.00 H new ATOM 592 N LYS A 40 -5.081 14.462 1.206 1.00 0.00 N ATOM 593 CA LYS A 40 -5.674 13.989 2.476 1.00 0.00 C ATOM 594 C LYS A 40 -5.962 12.480 2.568 1.00 0.00 C ATOM 595 O LYS A 40 -6.829 12.062 3.334 1.00 0.00 O ATOM 596 CB LYS A 40 -6.863 14.897 2.856 1.00 0.00 C ATOM 597 CG LYS A 40 -7.972 15.014 1.792 1.00 0.00 C ATOM 598 CD LYS A 40 -9.392 14.761 2.320 1.00 0.00 C ATOM 599 CE LYS A 40 -9.534 13.267 2.635 1.00 0.00 C ATOM 600 NZ LYS A 40 -10.923 12.856 2.930 1.00 0.00 N ATOM 0 H LYS A 40 -4.418 15.215 1.389 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.904 14.089 3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.306 14.520 3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -6.482 15.895 3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.933 16.011 1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.765 14.305 0.990 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.575 15.356 3.215 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.132 15.064 1.579 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.164 12.689 1.788 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.902 13.022 3.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.948 11.836 3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.273 13.383 3.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.527 13.059 2.108 1.00 0.00 H new ATOM 610 N VAL A 41 -5.243 11.655 1.804 1.00 0.00 N ATOM 611 CA VAL A 41 -5.578 10.234 1.632 1.00 0.00 C ATOM 612 C VAL A 41 -5.036 9.435 2.829 1.00 0.00 C ATOM 613 O VAL A 41 -3.921 9.666 3.303 1.00 0.00 O ATOM 614 CB VAL A 41 -5.153 9.659 0.267 1.00 0.00 C ATOM 615 CG1 VAL A 41 -3.688 10.002 -0.044 1.00 0.00 C ATOM 616 CG2 VAL A 41 -5.278 8.133 0.226 1.00 0.00 C ATOM 0 H VAL A 41 -4.414 11.949 1.287 1.00 0.00 H new ATOM 0 HA VAL A 41 -6.664 10.140 1.620 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.821 10.107 -0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.414 9.584 -1.013 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.565 11.085 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.044 9.581 0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.969 7.769 -0.754 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.640 7.695 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.314 7.848 0.408 1.00 0.00 H new ATOM 626 N ALA A 42 -5.830 8.499 3.331 1.00 0.00 N ATOM 627 CA ALA A 42 -5.547 7.617 4.444 1.00 0.00 C ATOM 628 C ALA A 42 -4.590 6.478 4.051 1.00 0.00 C ATOM 629 O ALA A 42 -4.514 6.053 2.891 1.00 0.00 O ATOM 630 CB ALA A 42 -6.883 7.051 4.949 1.00 0.00 C ATOM 0 H ALA A 42 -6.756 8.328 2.939 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.046 8.182 5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.700 6.381 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.527 7.870 5.271 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.372 6.500 4.146 1.00 0.00 H new ATOM 636 N ARG A 43 -3.933 5.895 5.056 1.00 0.00 N ATOM 637 CA ARG A 43 -3.044 4.730 4.916 1.00 0.00 C ATOM 638 C ARG A 43 -3.722 3.530 4.257 1.00 0.00 C ATOM 639 O ARG A 43 -3.071 2.767 3.552 1.00 0.00 O ATOM 640 CB ARG