USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 311 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot 180:sc=0.000283 USER MOD Single : A 13 HIS : no HE2:sc= -2.08 K(o=-2.1,f=-3.7!) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot -50:sc= 0.00968 USER MOD Single : A 30 THR OG1 : rot 50:sc= -0.0889 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.711 K(o=-0.71,f=-1.4!) USER MOD Single : A 40 LYS NZ :NH3+ -153:sc= -0.751 (180deg=-1.42) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 2 13.851 10.377 1.585 1.00 0.00 N ATOM 2 CA LEU A 2 12.781 11.253 1.023 1.00 0.00 C ATOM 3 C LEU A 2 11.935 10.435 0.041 1.00 0.00 C ATOM 4 O LEU A 2 10.757 10.678 -0.129 1.00 0.00 O ATOM 5 CB LEU A 2 13.438 12.442 0.299 1.00 0.00 C ATOM 6 CG LEU A 2 12.392 13.304 -0.442 1.00 0.00 C ATOM 7 CD1 LEU A 2 11.274 13.757 0.519 1.00 0.00 C ATOM 8 CD2 LEU A 2 13.099 14.534 -1.029 1.00 0.00 C ATOM 0 HA LEU A 2 12.140 11.630 1.819 1.00 0.00 H new ATOM 0 HB2 LEU A 2 13.973 13.059 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 2 14.176 12.073 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 2 11.937 12.712 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 2 10.549 14.362 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 2 10.775 12.882 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 2 11.706 14.347 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 2 12.374 15.154 -1.556 1.00 0.00 H new ATOM 0 HD22 LEU A 2 13.553 15.112 -0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 2 13.874 14.211 -1.725 1.00 0.00 H new ATOM 20 N SER A 3 12.528 9.468 -0.604 1.00 0.00 N ATOM 21 CA SER A 3 11.758 8.637 -1.573 1.00 0.00 C ATOM 22 C SER A 3 10.631 7.899 -0.811 1.00 0.00 C ATOM 23 O SER A 3 10.804 7.603 0.354 1.00 0.00 O ATOM 24 CB SER A 3 12.712 7.617 -2.211 1.00 0.00 C ATOM 25 OG SER A 3 13.493 7.008 -1.191 1.00 0.00 O ATOM 0 H SER A 3 13.511 9.217 -0.502 1.00 0.00 H new ATOM 0 HA SER A 3 11.319 9.262 -2.351 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.145 6.860 -2.753 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.359 8.110 -2.936 1.00 0.00 H new ATOM 0 HG SER A 3 14.103 6.354 -1.592 1.00 0.00 H new ATOM 31 N PRO A 4 9.510 7.603 -1.461 1.00 0.00 N ATOM 32 CA PRO A 4 8.411 6.890 -0.778 1.00 0.00 C ATOM 33 C PRO A 4 8.936 5.560 -0.211 1.00 0.00 C ATOM 34 O PRO A 4 9.460 4.732 -0.930 1.00 0.00 O ATOM 35 CB PRO A 4 7.326 6.670 -1.873 1.00 0.00 C ATOM 36 CG PRO A 4 7.911 7.209 -3.218 1.00 0.00 C ATOM 37 CD PRO A 4 9.240 7.937 -2.883 1.00 0.00 C ATOM 0 HA PRO A 4 8.000 7.444 0.066 1.00 0.00 H new ATOM 0 HB2 PRO A 4 7.075 5.613 -1.959 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.407 7.196 -1.615 1.00 0.00 H new ATOM 0 HG2 PRO A 4 8.086 6.391 -3.916 1.00 0.00 H new ATOM 0 HG3 PRO A 4 7.209 7.892 -3.697 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.050 7.598 -3.529 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.148 9.014 -3.025 1.00 0.00 H new ATOM 45 N ALA A 5 8.799 5.354 1.071 1.00 0.00 N ATOM 46 CA ALA A 5 9.288 4.086 1.681 1.00 0.00 C ATOM 47 C ALA A 5 8.410 2.921 1.219 1.00 0.00 C ATOM 48 O ALA A 5 8.784 1.769 1.328 1.00 0.00 O ATOM 49 CB ALA A 5 9.222 4.198 3.206 1.00 0.00 C ATOM 0 H ALA A 5 8.369 6.011 1.722 1.00 0.00 H new ATOM 0 HA ALA A 5 10.318 3.908 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.579 3.271 3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.848 5.027 3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 5 8.192 4.376 3.513 1.00 0.00 H new ATOM 55 N ILE A 6 7.243 3.207 0.703 1.00 0.00 N ATOM 56 CA ILE A 6 6.342 2.112 0.234 1.00 0.00 C ATOM 57 C ILE A 6 6.882 1.546 -1.067 1.00 0.00 C ATOM 58 O ILE A 6 6.683 0.389 -1.379 1.00 0.00 O ATOM 59 CB ILE A 6 4.921 2.660 0.048 1.00 0.00 C ATOM 60 CG1 ILE A 6 4.393 3.101 1.421 1.00 0.00 C ATOM 61 CG2 ILE A 6 4.007 1.566 -0.536 1.00 0.00 C ATOM 62 CD1 ILE A 6 3.076 3.862 1.256 1.00 0.00 C ATOM 0 H ILE A 6 6.875 4.151 0.586 1.00 0.00 H new ATOM 0 HA ILE A 6 6.305 1.313 0.974 1.00 0.00 H new ATOM 0 HB ILE A 6 4.933 3.505 -0.641 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.242 2.230 2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 6 5.129 3.734 1.916 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.000 1.963 -0.665 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.396 1.244 -1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.977 0.715 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.709 4.171 2.235 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.240 