USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 418 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 37 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 6 LYS NZ :NH3+ -133:sc= 0 (180deg=-1.09) USER MOD Set 2.2: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= -3.23 X(o=-3.2,f=-3.4!) USER MOD Single : A 10 SER OG : rot 15:sc= 0.0216 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.969 USER MOD Single : A 22 THR OG1 : rot 83:sc= -2.46! USER MOD Single : A 23 GLN : amide:sc= -0.255 K(o=-0.25,f=-2.3!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -5.02! C(o=-5!,f=-14!) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.478 K(o=0.48,f=-0.038) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=0.58) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N GLU A 2 -2.184 -9.894 -2.620 1.00 0.00 N ATOM 21 CA GLU A 2 -2.573 -9.396 -1.306 1.00 0.00 C ATOM 22 C GLU A 2 -1.353 -9.100 -0.443 1.00 0.00 C ATOM 23 O GLU A 2 -0.372 -9.845 -0.442 1.00 0.00 O ATOM 24 CB GLU A 2 -3.534 -10.362 -0.609 1.00 0.00 C ATOM 25 CG GLU A 2 -4.942 -10.340 -1.183 1.00 0.00 C ATOM 26 CD GLU A 2 -5.728 -11.592 -0.846 1.00 0.00 C ATOM 27 OE1 GLU A 2 -6.155 -11.730 0.320 1.00 0.00 O ATOM 28 OE2 GLU A 2 -5.917 -12.436 -1.748 1.00 0.00 O ATOM 0 HA GLU A 2 -3.104 -8.455 -1.452 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.136 -11.374 -0.683 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -3.579 -10.114 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -5.473 -9.468 -0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -4.887 -10.230 -2.266 1.00 0.00 H new ATOM 35 N ALA A 3 -1.436 -7.995 0.288 1.00 0.00 N ATOM 36 CA ALA A 3 -0.379 -7.521 1.166 1.00 0.00 C ATOM 37 C ALA A 3 -0.972 -6.858 2.399 1.00 0.00 C ATOM 38 O ALA A 3 -1.951 -6.119 2.295 1.00 0.00 O ATOM 39 CB ALA A 3 0.527 -6.549 0.427 1.00 0.00 C ATOM 0 H ALA A 3 -2.259 -7.392 0.285 1.00 0.00 H new ATOM 0 HA ALA A 3 0.216 -8.377 1.485 1.00 0.00 H new ATOM 0 HB1 ALA A 3 1.313 -6.203 1.098 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.976 -7.050 -0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -0.058 -5.696 0.083 1.00 0.00 H new ATOM 45 N ILE A 4 -0.348 -7.054 3.550 1.00 0.00 N ATOM 46 CA ILE A 4 -0.817 -6.428 4.778 1.00 0.00 C ATOM 47 C ILE A 4 0.107 -5.276 5.160 1.00 0.00 C ATOM 48 O ILE A 4 1.294 -5.314 4.841 1.00 0.00 O ATOM 49 CB ILE A 4 -0.880 -7.470 5.917 1.00 0.00 C ATOM 50 CG1 ILE A 4 -1.577 -6.886 7.149 1.00 0.00 C ATOM 51 CG2 ILE A 4 0.516 -7.963 6.269 1.00 0.00 C ATOM 52 CD1 ILE A 4 -2.786 -7.681 7.591 1.00 0.00 C ATOM 0 H ILE A 4 0.481 -7.639 3.660 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.820 -6.033 4.615 1.00 0.00 H new ATOM 0 HB ILE A 4 -1.465 -8.321 5.570 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.863 -6.837 7.972 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.884 -5.863 6.932 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.451 -8.696 7.073 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.970 -8.425 5.393 