A 43 -2.431 4.403 6.291 1.00 0.00 C ATOM 641 CG ARG A 43 -1.610 3.100 6.333 1.00 0.00 C ATOM 642 CD ARG A 43 -2.446 1.871 6.736 1.00 0.00 C ATOM 643 NE ARG A 43 -1.871 0.629 6.199 1.00 0.00 N ATOM 644 CZ ARG A 43 -2.445 -0.546 6.052 1.00 0.00 C ATOM 645 NH1 ARG A 43 -3.606 -0.825 6.571 1.00 0.00 N ATOM 646 NH2 ARG A 43 -1.839 -1.461 5.363 1.00 0.00 N ATOM 0 H ARG A 43 -4.004 6.226 6.018 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.239 4.986 4.227 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.790 5.231 6.595 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.234 4.335 7.025 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.167 2.925 5.352 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -0.787 3.219 7.038 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.501 1.808 7.823 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.466 1.988 6.371 1.00 0.00 H new ATOM 0 HE ARG A 43 -0.897 0.686 5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.104 -0.120 7.115 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.017 -1.748 6.434 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.930 -1.265 4.944 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.271 -2.377 5.240 1.00 0.00 H new ATOM 657 N ARG A 44 -5.031 3.371 4.447 1.00 0.00 N ATOM 658 CA ARG A 44 -5.816 2.216 3.994 1.00 0.00 C ATOM 659 C ARG A 44 -5.884 2.145 2.472 1.00 0.00 C ATOM 660 O ARG A 44 -5.891 1.060 1.891 1.00 0.00 O ATOM 661 CB ARG A 44 -7.225 2.324 4.601 1.00 0.00 C ATOM 662 CG ARG A 44 -7.311 1.722 6.018 1.00 0.00 C ATOM 663 CD ARG A 44 -6.635 2.551 7.119 1.00 0.00 C ATOM 664 NE ARG A 44 -6.725 1.870 8.428 1.00 0.00 N ATOM 665 CZ ARG A 44 -7.430 2.210 9.493 1.00 0.00 C ATOM 666 NH1 ARG A 44 -8.184 3.266 9.558 1.00 0.00 N ATOM 667 NH2 ARG A 44 -7.403 1.467 10.560 1.00 0.00 N ATOM 0 H ARG A 44 -5.596 4.064 4.937 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.333 1.298 4.328 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -7.521 3.372 4.638 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -7.936 1.815 3.951 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -8.362 1.590 6.277 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -6.860 0.730 6.003 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.589 2.717 6.863 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.107 3.531 7.182 1.00 0.00 H new ATOM 0 HE ARG A 44 -6.167 1.022 8.522 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -8.257 3.890 8.755 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.703 3.471 10.412 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.837 0.619 10.577 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.948 1.732 11.380 1.00 0.00 H new ATOM 678 N THR A 45 -5.919 3.313 1.840 1.00 0.00 N ATOM 679 CA THR A 45 -6.018 3.579 0.420 1.00 0.00 C ATOM 680 C THR A 45 -4.648 3.507 -0.213 1.00 0.00 C ATOM 681 O THR A 45 -4.434 2.790 -1.190 1.00 0.00 O ATOM 682 CB THR A 45 -6.550 5.011 0.260 1.00 0.00 C ATOM 683 OG1 THR A 45 -7.588 5.311 1.179 1.00 0.00 O ATOM 684 CG2 THR A 45 -7.018 5.277 -1.159 1.00 0.00 C ATOM 0 H THR A 45 -5.874 4.183 2.370 1.00 0.00 H