4.743 0.636 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.339 3.215 0.780 1.00 0.00 H new ATOM 74 N ARG A 7 7.599 2.336 -1.819 1.00 0.00 N ATOM 75 CA ARG A 7 8.188 1.812 -3.087 1.00 0.00 C ATOM 76 C ARG A 7 8.992 0.559 -2.734 1.00 0.00 C ATOM 77 O ARG A 7 9.092 -0.381 -3.499 1.00 0.00 O ATOM 78 CB ARG A 7 9.111 2.868 -3.703 1.00 0.00 C ATOM 79 CG ARG A 7 9.618 2.377 -5.061 1.00 0.00 C ATOM 80 CD ARG A 7 10.462 3.473 -5.716 1.00 0.00 C ATOM 81 NE ARG A 7 10.971 2.985 -7.033 1.00 0.00 N ATOM 82 CZ ARG A 7 11.477 3.824 -7.900 1.00 0.00 C ATOM 83 NH1 ARG A 7 11.542 5.098 -7.621 1.00 0.00 N ATOM 84 NH2 ARG A 7 11.919 3.385 -9.047 1.00 0.00 N ATOM 0 H ARG A 7 7.802 3.314 -1.614 1.00 0.00 H new ATOM 0 HA ARG A 7 7.406 1.576 -3.809 1.00 0.00 H new ATOM 0 HB2 ARG A 7 8.575 3.809 -3.822 1.00 0.00 H new ATOM 0 HB3 ARG A 7 9.952 3.063 -3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 7 10.212 1.472 -4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 7 8.777 2.118 -5.704 1.00 0.00 H new ATOM 0 HD2 ARG A 7 9.864 4.374 -5.856 1.00 0.00 H new ATOM 0 HD3 ARG A 7 11.296 3.742 -5.068 1.00 0.00 H new ATOM 0 HE ARG A 7 10.924 1.991 -7.258 1.00 0.00 H new ATOM 0 HH11 ARG A 7 11.198 5.442 -6.725 1.00 0.00 H new ATOM 0 HH12 ARG A 7 11.937 5.749 -8.299 1.00 0.00 H new ATOM 0 HH21 ARG A 7 11.869 2.390 -9.266 1.00 0.00 H new ATOM 0 HH22 ARG A 7 12.314 4.037 -9.725 1.00 0.00 H new ATOM 98 N ARG A 8 9.538 0.550 -1.545 1.00 0.00 N ATOM 99 CA ARG A 8 10.322 -0.627 -1.068 1.00 0.00 C ATOM 100 C ARG A 8 9.355 -1.734 -0.620 1.00 0.00 C ATOM 101 O ARG A 8 9.243 -2.749 -1.261 1.00 0.00 O ATOM 102 CB ARG A 8 11.197 -0.207 0.115 1.00 0.00 C ATOM 103 CG ARG A 8 12.157 0.897 -0.327 1.00 0.00 C ATOM 104 CD ARG A 8 13.047 1.303 0.850 1.00 0.00 C ATOM 105 NE ARG A 8 13.964 2.402 0.422 1.00 0.00 N ATOM 106 CZ ARG A 8 14.619 3.103 1.313 1.00 0.00 C ATOM 107 NH1 ARG A 8 14.477 2.844 2.586 1.00 0.00 N ATOM 108 NH2 ARG A 8 15.417 4.061 0.929 1.00 0.00 N ATOM 0 H ARG A 8 9.473 1.318 -0.877 1.00 0.00 H new ATOM 0 HA ARG A 8 10.953 -0.998 -1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 8 10.572 0.147 0.935 1.00 0.00 H new ATOM 0 HB3 ARG A 8 11.758 -1.064 0.488 1.00 0.00 H new ATOM 0 HG2 ARG A 8 12.771 0.548 -1.157 1.00 0.00 H new ATOM 0 HG3 ARG A 8 11.595 1.759 -0.686 1.00 0.00 H new ATOM 0 HD2 ARG A 8 12.433 1.632 1.688 1.00 0.00 H new ATOM 0 HD3 ARG A 8 13.625 0.446 1.196 1.00 0.00 H new ATOM 0 HE ARG A 8 14.081 2.607 -0.570 1.00 0.00 H new ATOM 0 HH11 ARG A 8 13.855 2.094 2.888 1.00 0.00 H new ATOM 0 HH12 ARG A 8 14.988 3.392 3.278 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.530 4.263 -0.064 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.928 4.608 1.622 1.00 0.00 H new ATOM 122 N LEU A 9 8.662 -1.538 0.482 1.00 0.00 N ATOM 123 CA LEU A 9 7.695 -2.572 0.997 1.00 0.00 C ATOM 124 C LEU A 9 6.860 -3.168 -0.155 1.00 0.00 C ATOM 125 O LEU A 9 6.746 -4.370 -0.286 1.00 0.00 O ATOM 126 CB LEU A 9 6.762 -1.889 2.049 1.00 0.00 C ATOM 127 CG LEU A 9 6.445 -2.838 3.242 1.00 0.00 C ATOM 128 CD1 LEU A 9 7.584 -2.816 4.280 1.00 0.00 C ATOM 129 CD2 LEU A 9 5.118 -2.418 3.918 1.00 0.00 C ATOM 0 H LEU A 9 8.725 -0.696 1.054 1.00 0.00 H new ATOM 0 HA LEU A 9 8.246 -3.391 1.459 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.238 -0.982 2.422 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.832 -1.586 1.568 1.00 0.00 H new ATOM 0 HG LEU A 9 6.349 -3.851 2.852 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.339 -3.487 5.103 1.00 0.00 H new ATOM 0 HD12 LEU A 9 8.511 -3.143 3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.708 -1.803 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.906 -3.088 4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.205 -1.396 4.288 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.307 -2.473 3.192 1.00 0.00 H new ATOM 141 N LEU A 10 6.275 -2.342 -0.980 1.00 0.00 N ATOM 142 CA LEU A 10 5.449 -2.878 -2.104 1.00 0.00 C ATOM 143 C LEU A 10 6.305 -3.837 -2.948 1.00 0.00 C ATOM 144 O LEU A 10 5.948 -4.979 -3.162 1.00 0.00 O ATOM 145 CB LEU A 10 4.933 -1.695 -2.964 1.00 0.00 C ATOM 146 CG LEU A 10 3.566 -2.024 -3.592 1.00 0.00 C ATOM 147 CD1 LEU A 10 3.098 -0.837 -4.440 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.677 -3.278 -4.474 1.00 0.00 C ATOM 0 H LEU A 10 6.332 -1.325 -0.927 1.00 0.00 H new ATOM 0 HA LEU A 10 4.591 -3.428 -1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 10 4.847 -0.801 -2.346 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.654 -1.471 -3.750 1.00 0.00 H new ATOM 0 HG LEU A 10 2.844 -2.214 -2.798 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.130 -1.067 -4.886 1.00 0.00 H new ATOM 0 HD12 LEU A 10 3.006 0.047 -3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.825 -0.645 -5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.705 -3.501 -4.913 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.402 -3.101 -5.269 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.003 -4.122 -3.867 1.00 0.00 H new ATOM 160 N ALA A 11 7.436 -3.381 -3.421 1.00 0.00 N ATOM 161 CA ALA A 11 8.311 -4.267 -4.245 1.00 0.00 C ATOM 162 C ALA A 11 8.974 -5.315 -3.348 1.00 0.00 C ATOM 163 O ALA A 11 9.442 -6.335 -3.814 1.00 0.00 O ATOM 164 CB ALA A 11 9.390 -3.424 -4.928 1.00 0.00 C ATOM 0 H ALA A 11 7.791 -2.436 -3.273 1.00 0.00 H new ATOM 0 HA ALA A 11 7.707 -4.769 -5.001 1.00 0.00 H new ATOM 0 HB1 ALA A 11 10.029 -4.070 -5.530 1.00 0.00 H new ATOM 0 HB2 ALA A 11 8.918 -2.680 -5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 11 9.992 -2.921 -4.171 1.00 0.00 H new ATOM 170 N GLU A 12 9.016 -5.076 -2.066 1.00 0.00 N ATOM 171 CA GLU A 12 9.644 -6.062 -1.149 1.00 0.00 C ATOM 172 C GLU A 12 8.799 -7.345 -1.176 1.00 0.00 C ATOM 173 O GLU A 12 9.223 -8.373 -1.668 1.00 0.00 O ATOM 174 CB GLU A 12 9.673 -5.498 0.281 1.00 0.00 C ATOM 175 CG GLU A 12 10.620 -6.331 1.152 1.00 0.00 C ATOM 176 CD GLU A 12 10.603 -5.792 2.584 1.00 0.00 C ATOM 177 OE1 GLU A 12 9.521 -5.545 3.091 1.00 0.00 O ATOM 178 OE2 GLU A 12 11.673 -5.636 3.150 1.00 0.00 O ATOM 0 H GLU A 12 8.642 -4.240 -1.616 1.00 0.00 H new ATOM 0 HA GLU A 12 10.666 -6.271 -1.465 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.000 -4.458 0.265 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.669 -5.510 0.706 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.314 -7.377 1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.632 -6.291 0.749 1.00 0.00 H new ATOM 185 N HIS A 13 7.599 -7.285 -0.639 1.00 0.00 N ATOM 186 CA HIS A 13 6.716 -8.482 -0.616 1.00 0.00 C ATOM 187 C HIS A 13 6.358 -8.941 -2.045 1.00 0.00 C ATOM 188 O HIS A 13 6.207 -10.119 -2.287 1.00 0.00 O ATOM 189 CB HIS A 13 5.460 -8.107 0.156 1.00 0.00 C ATOM 190 CG HIS A 13 5.865 -7.487 1.467 1.00 0.00 C ATOM 191 ND1 HIS A 13 6.602 -8.177 2.420 1.00 0.00 N ATOM 192 CD2 HIS A 13 5.665 -6.234 1.988 1.00 0.00 C ATOM 193 CE1 HIS A 13 6.814 -7.334 3.452 1.00 0.00 C ATOM 194 NE2 HIS A 13 6.260 -6.149 3.240 1.00 0.00 N ATOM 0 H HIS A 13 7.198 -6.448 -0.215 1.00 0.00 H new ATOM 0 HA HIS A 13 7.229 -9.315 -0.136 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.856 -7.407 -0.422 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.846 -8.990 0.330 1.00 0.00 H new ATOM 0 HD1 HIS A 13 6.924 -9.143 2.353 1.00 0.00 H new ATOM 0 HD2 HIS A 13 5.127 -5.435 1.499 1.00 0.00 H new ATOM 0 HE1 HIS A 13 7.368 -7.593 4.342 1.00 0.00 H new ATOM 202 N ASN A 14 6.239 -8.025 -2.989 1.00 0.00 N ATOM 203 CA ASN A 14 5.917 -8.387 -4.415 1.00 0.00 C ATOM 204 C ASN A 14 4.409 -8.656 -4.614 1.00 0.00 C ATOM 205 O ASN A 14 3.997 -9.778 -4.835 1.00 0.00 O ATOM 206 CB ASN A 14 6.745 -9.621 -4.865 1.00 0.00 C ATOM 207 CG ASN A 14 6.917 -9.619 -6.392 1.00 0.00 C ATOM 208 OD1 ASN A 14 7.515 -8.719 -6.946 1.00 0.00 O ATOM 209 ND2 ASN A 14 6.413 -10.597 -7.094 1.00 0.00 N ATOM 0 H ASN A 14 6.354 -7.025 -2.826 1.00 0.00 H new ATOM 0 HA ASN A 14 6.186 -7.532 -5.035 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.722 -9.608 -4.382 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.246 -10.537 -4.550 1.00 0.00 H new ATOM 0 HD21 ASN A 14 6.521 -10.605 -8.108 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.911 -11.353 -6.628 1.00 0.00 H new ATOM 216 N LEU A 15 3.589 -7.620 -4.579 1.00 0.00 N ATOM 217 CA LEU A 15 2.106 -7.781 -4.813 1.00 0.00 C ATOM 218 C LEU A 15 1.666 -6.736 -5.844 1.00 0.00 C ATOM 219 O LEU A 15 2.018 -5.577 -5.754 1.00 0.00 O ATOM 220 CB LEU A 15 1.327 -7.549 -3.499 1.00 0.00 C ATOM 221 CG LEU A 15 1.436 -8.790 -2.565 1.00 0.00 C ATOM 222 CD1 LEU A 15 1.207 -8.371 -1.107 1.00 0.00 C ATOM 223 CD2 LEU A 15 0.377 -9.848 -2.934 1.00 0.00 C ATOM 0 H LEU A 15 3.887 -6.662 -4.397 1.00 0.00 H new ATOM 0 HA LEU A 15 1.901 -8.790 -5.171 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.719 -6.669 -2.989 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.279 -7.348 -3.723 1.00 0.00 H new ATOM 0 HG LEU A 15 2.433 -9.213 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.285 -9.245 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.959 -7.637 -0.817 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.214 -7.933 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.472 -10.706 -2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.619 -9.417 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.528 -10.170 -3.964 1.00 0.00 H new ATOM 235 N ASP A 16 0.892 -7.134 -6.817 1.00 0.00 N ATOM 236 CA ASP A 16 0.427 -6.158 -7.841 1.00 0.00 C ATOM 237 C ASP A 16 -0.532 -5.163 -7.181 1.00 0.00 C ATOM 238 O ASP A 16 -1.563 -5.537 -6.659 1.00 0.00 O ATOM 239 CB ASP A 16 -0.295 -6.904 -8.967 1.00 0.00 C ATOM 240 CG ASP A 16 0.704 -7.790 -9.714 1.00 0.00 C ATOM 241 OD1 ASP A 16 0.964 -8.884 -9.241 1.00 0.00 O ATOM 242 OD2 ASP A 16 1.192 -7.359 -10.746 1.00 0.00 O ATOM 0 H ASP A 16 0.563 -8.091 -6.946 1.00 0.00 H new ATOM 0 HA ASP A 16 1.280 -5.623 -8.258 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.101 -7.512 -8.556 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.752 -6.192 -9.655 1.00 0.00 H new ATOM 247 N ALA A 17 -0.184 -3.899 -7.186 1.00 0.00 N ATOM 248 CA ALA A 17 -1.054 -2.855 -6.549 1.00 0.00 C ATOM 249 C ALA A 17 -2.536 -3.073 -6.899 1.00 0.00 C ATOM 250 O ALA A 17 -3.417 -2.577 -6.225 1.00 0.00 O ATOM 251 CB ALA A 17 -0.617 -1.473 -7.043 1.00 0.00 C ATOM 0 H ALA A 17 0.673 -3.541 -7.607 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.945 -2.927 -5.467 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.244 -0.708 -6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.424 -1.301 -6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.719 -1.425 -8.127 1.00 0.00 H new ATOM 257 N SER A 18 -2.820 -3.806 -7.947 1.00 0.00 N ATOM 258 CA SER A 18 -4.245 -4.050 -8.339 1.00 0.00 C ATOM 259 C SER A 18 -4.808 -5.238 -7.553 1.00 0.00 C ATOM 260 O SER A 18 -5.900 -5.701 -7.820 1.00 0.00 O ATOM 261 CB SER A 18 -4.305 -4.364 -9.834 1.00 0.00 C ATOM 262 OG SER A 18 -3.566 -5.550 -10.094 1.00 0.00 O ATOM 0 H SER A 18 -2.126 -4.247 -8.550 1.00 0.00 H new ATOM 0 HA SER A 18 -4.836 -3.161 -8.118 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.341 -4.490 -10.150 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.896 -3.533 -10.409 1.00 0.00 H new ATOM 0 HG SER A 18 -3.604 -5.756 -11.051 1.00 0.00 H new ATOM 268 N ALA A 19 -4.074 -5.740 -6.585 1.00 0.00 N ATOM 269 CA ALA A 19 -4.566 -6.908 -5.777 1.00 0.00 C ATOM 270 C ALA A 19 -5.251 -6.403 -4.516 1.00 0.00 C ATOM 271 O ALA A 19 -5.961 -7.125 -3.845 1.00 0.00 O ATOM 272 CB ALA A 19 -3.381 -7.795 -5.389 1.00 0.00 C ATOM 0 H ALA A 19 -3.153 -5.391 -6.318 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.276 -7.485 -6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.737 -8.642 -4.803 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.888 -8.159 -6.291 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.672 -7.217 -4.797 1.00 0.00 H new ATOM 278 N ILE A 20 -5.038 -5.159 -4.212 1.00 0.00 N ATOM 279 CA ILE A 20 -5.652 -4.517 -2.997 1.00 0.00 C ATOM 280 C ILE A 20 -6.571 -3.376 -3.452 1.00 0.00 C ATOM 281 O ILE A 20 -6.511 -2.936 -4.582 1.00 0.00 O ATOM 282 CB ILE A 20 -4.533 -3.946 -2.105 1.00 0.00 C ATOM 283 CG1 ILE A 20 -3.497 -5.046 -1.771 1.00 0.00 C ATOM 284 CG2 ILE A 20 -5.129 -3.376 -0.807 1.00 0.00 C ATOM 285 CD1 ILE A 20 -4.166 -6.278 -1.134 1.00 0.00 C ATOM 0 H ILE A 20 -4.450 -4.534 -4.763 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.225 -5.254 -2.435 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.032 -3.144 -2.647 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.975 -5.344 -2.680 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -2.747 -4.645 -1.090 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.329 -2.975 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.834 -2.580 -1.049 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -5.647 -4.168 -0.266 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -3.408 -7.030 -0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.666 -5.984 -0.211 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.898 -6.693 -1.827 1.00 0.00 H new ATOM 297 N LYS A 21 -7.417 -2.889 -2.575 1.00 0.00 N ATOM 298 CA LYS A 21 -8.340 -1.769 -2.941 1.00 0.00 C ATOM 299 C LYS A 21 -7.685 -0.439 -2.556 1.00 0.00 C ATOM 300 O LYS A 21 -6.496 -0.250 -2.720 1.00 0.00 O ATOM 301 CB LYS A 21 -9.655 -1.939 -2.173 1.00 0.00 C ATOM 302 CG LYS A 21 -10.230 -3.331 -2.446 1.00 0.00 C ATOM 303 CD LYS A 21 -11.568 -3.483 -1.718 1.00 0.00 C ATOM 304 CE LYS A 21 -12.168 -4.854 -2.032 1.00 0.00 C ATOM 305 NZ LYS A 21 -13.450 -5.016 -1.289 1.00 0.00 N ATOM 0 H LYS A 21 -7.508 -3.222 -1.615 1.00 0.00 H new ATOM 0 HA LYS A 21 -8.540 -1.779 -4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.484 -1.808 -1.105 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.368 -1.173 -2.478 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.369 -3.475 -3.518 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.532 -4.097 -2.109 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.423 -3.375 -0.643 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.254 -2.695 -2.028 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -12.342 -4.950 -3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.470 -5.642 -1.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.859 -5.948 -1.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -13.271 -4.942 -0.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.116 -4.271 -1.579 1.00 0.00 H new ATOM 319 N GLY A 22 -8.450 0.477 -2.037 1.00 0.00 N ATOM 320 CA GLY A 22 -7.876 1.792 -1.629 1.00 0.00 C ATOM 321 C GLY A 22 -8.924 2.600 -0.897 1.00 0.00 C ATOM 322 O GLY A 22 -9.862 3.112 -1.476 1.00 0.00 O ATOM 0 H GLY A 22 -9.452 0.374 -1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.008 1.638 -0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.530 2.337 -2.507 1.00 0.00 H new ATOM 326 N THR A 23 -8.769 2.702 0.388 1.00 0.00 N ATOM 327 CA THR A 23 -9.740 3.456 1.210 1.00 0.00 C ATOM 328 C THR A 23 -9.413 4.959 1.168 1.00 0.00 C ATOM 329 O THR A 23 -9.794 5.714 2.041 1.00 0.00 O ATOM 330 CB THR A 23 -9.655 2.888 2.635 1.00 0.00 C ATOM 331 OG1 THR A 23 -10.848 3.193 3.341 1.00 0.00 O ATOM 332 CG2 THR A 23 -8.441 3.448 3.399 1.00 0.00 C ATOM 0 H THR A 23 -7.997 2.287 0.910 1.00 0.00 H new ATOM 0 HA THR A 23 -10.757 3.349 0.831 1.00 0.00 H new ATOM 0 HB THR A 23 -9.533 1.808 2.560 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.051 4.147 3.244 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.415 3.023 4.402 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.525 3.185 2.870 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.522 4.533 3.466 1.00 0.00 H new ATOM 340 N GLY A 24 -8.718 5.399 0.147 1.00 0.00 N ATOM 341 CA GLY A 24 -8.367 6.843 0.031 1.00 0.00 C ATOM 342 C GLY A 24 -9.563 7.598 -0.567 1.00 0.00 C ATOM 343 O GLY A 24 -10.525 7.898 0.111 1.00 0.00 O ATOM 0 H GLY A 24 -8.378 4.812 -0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.116 7.250 1.010 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.488 6.968 -0.601 1.00 0.00 H new ATOM 347 N VAL A 25 -9.523 7.862 -1.850 1.00 0.00 N ATOM 348 CA VAL A 25 -10.678 8.552 -2.542 1.00 0.00 C ATOM 349 C VAL A 25 -10.704 8.067 -3.999 1.00 0.00 C ATOM 350 O VAL A 25 -9.670 7.776 -4.569 1.00 0.00 O ATOM 351 CB VAL A 25 -10.544 10.098 -2.520 1.00 0.00 C ATOM 352 CG1 VAL A 25 -10.792 10.647 -1.106 1.00 0.00 C ATOM 353 CG2 VAL A 25 -9.150 10.535 -3.006 1.00 0.00 C ATOM 0 H VAL A 25 -8.738 7.631 -2.459 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.599 8.304 -2.014 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.297 10.504 -3.195 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.693 11.732 -1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.797 10.377 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.062 10.221 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.081 11.623 -2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.387 10.108 -2.355 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.994 10.184 -4.026 1.00 0.00 H new ATOM 363 N GLY A 26 -11.861 7.957 -4.617 1.00 0.00 N ATOM 364 CA GLY A 26 -11.892 7.472 -6.026 1.00 0.00 C ATOM 365 C GLY A 26 -11.265 6.074 -6.091 1.00 0.00 C ATOM 366 O GLY A 26 -11.122 5.499 -7.153 1.00 0.00 O ATOM 0 H GLY A 26 -12.769 8.180 -4.209 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.919 7.441 -6.390 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -11.346 8.159 -6.672 1.00 0.00 H new ATOM 370 N GLY A 27 -10.890 5.518 -4.961 1.00 0.00 N ATOM 371 CA GLY A 27 -10.276 4.157 -4.950 1.00 0.00 C ATOM 372 C GLY A 27 -8.780 4.254 -5.254 1.00 0.00 C ATOM 373 O GLY A 27 -8.257 3.512 -6.062 1.00 0.00 O ATOM 0 H GLY A 27 -10.985 5.954 -4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.428 3.689 -3.978 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.765 3.523 -5.689 1.00 0.00 H new ATOM 377 N ARG A 28 -8.073 5.149 -4.604 1.00 0.00 N ATOM 378 CA ARG A 28 -6.602 5.270 -4.853 1.00 0.00 C ATOM 379 C ARG A 28 -5.881 4.223 -4.003 1.00 0.00 C ATOM 380 O ARG A 28 -6.034 