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.128 -7.121 6.594 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.230 -7.210 8.468 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -3.518 -7.708 6.784 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -2.482 -8.698 7.840 1.00 0.00 H new ATOM 64 N ALA A 5 -0.400 -4.288 5.893 1.00 0.00 N ATOM 65 CA ALA A 5 0.446 -3.162 6.285 1.00 0.00 C ATOM 66 C ALA A 5 0.086 -2.606 7.631 1.00 0.00 C ATOM 67 O ALA A 5 -0.913 -1.893 7.749 1.00 0.00 O ATOM 68 CB ALA A 5 0.331 -2.051 5.264 1.00 0.00 C ATOM 0 H ALA A 5 -1.365 -4.242 6.221 1.00 0.00 H new ATOM 0 HA ALA A 5 1.466 -3.543 6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 5 0.964 -1.215 5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 5 0.651 -2.418 4.289 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.705 -1.718 5.204 1.00 0.00 H new ATOM 74 N LYS A 6 0.927 -2.815 8.634 1.00 0.00 N ATOM 75 CA LYS A 6 0.598 -2.211 9.909 1.00 0.00 C ATOM 76 C LYS A 6 1.495 -1.035 10.242 1.00 0.00 C ATOM 77 O LYS A 6 2.494 -1.155 10.952 1.00 0.00 O ATOM 78 CB LYS A 6 0.747 -3.274 10.998 1.00 0.00 C ATOM 79 CG LYS A 6 -0.220 -3.120 12.153 1.00 0.00 C ATOM 80 CD LYS A 6 -0.776 -4.467 12.588 1.00 0.00 C ATOM 81 CE LYS A 6 -0.531 -4.735 14.067 1.00 0.00 C ATOM 82 NZ LYS A 6 -1.558 -4.090 14.930 1.00 0.00 N ATOM 0 H LYS A 6 1.787 -3.362 8.597 1.00 0.00 H new ATOM 0 HA LYS A 6 -0.424 -1.836 9.851 1.00 0.00 H new ATOM 0 HB2 LYS A 6 0.607 -4.258 10.551 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.766 -3.241 11.385 1.00 0.00 H new ATOM 0 HG2 LYS A 6 0.286 -2.644 12.993 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.039 -2.463 11.860 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -1.847 -4.499 12.386 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.316 -5.258 11.995 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.532 -5.810 14.245 1.00 0.00 H new ATOM 0 HE3 LYS A 6 0.457 -4.367 14.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -1.090 -3.593 15.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.106 -3.409 14.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -2.196 -4.817 15.312 1.00 0.00 H new ATOM 96 N HIS A 7 0.994 0.122 9.854 1.00 0.00 N ATOM 97 CA HIS A 7 1.544 1.419 10.214 1.00 0.00 C ATOM 98 C HIS A 7 0.480 2.426 9.767 1.00 0.00 C ATOM 99 O HIS A 7 0.198 2.472 8.570 1.00 0.00 O ATOM 100 CB HIS A 7 2.910 1.669 9.588 1.00 0.00 C ATOM 101 CG HIS A 7 4.052 1.188 10.435 1.00 0.00 C ATOM 102 ND1 HIS A 7 3.945 0.970 11.794 1.00 0.00 N ATOM 103 CD2 HIS A 7 5.331 0.882 10.109 1.00 0.00 C ATOM 104 CE1 HIS A 7 5.106 0.552 12.265 1.00 0.00 C ATOM 105 NE2 HIS A 7 5.963 0.489 11.264 1.00 0.00 N ATOM 0 H HIS A 7 0.167 0.190 9.261 1.00 0.00 H new ATOM 0 HA HIS A 7 1.742 1.498 11.283 1.00 0.00 H new ATOM 0 HB2 HIS A 7 2.953 1.173 8.618 1.00 0.00 H new ATOM 0 HB3 HIS A 7 3.028 2.737 9.406 1.00 0.00 H new ATOM 0 HD2 HIS A 7 5.772 0.937 9.125 1.00 0.00 H new ATOM 0 HE1 HIS A 7 5.318 0.304 13.295 1.00 0.00 H new ATOM 