new ATOM 0 HA THR A 45 -6.673 2.849 -0.056 1.00 0.00 H new ATOM 0 HB THR A 45 -5.711 5.671 0.481 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.892 6.232 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.388 6.300 -1.235 1.00 0.00 H new ATOM 0 HG22 THR A 45 -6.185 5.140 -1.849 1.00 0.00 H new ATOM 0 HG23 THR A 45 -7.818 4.582 -1.415 1.00 0.00 H new ATOM 692 N VAL A 46 -3.708 4.248 0.376 1.00 0.00 N ATOM 693 CA VAL A 46 -2.370 4.414 -0.152 1.00 0.00 C ATOM 694 C VAL A 46 -1.617 3.075 -0.170 1.00 0.00 C ATOM 695 O VAL A 46 -0.810 2.808 -1.064 1.00 0.00 O ATOM 696 CB VAL A 46 -1.636 5.516 0.637 1.00 0.00 C ATOM 697 CG1 VAL A 46 -0.748 4.985 1.754 1.00 0.00 C ATOM 698 CG2 VAL A 46 -0.752 6.350 -0.285 1.00 0.00 C ATOM 0 H VAL A 46 -3.866 4.754 1.247 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.421 4.740 -1.191 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.431 6.115 1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.266 5.819 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.355 4.427 2.467 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.013 4.328 1.333 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.245 7.121 0.296 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.011 5.706 -0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.368 6.820 -1.052 1.00 0.00 H new ATOM 708 N ALA A 47 -1.943 2.199 0.792 1.00 0.00 N ATOM 709 CA ALA A 47 -1.377 0.872 0.962 1.00 0.00 C ATOM 710 C ALA A 47 -1.783 -0.067 -0.172 1.00 0.00 C ATOM 711 O ALA A 47 -0.997 -0.920 -0.590 1.00 0.00 O ATOM 712 CB ALA A 47 -1.863 0.290 2.291 1.00 0.00 C ATOM 0 H ALA A 47 -2.643 2.417 1.501 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.291 0.963 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.443 -0.707 2.427 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.542 0.934 3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.951 0.227 2.284 1.00 0.00 H new ATOM 718 N LYS A 48 -3.011 0.107 -0.674 1.00 0.00 N ATOM 719 CA LYS A 48 -3.557 -0.646 -1.803 1.00 0.00 C ATOM 720 C LYS A 48 -3.157 -0.058 -3.167 1.00 0.00 C ATOM 721 O LYS A 48 -3.347 -0.717 -4.190 1.00 0.00 O ATOM 722 CB LYS A 48 -5.080 -0.776 -1.601 1.00 0.00 C ATOM 723 CG LYS A 48 -5.390 -1.844 -0.528 1.00 0.00 C ATOM 724 CD LYS A 48 -6.866 -2.283 -0.475 1.00 0.00 C ATOM 725 CE LYS A 48 -7.817 -1.294 0.215 1.00 0.00 C ATOM 726 NZ LYS A 48 -7.626 -1.255 1.686 1.00 0.00 N ATOM 0 H LYS A 48 -3.666 0.792 -0.296 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.121 -1.645 -1.823 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.497 0.185 -1.299 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.557 -1.048 -2.543 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.769 -2.720 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.104 -1.454 0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.216 -2.449 -1.494 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.925 -3.241 0.042 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.659 -0.297 -0.195 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.848 -1.571 -0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.548 -1.138 2.