3.036 -4.209 1.00 0.00 O ATOM 381 CB ARG A 28 -6.134 6.697 -4.496 1.00 0.00 C ATOM 382 CG ARG A 28 -4.682 6.924 -4.976 1.00 0.00 C ATOM 383 CD ARG A 28 -4.337 8.420 -4.919 1.00 0.00 C ATOM 384 NE ARG A 28 -4.809 8.991 -3.622 1.00 0.00 N ATOM 385 CZ ARG A 28 -4.390 10.165 -3.222 1.00 0.00 C ATOM 386 NH1 ARG A 28 -3.553 10.849 -3.957 1.00 0.00 N ATOM 387 NH2 ARG A 28 -4.808 10.653 -2.087 1.00 0.00 N ATOM 0 H ARG A 28 -8.450 5.799 -3.914 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.373 5.095 -5.904 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.795 7.430 -4.958 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.195 6.848 -3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -3.991 6.359 -4.350 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.565 6.554 -5.995 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.261 8.560 -5.020 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -4.806 8.944 -5.752 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.462 8.463 -3.044 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.225 10.468 -4.845 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.228 11.763 -3.643 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.461 10.120 -1.512 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.482 11.568 -1.774 1.00 0.00 H new ATOM 401 N LEU A 29 -5.097 4.644 -3.064 1.00 0.00 N ATOM 402 CA LEU A 29 -4.359 3.667 -2.201 1.00 0.00 C ATOM 403 C LEU A 29 -3.792 4.400 -0.978 1.00 0.00 C ATOM 404 O LEU A 29 -3.527 5.584 -1.026 1.00 0.00 O ATOM 405 CB LEU A 29 -3.237 3.040 -3.046 1.00 0.00 C ATOM 406 CG LEU A 29 -2.316 2.124 -2.211 1.00 0.00 C ATOM 407 CD1 LEU A 29 -3.098 0.912 -1.676 1.00 0.00 C ATOM 408 CD2 LEU A 29 -1.172 1.633 -3.111 1.00 0.00 C ATOM 0 H LEU A 29 -4.927 5.626 -2.847 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.021 2.879 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.677 2.464 -3.860 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.642 3.832 -3.501 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.924 2.684 -1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.432 0.279 -1.090 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.918 1.257 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -3.500 0.340 -2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.511 0.984 -2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.584 1.078 -3.953 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.608 2.489 -3.482 1.00 0.00 H new ATOM 420 N THR A 30 -3.606 3.705 0.128 1.00 0.00 N ATOM 421 CA THR A 30 -3.063 4.365 1.359 1.00 0.00 C ATOM 422 C THR A 30 -2.235 3.343 2.157 1.00 0.00 C ATOM 423 O THR A 30 -2.332 2.149 1.951 1.00 0.00 O ATOM 424 CB THR A 30 -4.240 4.895 2.208 1.00 0.00 C ATOM 425 OG1 THR A 30 -5.314 3.973 2.138 1.00 0.00 O ATOM 426 CG2 THR A 30 -4.721 6.250 1.669 1.00 0.00 C ATOM 0 H THR A 30 -3.808 2.710 0.227 1.00 0.00 H new ATOM 0 HA THR A 30 -2.419 5.202 1.088 1.00 0.00 H new ATOM 0 HB THR A 30 -3.905 5.016 3.238 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.984 3.071 2.331 1.00 0.00 H new ATOM 0 HG21 THR A 30 -5.550 6.610 2.278 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.903 6.969 1.709 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.052 6.134 0.637 1.00 0.00 H new ATOM 434 N ARG A 31 -1.402 3.815 3.048 1.00 0.00 N ATOM 435 CA ARG A 31 -0.535 2.897 3.850 1.00 0.00 C ATOM 436 C ARG A 31 -1.360 2.149 4.913 1.00 0.00 C ATOM 437 O ARG A 31 -0.980 1.090 5.373 1.00 0.00 O ATOM 438 CB ARG A 31 0.551 3.731 4.548 1.00 0.00 C ATOM 439 CG ARG A 31 1.614 2.808 5.156 1.00 0.00 C ATOM 440 CD ARG A 31 2.651 3.647 5.904 1.00 0.00 C ATOM 441 NE ARG A 31 3.259 4.638 4.966 1.00 0.00 N ATOM 442 CZ ARG A 31 3.957 5.646 5.426 1.00 0.00 C ATOM 443 NH1 ARG A 31 4.127 5.795 6.712 1.00 0.00 N ATOM 444 NH2 ARG A 31 4.483 6.505 4.596 1.00 0.00 N ATOM 0 H ARG A 31 -1.283 4.806 3.257 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.086 2.161 3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 31 1.014 4.411 3.833 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.103 4.346 5.328 1.00 0.00 H new ATOM 0 HG2 ARG A 31 1.147 2.097 5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 31 2.098 2.227 4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 31 2.182 4.163 6.741 1.00 0.00 H new ATOM 0 HD3 ARG A 31 3.425 3.002 6.320 1.00 0.00 H new ATOM 0 HE ARG A 31 3.130 4.529 3.960 1.00 0.00 H new ATOM 0 HH11 ARG A 31 3.716 5.125 7.362 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.671 