0 HE2 HIS A 7 6.937 0.196 11.336 1.00 0.00 H new ATOM 114 N ASP A 8 -0.097 3.261 10.621 1.00 0.00 N ATOM 115 CA ASP A 8 -1.069 4.227 10.096 1.00 0.00 C ATOM 116 C ASP A 8 -0.346 5.120 9.081 1.00 0.00 C ATOM 117 O ASP A 8 0.865 5.311 9.183 1.00 0.00 O ATOM 118 CB ASP A 8 -1.689 5.088 11.196 1.00 0.00 C ATOM 119 CG ASP A 8 -0.644 5.724 12.091 1.00 0.00 C ATOM 120 OD1 ASP A 8 -0.082 5.008 12.946 1.00 0.00 O ATOM 121 OD2 ASP A 8 -0.387 6.935 11.935 1.00 0.00 O ATOM 0 H ASP A 8 0.073 3.297 11.626 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.887 3.679 9.629 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.298 5.869 10.742 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -2.357 4.474 11.801 1.00 0.00 H new ATOM 126 N PHE A 9 -1.085 5.713 8.141 1.00 0.00 N ATOM 127 CA PHE A 9 -0.460 6.616 7.170 1.00 0.00 C ATOM 128 C PHE A 9 -1.456 7.448 6.375 1.00 0.00 C ATOM 129 O PHE A 9 -2.605 7.068 6.153 1.00 0.00 O ATOM 130 CB PHE A 9 0.428 5.885 6.155 1.00 0.00 C ATOM 131 CG PHE A 9 1.366 6.817 5.435 1.00 0.00 C ATOM 132 CD1 PHE A 9 2.320 7.533 6.140 1.00 0.00 C ATOM 133 CD2 PHE A 9 1.284 6.988 4.062 1.00 0.00 C ATOM 134 CE1 PHE A 9 3.176 8.402 5.490 1.00 0.00 C ATOM 135 CE2 PHE A 9 2.142 7.855 3.406 1.00 0.00 C ATOM 136 CZ PHE A 9 3.087 8.563 4.122 1.00 0.00 C ATOM 0 H PHE A 9 -2.092 5.590 8.031 1.00 0.00 H new ATOM 0 HA PHE A 9 0.143 7.272 7.797 1.00 0.00 H new ATOM 0 HB2 PHE A 9 1.007 5.118 6.669 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.202 5.374 5.427 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.396 7.411 7.210 1.00 0.00 H new ATOM 0 HD2 PHE A 9 0.544 6.440 3.498 1.00 0.00 H new ATOM 0 HE1 PHE A 9 3.914 8.955 6.052 1.00 0.00 H new ATOM 0 HE2 PHE A 9 2.072 7.977 2.335 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.755 9.241 3.613 1.00 0.00 H new ATOM 146 N SER A 10 -0.897 8.524 5.836 1.00 0.00 N ATOM 147 CA SER A 10 -1.648 9.399 4.954 1.00 0.00 C ATOM 148 C SER A 10 -0.756 9.926 3.840 1.00 0.00 C ATOM 149 O SER A 10 0.002 10.874 4.042 1.00 0.00 O ATOM 150 CB SER A 10 -2.263 10.565 5.729 1.00 0.00 C ATOM 151 OG SER A 10 -3.459 10.169 6.380 1.00 0.00 O ATOM 0 H SER A 10 0.070 8.808 5.995 1.00 0.00 H new ATOM 0 HA SER A 10 -2.457 8.816 4.514 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.549 10.933 6.465 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.472 11.389 5.047 1.00 0.00 H new ATOM 0 HG SER A 10 -3.511 9.191 6.401 1.00 0.00 H new ATOM 157 N ALA A 11 -0.914 9.334 2.651 1.00 0.00 N ATOM 158 CA ALA A 11 -0.158 9.695 1.446 1.00 0.00 C ATOM 159 C ALA A 11 0.533 11.049 1.518 1.00 0.00 C ATOM 160 O ALA A 11 0.051 12.010 2.119 1.00 0.00 O ATOM 161 CB ALA A 11 -1.115 9.710 0.265 1.00 0.00 C ATOM 0 H ALA A 11 -1.581 8.578 2.496 1.00 0.00 H new ATOM 0 HA ALA A 11 0.630 8.949 1.342 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.571 9.977 -0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.559 8.722 0.144 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.902 10.442 0.444 1.00 0.00 H new ATOM 