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.188 -2.143 2.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.008 -0.456 1.935 1.00 0.00 H new ATOM 736 N TYR A 49 -2.551 1.137 -3.199 1.00 0.00 N ATOM 737 CA TYR A 49 -2.040 1.787 -4.415 1.00 0.00 C ATOM 738 C TYR A 49 -0.590 1.415 -4.704 1.00 0.00 C ATOM 739 O TYR A 49 -0.295 0.932 -5.798 1.00 0.00 O ATOM 740 CB TYR A 49 -2.214 3.311 -4.342 1.00 0.00 C ATOM 741 CG TYR A 49 -3.574 3.797 -4.814 1.00 0.00 C ATOM 742 CD1 TYR A 49 -4.744 3.043 -4.589 1.00 0.00 C ATOM 743 CD2 TYR A 49 -3.648 4.990 -5.553 1.00 0.00 C ATOM 744 CE1 TYR A 49 -5.977 3.474 -5.117 1.00 0.00 C ATOM 745 CE2 TYR A 49 -4.878 5.439 -6.068 1.00 0.00 C ATOM 746 CZ TYR A 49 -6.044 4.672 -5.861 1.00 0.00 C ATOM 747 OH TYR A 49 -7.226 5.086 -6.381 1.00 0.00 O ATOM 0 H TYR A 49 -2.398 1.693 -2.358 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.636 1.414 -5.248 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -2.060 3.636 -3.313 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.440 3.785 -4.945 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.695 2.132 -4.010 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.752 5.568 -5.727 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.870 2.889 -4.953 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.929 6.366 -6.619 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.094 5.929 -6.863 1.00 0.00 H new ATOM 756 N ARG A 50 0.313 1.551 -3.722 1.00 0.00 N ATOM 757 CA ARG A 50 1.714 1.102 -3.851 1.00 0.00 C ATOM 758 C ARG A 50 1.854 -0.369 -4.266 1.00 0.00 C ATOM 759 O ARG A 50 2.870 -0.747 -4.844 1.00 0.00 O ATOM 760 CB ARG A 50 2.500 1.422 -2.564 1.00 0.00 C ATOM 761 CG ARG A 50 1.919 0.788 -1.287 1.00 0.00 C ATOM 762 CD ARG A 50 2.915 -0.110 -0.545 1.00 0.00 C ATOM 763 NE ARG A 50 3.231 -1.353 -1.275 1.00 0.00 N ATOM 764 CZ ARG A 50 2.556 -2.486 -1.222 1.00 0.00 C ATOM 765 NH1 ARG A 50 1.348 -2.586 -0.756 1.00 0.00 N ATOM 766 NH2 ARG A 50 3.078 -3.598 -1.629 1.00 0.00 N ATOM 0 H ARG A 50 0.098 1.973 -2.819 1.00 0.00 H new ATOM 0 HA ARG A 50 2.153 1.666 -4.674 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.528 1.083 -2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 50 2.535 2.504 -2.434 1.00 0.00 H new ATOM 0 HG2 ARG A 50 1.586 1.580 -0.616 1.00 0.00 H new ATOM 0 HG3 ARG A 50 1.039 0.202 -1.550 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.836 0.446 -0.371 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.507 -0.364 0.433 1.00 0.00 H new ATOM 0 HE ARG A 50 4.052 -1.335 -1.880 1.00 0.00 H new ATOM 0 HH11 ARG A 50 0.867 -1.758 -0.404 1.00 0.00 H new ATOM 0 HH12 ARG A 50 0.880 -3.492 -0.742 1.00 0.00 H new ATOM 0 HH21 ARG A 50 4.028 -3.610 -1.999 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.539 -4.463 -1.579 1.00 0.00 H new ATOM 777 N GLU A 51 0.801 -1.164 -4.060 1.00 0.00 N ATOM 778 CA GLU A 51 0.677 -2.555 -4.507 1.00 0.00 C ATOM 779 C GLU A 51 0.646 -2.698 -6.044 1.00 0.00 C ATOM 780 O GLU A 51 1.276 -3.603 -6.598 1.00 0.00 O ATOM 781 CB GLU A 51 -0.604 -3.146 -3.894 1.00 0.00 C ATOM 782 CG GLU A 51 -0.683 -4.672 -4.022 1.00 0.00 C ATOM 783 CD GLU A 51 -2.079 -5.195 -3.636 1.00 0.00 C ATOM 784 OE1 GLU A 51 -2.539 -4.945 -2.497 1.00 0.00 O ATOM 785 OE2 GLU A 51 -2.722 -5.871 -4.476 1.00 0.00 O ATOM 0 H GLU A 51 -0.025 -0.842 -3.555 1.00 0.00 H new ATOM 0 HA GLU A 51 1.561 -3.098 -4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.655 -2.873 -2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.472 -2.701 -4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.453 -4.965 -5.046 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.070 -5.132 -3.382 1.00 0.00 H new ATOM 790 N MET A 52 -0.093 -1.822 -6.738 1.00 0.00 N ATOM 791 CA MET A 52 -0.378 -1.933 -8.179 1.00 0.00 C ATOM 792 C MET A 52 0.588 -1.142 -9.078 1.00 0.00 C ATOM 793 O MET A 52 0.787 -1.511 -10.239 1.00 0.00 O ATOM 794 CB MET A 52 -1.842 -1.551 -8.475 1.00 0.00 C ATOM 795 CG MET A 52 -2.183 -0.082 -8.201 1.00 0.00 C ATOM 796 SD MET A 52 -3.816 0.429 -8.803 1.00 0.00 S ATOM 797 CE MET A 52 -3.837 2.134 -8.180 1.00 0.00 C ATOM 0 H MET A 52 -0.518 -1.001 -6.308 1.00 0.00 H new ATOM 0 HA MET A 52 -0.217 -2.981 -8.432 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.058 -1.772 -9.520 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.497 -2.181 -7.874 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.132 0.097 -7.127 1.00 0.00 H new ATOM 0 HG3 MET A 52 -1.424 0.548 -8.665 1.00 0.00 H new ATOM 0 HE1 MET A 52 -4.134 2.811 -8.981 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.548 2.212 -7.357 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.842 2.405 -7.827 1.00 0.00 H new ATOM 805 N LEU A 53 1.195 -0.067 -8.562 1.00 0.00 N ATOM 806 CA LEU A 53 2.126 0.793 -9.300 1.00 0.00 C ATOM 807 C LEU A 53 3.489 0.123 -9.511 1.00 0.00 C ATOM 808 O LEU A 53 3.897 -0.100 -10.655 1.00 0.00 O ATOM 809 CB LEU A 53 2.224 2.143 -8.574 1.00 0.00 C ATOM 810 CG LEU A 53 1.024 3.025 -8.966 1.00 0.00 C ATOM 811 CD1 LEU A 53 0.414 3.701 -7.743 1.00 0.00 C ATOM 812 CD2 LEU A 53 1.516 4.049 -9.984 1.00 0.00 C ATOM 0 H LEU A 53 1.049 0.235 -7.599 1.00 0.00 H new ATOM 0 HA LEU A 53 1.744 0.966 -10.306 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.238 1.988 -7.495 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.157 2.642 -8.836 1.00 0.00 H new ATOM 0 HG LEU A 53 0.234 2.415 -9.404 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.431 4.317 -8.051 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.072 2.941 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.164 4.329 -7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.688 4.691 -10.283 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.303 4.656 -9.538 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.909 3.532 -10.859 1.00 0.00 H new ATOM 823 N GLY A 54 4.176 -0.234 -8.423 1.00 0.00 N ATOM 824 CA GLY A 54 5.350 -1.113 -8.504 1.00 0.00 C ATOM 825 C GLY A 54 6.175 -1.337 -7.231 1.00 0.00 C ATOM 826 O GLY A 54 7.078 -2.177 -7.247 1.00 0.00 O ATOM 0 H GLY A 54 3.942 0.070 -7.478 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.013 -2.087 -8.858 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.016 -0.709 -9.266 1.00 0.00 H