6.581 7.067 1.00 0.00 H new ATOM 0 HH21 ARG A 31 4.350 6.390 3.591 1.00 0.00 H new ATOM 0 HH22 ARG A 31 5.027 7.291 4.952 1.00 0.00 H new ATOM 458 N GLU A 32 -2.458 2.712 5.333 1.00 0.00 N ATOM 459 CA GLU A 32 -3.281 2.062 6.399 1.00 0.00 C ATOM 460 C GLU A 32 -3.824 0.690 5.970 1.00 0.00 C ATOM 461 O GLU A 32 -4.116 -0.140 6.807 1.00 0.00 O ATOM 462 CB GLU A 32 -4.454 2.986 6.760 1.00 0.00 C ATOM 463 CG GLU A 32 -5.413 3.121 5.566 1.00 0.00 C ATOM 464 CD GLU A 32 -6.415 4.249 5.831 1.00 0.00 C ATOM 465 OE1 GLU A 32 -7.411 3.987 6.485 1.00 0.00 O ATOM 466 OE2 GLU A 32 -6.169 5.352 5.374 1.00 0.00 O ATOM 0 H GLU A 32 -2.825 3.598 4.985 1.00 0.00 H new ATOM 0 HA GLU A 32 -2.635 1.899 7.262 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -4.989 2.586 7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.078 3.968 7.046 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -4.849 3.329 4.657 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -5.943 2.182 5.405 1.00 0.00 H new ATOM 473 N ASP A 33 -3.981 0.432 4.691 1.00 0.00 N ATOM 474 CA ASP A 33 -4.531 -0.899 4.254 1.00 0.00 C ATOM 475 C ASP A 33 -3.375 -1.877 4.006 1.00 0.00 C ATOM 476 O ASP A 33 -3.293 -2.905 4.648 1.00 0.00 O ATOM 477 CB ASP A 33 -5.337 -0.714 2.964 1.00 0.00 C ATOM 478 CG ASP A 33 -6.357 0.410 3.158 1.00 0.00 C ATOM 479 OD1 ASP A 33 -7.045 0.391 4.165 1.00 0.00 O ATOM 480 OD2 ASP A 33 -6.431 1.270 2.296 1.00 0.00 O ATOM 0 H ASP A 33 -3.755 1.078 3.935 1.00 0.00 H new ATOM 0 HA ASP A 33 -5.179 -1.301 5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -4.669 -0.475 2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.847 -1.642 2.705 1.00 0.00 H new ATOM 485 N VAL A 34 -2.479 -1.570 3.078 1.00 0.00 N ATOM 486 CA VAL A 34 -1.323 -2.484 2.791 1.00 0.00 C ATOM 487 C VAL A 34 -0.736 -3.036 4.101 1.00 0.00 C ATOM 488 O VAL A 34 -0.229 -4.140 4.150 1.00 0.00 O ATOM 489 CB VAL A 34 -0.244 -1.698 2.028 1.00 0.00 C ATOM 490 CG1 VAL A 34 0.794 -2.670 1.456 1.00 0.00 C ATOM 491 CG2 VAL A 34 -0.900 -0.915 0.881 1.00 0.00 C ATOM 0 H VAL A 34 -2.505 -0.723 2.510 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.669 -3.324 2.188 1.00 0.00 H new ATOM 0 HB VAL A 34 0.249 -1.004 2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.558 -2.110 0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.259 -3.226 2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.304 -3.366 0.775 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.137 -0.357 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.393 -1.610 0.201 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.636 -0.222 1.288 1.00 0.00 H new ATOM 501 N GLU A 35 -0.822 -2.279 5.169 1.00 0.00 N ATOM 502 CA GLU A 35 -0.293 -2.760 6.479 1.00 0.00 C ATOM 503 C GLU A 35 -1.363 -3.632 7.162 1.00 0.00 C ATOM 504 O GLU A 35 -1.059 -4.716 7.618 1.00 0.00 O ATOM 505 CB GLU A 35 0.041 -1.558 7.367 1.00 0.00 C ATOM 506 CG GLU A 35 1.239 -0.801 6.780 1.00 0.00 C ATOM 507 CD GLU A 35 1.663 0.310 7.743 1.00 0.00 C ATOM 508 OE1 GLU A 35 0.792 1.026 8.210 1.00 0.00 O ATOM 509 OE2 GLU A 35 2.851 0.425 7.997 1.00 0.00 O ATOM 0 H GLU A 35 -1.237 -1.347 5.187 1.00 0.00 H new ATOM 0 HA GLU A 35 0.611 -3.348 6.321 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.821 -0.895 7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.270 -1.893 8.379 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.069 -1.487 6.612 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.975 -0.376 5.812 1.00 0.00 H new ATOM 516 N LYS A 36 -2.622 -3.191 7.237 1.00 0.00 N ATOM 517 CA LYS A 36 -3.676 -4.044 7.891 1.00 0.00 C ATOM 518 C LYS A 36 -3.568 -5.486 7.364 1.00 0.00 C ATOM 519 O LYS A 36 -3.753 -6.440 8.093 1.00 0.00 O ATOM 520 CB LYS A 36 -5.073 -3.466 7.574 1.00 0.00 C ATOM 521 CG LYS A 36 -5.368 -2.219 8.453 1.00 0.00 C ATOM 522 CD LYS A 36 -5.963 -2.634 9.811 1.00 0.00 C ATOM 523 CE LYS A 36 -6.286 -1.383 10.629 1.00 0.00 C ATOM 524 NZ LYS A 36 -6.957 -1.779 11.899 1.00 0.00 N ATOM 0 H LYS A 36 -2.949 -2.294 6.878 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.529 -4.048 8.971 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.128 -3.194 6.520 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.834 -4.227 7.748 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.449 -1.655 8.611 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.062 -1.559 7.933 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.866 -3.225 9.659 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -5.257 -3.263 10.353 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.371 -0.831 10.845 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.932 -0.718 10.