167 N THR A 12 1.697 11.077 0.861 1.00 0.00 N ATOM 168 CA THR A 12 2.545 12.251 0.789 1.00 0.00 C ATOM 169 C THR A 12 2.445 12.898 -0.601 1.00 0.00 C ATOM 170 O THR A 12 2.865 14.036 -0.810 1.00 0.00 O ATOM 171 CB THR A 12 4.001 11.861 1.142 1.00 0.00 C ATOM 172 OG1 THR A 12 4.328 12.298 2.449 1.00 0.00 O ATOM 173 CG2 THR A 12 5.049 12.424 0.202 1.00 0.00 C ATOM 0 H THR A 12 2.073 10.271 0.361 1.00 0.00 H new ATOM 0 HA THR A 12 2.209 12.992 1.514 1.00 0.00 H new ATOM 0 HB THR A 12 4.022 10.775 1.055 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.251 12.043 2.658 1.00 0.00 H new ATOM 0 HG21 THR A 12 6.039 12.100 0.525 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.861 12.064 -0.810 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.001 13.513 0.214 1.00 0.00 H new ATOM 181 N ALA A 13 1.840 12.160 -1.524 1.00 0.00 N ATOM 182 CA ALA A 13 1.614 12.638 -2.884 1.00 0.00 C ATOM 183 C ALA A 13 0.154 12.373 -3.219 1.00 0.00 C ATOM 184 O ALA A 13 -0.429 11.430 -2.686 1.00 0.00 O ATOM 185 CB ALA A 13 2.541 11.925 -3.859 1.00 0.00 C ATOM 0 H ALA A 13 1.493 11.216 -1.352 1.00 0.00 H new ATOM 0 HA ALA A 13 1.829 13.704 -2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 13 2.360 12.293 -4.869 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.578 12.118 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 13 2.350 10.852 -3.824 1.00 0.00 H new ATOM 191 N ASP A 14 -0.468 13.174 -4.081 1.00 0.00 N ATOM 192 CA ASP A 14 -1.867 12.986 -4.439 1.00 0.00 C ATOM 193 C ASP A 14 -2.122 11.623 -5.066 1.00 0.00 C ATOM 194 O ASP A 14 -3.167 11.012 -4.844 1.00 0.00 O ATOM 195 CB ASP A 14 -2.331 14.045 -5.440 1.00 0.00 C ATOM 196 CG ASP A 14 -1.314 14.297 -6.536 1.00 0.00 C ATOM 197 OD1 ASP A 14 -0.311 14.993 -6.266 1.00 0.00 O ATOM 198 OD2 ASP A 14 -1.521 13.802 -7.664 1.00 0.00 O ATOM 0 H ASP A 14 -0.020 13.964 -4.546 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.424 13.070 -3.506 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.272 13.728 -5.889 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -2.528 14.978 -4.911 1.00 0.00 H new ATOM 203 N ASP A 15 -1.128 11.117 -5.789 1.00 0.00 N ATOM 204 CA ASP A 15 -1.235 9.801 -6.412 1.00 0.00 C ATOM 205 C ASP A 15 -0.782 8.702 -5.451 1.00 0.00 C ATOM 206 O ASP A 15 -0.485 7.588 -5.880 1.00 0.00 O ATOM 207 CB ASP A 15 -0.422 9.737 -7.713 1.00 0.00 C ATOM 208 CG ASP A 15 0.845 10.572 -7.662 1.00 0.00 C ATOM 209 OD1 ASP A 15 0.784 11.764 -8.033 1.00 0.00 O ATOM 210 OD2 ASP A 15 1.896 10.035 -7.255 1.00 0.00 O ATOM 0 H ASP A 15 -0.243 11.595 -5.958 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.285 9.637 -6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.159 8.700 -7.920 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.043 10.079 -8.541 1.00 0.00 H new ATOM 215 N GLU A 16 -0.788 8.989 -4.151 1.00 0.00 N ATOM 216 CA GLU A 16 -0.434 7.995 -3.151 1.00 0.00 C ATOM 217 C GLU A 16 -1.711 7.526 -2.466 1.00 0.00 C ATOM 218 O GLU A 16 -2.803 7.950 -2.847 1.00 0.00 O ATOM 219 CB GLU A 