new ATOM 830 N ILE A 55 5.914 -0.606 -6.141 1.00 0.00 N ATOM 831 CA ILE A 55 6.694 -0.702 -4.897 1.00 0.00 C ATOM 832 C ILE A 55 6.443 -2.053 -4.198 1.00 0.00 C ATOM 833 O ILE A 55 5.298 -2.355 -3.843 1.00 0.00 O ATOM 834 CB ILE A 55 6.400 0.496 -3.974 1.00 0.00 C ATOM 835 CG1 ILE A 55 7.035 1.769 -4.580 1.00 0.00 C ATOM 836 CG2 ILE A 55 6.951 0.286 -2.551 1.00 0.00 C ATOM 837 CD1 ILE A 55 6.293 3.040 -4.160 1.00 0.00 C ATOM 0 H ILE A 55 5.153 0.072 -6.095 1.00 0.00 H new ATOM 0 HA ILE A 55 7.755 -0.662 -5.146 1.00 0.00 H new ATOM 0 HB ILE A 55 5.317 0.598 -3.898 1.00 0.00 H new ATOM 0 HG12 ILE A 55 8.077 1.838 -4.267 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.034 1.692 -5.667 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.719 1.157 -1.939 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.493 -0.600 -2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.032 0.152 -2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.775 3.908 -4.610 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.258 2.985 -4.496 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.317 3.133 -3.074 1.00 0.00 H new ATOM 848 N PRO A 56 7.491 -2.870 -3.959 1.00 0.00 N ATOM 849 CA PRO A 56 7.363 -4.152 -3.268 1.00 0.00 C ATOM 850 C PRO A 56 6.991 -3.902 -1.798 1.00 0.00 C ATOM 851 O PRO A 56 5.871 -4.197 -1.377 1.00 0.00 O ATOM 852 CB PRO A 56 8.702 -4.863 -3.484 1.00 0.00 C ATOM 853 CG PRO A 56 9.716 -3.737 -3.704 1.00 0.00 C ATOM 854 CD PRO A 56 8.888 -2.567 -4.243 1.00 0.00 C ATOM 0 HA PRO A 56 6.565 -4.790 -3.648 1.00 0.00 H new ATOM 0 HB2 PRO A 56 8.969 -5.472 -2.621 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.660 -5.531 -4.345 1.00 0.00 H new ATOM 0 HG2 PRO A 56 10.220 -3.471 -2.775 1.00 0.00 H new ATOM 0 HG3 PRO A 56 10.490 -4.034 -4.412 1.00 0.00 H new ATOM 0 HD2 PRO A 56 9.185 -1.632 -3.767 1.00 0.00 H new ATOM 0 HD3 PRO A 56 9.046 -2.443 -5.314 1.00 0.00 H new ATOM 859 N SER A 57 7.893 -3.261 -1.053 1.00 0.00 N ATOM 860 CA SER A 57 7.600 -2.536 0.196 1.00 0.00 C ATOM 861 C SER A 57 8.547 -1.358 0.485 1.00 0.00 C ATOM 862 O SER A 57 8.344 -0.590 1.426 1.00 0.00 O ATOM 863 CB SER A 57 7.637 -3.507 1.379 1.00 0.00 C ATOM 864 OG SER A 57 8.966 -3.909 1.677 1.00 0.00 O ATOM 0 H SER A 57 8.881 -3.228 -1.306 1.00 0.00 H new ATOM 0 HA SER A 57 6.606 -2.108 0.062 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.193 -3.033 2.255 1.00 0.00 H new ATOM 0 HB3 SER A 57 7.032 -4.385 1.151 1.00 0.00 H new ATOM 0 HG SER A 57 8.958 -4.527 2.437 1.00 0.00 H new ATOM 869 N SER A 58 9.633 -1.249 -0.288 1.00 0.00 N ATOM 870 CA SER A 58 10.852 -0.457 -0.047 1.00 0.00 C ATOM 871 C SER A 58 11.609 -0.745 1.261 1.00 0.00 C ATOM 872 O SER A 58 12.809 -0.480 1.317 1.00 0.00 O ATOM 873 CB SER A 58 10.605 1.046 -0.228 1.00 0.00 C ATOM 874 OG SER A 58 10.278 1.332 -1.578 1.00 0.00 O ATOM 0 H SER A 58 9.690 -1.753 -1.173 1.00 0.00 H new ATOM 0 HA SER A 58 11.531 -0.806 -0.825 1.00 0.00 H new ATOM 0 HB2 SER A 58 9.795 1.370 0.426 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.494 1.605 0.064 1.00 0.00 H new ATOM 0 HG SER A 58 10.121 2.294 -1.680 1.00 0.00 H new