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.177 -0.928 12.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.838 -2.288 11.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.326 -2.398 12.447 1.00 0.00 H new ATOM 538 N HIS A 37 -3.225 -5.646 6.113 1.00 0.00 N ATOM 539 CA HIS A 37 -3.055 -7.012 5.556 1.00 0.00 C ATOM 540 C HIS A 37 -1.809 -7.600 6.209 1.00 0.00 C ATOM 541 O HIS A 37 -1.883 -8.491 7.032 1.00 0.00 O ATOM 542 CB HIS A 37 -2.859 -6.919 4.038 1.00 0.00 C ATOM 543 CG HIS A 37 -2.629 -8.291 3.462 1.00 0.00 C ATOM 544 ND1 HIS A 37 -2.796 -9.445 4.211 1.00 0.00 N ATOM 545 CD2 HIS A 37 -2.247 -8.708 2.210 1.00 0.00 C ATOM 546 CE1 HIS A 37 -2.517 -10.490 3.412 1.00 0.00 C ATOM 547 NE2 HIS A 37 -2.176 -10.096 2.181 1.00 0.00 N ATOM 0 H HIS A 37 -3.056 -4.885 5.455 1.00 0.00 H new ATOM 0 HA HIS A 37 -3.927 -7.636 5.752 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -3.736 -6.465 3.577 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -2.010 -6.274 3.812 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -2.034 -8.057 1.375 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -2.563 -11.522 3.727 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -1.919 -10.687 1.390 1.00 0.00 H new ATOM 555 N LEU A 38 -0.665 -7.075 5.871 1.00 0.00 N ATOM 556 CA LEU A 38 0.597 -7.572 6.501 1.00 0.00 C ATOM 557 C LEU A 38 0.560 -7.219 8.010 1.00 0.00 C ATOM 558 O LEU A 38 -0.187 -7.822 8.753 1.00 0.00 O ATOM 559 CB LEU A 38 1.803 -6.891 5.842 1.00 0.00 C ATOM 560 CG LEU A 38 1.825 -7.173 4.322 1.00 0.00 C ATOM 561 CD1 LEU A 38 2.790 -6.192 3.644 1.00 0.00 C ATOM 562 CD2 LEU A 38 2.284 -8.622 4.043 1.00 0.00 C ATOM 0 H LEU A 38 -0.546 -6.326 5.189 1.00 0.00 H new ATOM 0 HA LEU A 38 0.684 -8.650 6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.761 -5.816 6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.725 -7.252 6.298 1.00 0.00 H new ATOM 0 HG LEU A 38 0.818 -7.045 3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.811 -6.385 2.571 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.455 -5.170 3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.791 -6.323 4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.293 -8.800 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.287 -8.769 4.443 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.596 -9.320 4.521 1.00 0.00 H new ATOM 574 N ALA A 39 1.340 -6.241 8.491 1.00 0.00 N ATOM 575 CA ALA A 39 1.282 -5.899 9.946 1.00 0.00 C ATOM 576 C ALA A 39 1.413 -7.167 10.797 1.00 0.00 C ATOM 577 O ALA A 39 0.452 -7.649 11.362 1.00 0.00 O ATOM 578 CB ALA A 39 -0.051 -5.204 10.250 1.00 0.00 C ATOM 0 H ALA A 39 1.994 -5.688 7.937 1.00 0.00 H new ATOM 0 HA ALA A 39 2.108 -5.231 10.189 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.097 -4.953 11.310 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.129 -4.292 9.658 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.875 -5.872 9.999 1.00 0.00 H new ATOM 584 N LYS A 40 2.596 -7.711 10.892 1.00 0.00 N ATOM 585 CA LYS A 40 2.788 -8.945 11.705 1.00 0.00 C ATOM 586 C LYS A 40 2.476 -8.637 13.173 1.00 0.00 C ATOM 587 O LYS A 40 2.761 -7.530 13.600 1.00 0.00 O ATOM 588 CB LYS A 40 4.242 -9.424 11.567 1.00 0.00 C ATOM 589 CG LYS A 40 4.394 -10.835 12.163 1.00 0.00 C ATOM 590 CD LYS A 40 5.881 -11.197 12.308 1.00 0.00 C ATOM 591 CE LYS A 40 6.597 -11.084 10.952 1.00 0.00 C ATOM 592 NZ LYS A 40 5.743 -11.675 9.882 1.00 0.00 N ATOM 593 OXT LYS A 40 1.959 -9.515 13.844 1.00 0.00 O ATOM 0 H LYS A 40 3.438 -7.354 10.441 1.00 0.00 H new ATOM 0 HA LYS A 40 2.118 -9.729 11.352 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.532 -9.432 10.516 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.911 -8.731 12.078 1.00 0.00 H new ATOM 0 HG2 LYS A 40 3.905 -10.880 13.136 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.897 -11.563 11.522 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.354 -10.534 13.032 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.978 -12.212 12.694 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.807 -10.038 10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.556 -11.600 10.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 6.345 -12.017 9.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.197 -12.469 10.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.090 -10.951 9.520 1.00 0.00 H new TER 607 LYS A 40