ATOM 879 N ARG A 59 11.000 -1.390 2.268 1.00 0.00 N ATOM 880 CA ARG A 59 11.696 -1.960 3.429 1.00 0.00 C ATOM 881 C ARG A 59 12.558 -3.122 2.960 1.00 0.00 C ATOM 882 O ARG A 59 13.711 -3.236 3.363 1.00 0.00 O ATOM 883 CB ARG A 59 10.660 -2.393 4.487 1.00 0.00 C ATOM 884 CG ARG A 59 11.268 -3.192 5.655 1.00 0.00 C ATOM 885 CD ARG A 59 10.186 -3.645 6.640 1.00 0.00 C ATOM 886 NE ARG A 59 10.703 -4.677 7.559 1.00 0.00 N ATOM 887 CZ ARG A 59 10.043 -5.708 8.056 1.00 0.00 C ATOM 888 NH1 ARG A 59 8.772 -5.892 7.856 1.00 0.00 N ATOM 889 NH2 ARG A 59 10.651 -6.600 8.780 1.00 0.00 N ATOM 0 H ARG A 59 9.990 -1.532 2.297 1.00 0.00 H new ATOM 0 HA ARG A 59 12.348 -1.220 3.894 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.165 -1.506 4.883 1.00 0.00 H new ATOM 0 HB3 ARG A 59 9.892 -2.998 4.005 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.797 -4.062 5.267 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.003 -2.578 6.175 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.830 -2.789 7.213 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.331 -4.039 6.090 1.00 0.00 H new ATOM 0 HE ARG A 59 11.679 -4.584 7.842 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.242 -5.225 7.295 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.304 -6.703 8.260 1.00 0.00 H new ATOM 0 HH21 ARG A 59 11.649 -6.509 8.970 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.130 -7.391 9.158 1.00 0.00 H new ATOM 900 N GLU A 60 12.013 -3.951 2.068 1.00 0.00 N ATOM 901 CA GLU A 60 12.671 -5.159 1.569 1.00 0.00 C ATOM 902 C GLU A 60 13.830 -4.869 0.599 1.00 0.00 C ATOM 903 O GLU A 60 14.754 -5.678 0.469 1.00 0.00 O ATOM 904 CB GLU A 60 11.629 -6.132 0.987 1.00 0.00 C ATOM 905 CG GLU A 60 10.996 -5.718 -0.354 1.00 0.00 C ATOM 906 CD GLU A 60 11.747 -6.306 -1.566 1.00 0.00 C ATOM 907 OE1 GLU A 60 11.683 -7.542 -1.784 1.00 0.00 O ATOM 908 OE2 GLU A 60 12.378 -5.538 -2.327 1.00 0.00 O ATOM 0 H GLU A 60 11.088 -3.799 1.666 1.00 0.00 H new ATOM 0 HA GLU A 60 13.147 -5.646 2.420 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.102 -7.105 0.858 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.831 -6.260 1.719 1.00 0.00 H new ATOM 0 HG2 GLU A 60 9.957 -6.047 -0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.987 -4.631 -0.428 1.00 0.00 H new ATOM 913 N ARG A 61 13.820 -3.680 -0.022 1.00 0.00 N ATOM 914 CA ARG A 61 14.942 -3.093 -0.763 1.00 0.00 C ATOM 915 C ARG A 61 16.064 -2.641 0.175 1.00 0.00 C ATOM 916 O ARG A 61 17.241 -2.891 -0.101 1.00 0.00 O ATOM 917 CB ARG A 61 14.456 -1.880 -1.572 1.00 0.00 C ATOM 918 CG ARG A 61 13.413 -2.214 -2.646 1.00 0.00 C ATOM 919 CD ARG A 61 13.022 -0.903 -3.334 1.00 0.00 C ATOM 920 NE ARG A 61 12.160 -1.097 -4.514 1.00 0.00 N ATOM 921 CZ ARG A 61 11.397 -0.163 -5.053 1.00 0.00 C ATOM 922 NH1 ARG A 61 11.033 0.909 -4.418 1.00 0.00 N ATOM 923 NH2 ARG A 61 10.984 -0.248 -6.280 1.00 0.00 N ATOM 0 H ARG A 61 12.996 -3.079 -0.020 1.00 0.00 H new ATOM 0 HA ARG A 61 15.333 -3.863 -1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 61 14.032 -1.147 -0.886 1.00 0.00 H new ATOM 0 HB3 ARG A 61 15.315 -1.409 -2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 61 13.821 -2.920 -3.370 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.539 -2.687 -2.198 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.506 -0.265 -2.617 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.927 -0.376 -3.637 1.00 0.00 H new ATOM 0 HE ARG A 61 12.152 -2.021 -4.946 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.338 1.060 -3.456 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.442 1.600 -4.881 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.248 -1.050 -6.852 1.00 0.00 H new ATOM 0 HH22 ARG A 61 10.396 0.487 -6.672 1.00 0.00 H new ATOM 934 N ARG A 62 15.701 -1.937 1.257 1.00 0.00 N ATOM 935 CA ARG A 62 16.593 -1.244 2.182 1.00 0.00 C ATOM 936 C ARG A 62 17.331 -2.188 3.139 1.00 0.00 C ATOM 937 O ARG A 62 18.563 -2.163 3.198 1.00 0.00 O ATOM 938 CB ARG A 62 15.693 -0.249 2.923 1.00 0.00 C ATOM 939 CG ARG A 62 16.442 0.585 3.958 1.00 0.00 C ATOM 940 CD ARG A 62 15.756 0.458 5.311 1.00 0.00 C ATOM 941 NE ARG A 62 16.425 1.305 6.315 1.00 0.00 N ATOM 942 CZ ARG A 62 16.060 1.501 7.567 1.00 0.00 C ATOM 943 NH1 ARG A 62 15.029 0.903 8.093 1.00 0.00 N ATOM 944 NH2 ARG A 62 16.729 2.322 8.323 1.00 0.00 N ATOM 0 H ARG A 62 14.721 -1.834 1.520 1.00 0.00 H new ATOM 0 HA ARG A 62 17.402 -0.746 1.647 1.00 0.00 H new ATOM 0 HB2 ARG A 62 15.226 0.418 2.198 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.890 -0.795 3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 62 17.476 0.249 4.031 1.00 0.00 H new ATOM 0 HG3 ARG A 62 16.467 1.630 3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.709 0.748 5.222 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.772 -0.582 5.636 1.00 0.00 H new ATOM 0 HE ARG A 62 17.265 1.795 6.007 1.00 0.00 H new ATOM 0 HH11 ARG A 62 14.473 0.257 7.532 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.778 1.080 9.066 1.00 0.00 H new ATOM 0 HH21 ARG A 62 17.538 2.816 7.948 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.444 2.471 9.291 1.00 0.00 H new ATOM 955 N ILE A 63 16.567 -2.946 3.934 1.00 0.00 N ATOM 956 CA ILE A 63 17.000 -3.740 5.105 1.00 0.00 C ATOM 957 C ILE A 63 18.148 -4.728 4.819 1.00 0.00 C ATOM 958 O ILE A 63 19.060 -4.828 5.673 1.00 0.00 O ATOM 959 CB ILE A 63 15.764 -4.376 5.785 1.00 0.00 C ATOM 960 CG1 ILE A 63 15.995 -4.727 7.270 1.00 0.00 C ATOM 961 CG2 ILE A 63 15.265 -5.625 5.039 1.00 0.00 C ATOM 962 CD1 ILE A 63 16.152 -3.492 8.169 1.00 0.00 C ATOM 963 OXT ILE A 63 18.160 -5.382 3.748 1.00 0.00 O ATOM 0 H ILE A 63 15.564 -3.031 3.772 1.00 0.00 H new ATOM 0 HA ILE A 63 17.460 -3.056 5.818 1.00 0.00 H new ATOM 0 HB ILE A 63 14.997 -3.603 5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 63 15.158 -5.325 7.629 1.00 0.00 H new ATOM 0 HG13 ILE A 63 16.888 -5.346 7.355 1.00 0.00 H new ATOM 0 HG21 ILE A 63 14.397 -6.034 5.555 1.00 0.00 H new ATOM 0 HG22 ILE A 63 14.987 -5.354 4.021 1.00 0.00 H new ATOM 0 HG23 ILE A 63 16.057 -6.373 5.012 1.00 0.00 H new ATOM 0 HD11 ILE A 63 16.311 -3.810 9.199 1.00 0.00 H new ATOM 0 HD12 ILE A 63 17.007 -2.905 7.834 1.00 0.00 H new ATOM 0 HD13 ILE A 63 15.249 -2.884 8.113 1.00 0.00 H new