16 0.539 8.574 -2.120 1.00 0.00 C ATOM 220 CG GLU A 16 1.942 8.005 -2.207 1.00 0.00 C ATOM 221 CD GLU A 16 2.791 8.697 -3.255 1.00 0.00 C ATOM 222 OE1 GLU A 16 2.279 8.940 -4.367 1.00 0.00 O ATOM 223 OE2 GLU A 16 3.966 8.998 -2.960 1.00 0.00 O ATOM 0 H GLU A 16 -1.035 9.902 -3.770 1.00 0.00 H new ATOM 0 HA GLU A 16 0.063 7.155 -3.636 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.588 9.655 -2.249 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.145 8.390 -1.121 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.427 8.095 -1.235 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.884 6.941 -2.437 1.00 0.00 H new ATOM 230 N LEU A 17 -1.603 6.576 -1.550 1.00 0.00 N ATOM 231 CA LEU A 17 -2.797 6.021 -0.921 1.00 0.00 C ATOM 232 C LEU A 17 -2.640 5.858 0.591 1.00 0.00 C ATOM 233 O LEU A 17 -1.745 5.154 1.058 1.00 0.00 O ATOM 234 CB LEU A 17 -3.072 4.636 -1.514 1.00 0.00 C ATOM 235 CG LEU A 17 -4.543 4.343 -1.822 1.00 0.00 C ATOM 236 CD1 LEU A 17 -5.395 4.489 -0.570 1.00 0.00 C ATOM 237 CD2 LEU A 17 -5.054 5.260 -2.925 1.00 0.00 C ATOM 0 H LEU A 17 -0.721 6.178 -1.229 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.615 6.717 -1.109 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.496 4.530 -2.433 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.705 3.881 -0.819 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.618 3.313 -2.169 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.436 4.276 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.048 3.788 0.190 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.311 5.507 -0.190 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.101 5.036 -3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.961 6.298 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.467 5.103 -3.830 1.00 0.00 H new ATOM 249 N SER A 18 -3.563 6.446 1.347 1.00 0.00 N ATOM 250 CA SER A 18 -3.550 6.325 2.801 1.00 0.00 C ATOM 251 C SER A 18 -4.271 5.057 3.245 1.00 0.00 C ATOM 252 O SER A 18 -4.990 4.427 2.469 1.00 0.00 O ATOM 253 CB SER A 18 -4.210 7.539 3.457 1.00 0.00 C ATOM 254 OG SER A 18 -3.813 8.741 2.820 1.00 0.00 O ATOM 0 H SER A 18 -4.328 7.010 0.977 1.00 0.00 H new ATOM 0 HA SER A 18 -2.508 6.274 3.116 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.294 7.438 3.408 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.941 7.577 4.513 1.00 0.00 H new ATOM 0 HG SER A 18 -4.250 9.502 3.256 1.00 0.00 H new ATOM 260 N PHE A 19 -4.023 4.670 4.497 1.00 0.00 N ATOM 261 CA PHE A 19 -4.620 3.470 5.069 1.00 0.00 C ATOM 262 C PHE A 19 -4.388 3.393 6.574 1.00 0.00 C ATOM 263 O PHE A 19 -3.827 4.315 7.176 1.00 0.00 O ATOM 264 CB PHE A 19 -4.078 2.213 4.389 1.00 0.00 C ATOM 265 CG PHE A 19 -2.582 2.083 4.466 1.00 0.00 C ATOM 266 CD1 PHE A 19 -1.944 1.911 5.685 1.00 0.00 C ATOM 267 CD2 PHE A 19 -1.815 2.126 3.316 1.00 0.00 C ATOM 268 CE1 PHE A 19 -0.570 1.784 5.750 1.00 0.00 C ATOM 269 CE2 PHE A 19 -0.441 2.000 3.376 1.00 0.00 C ATOM 270 CZ PHE A 19 0.183 1.829 4.595 1.00 0.00 C ATOM 0 H PHE A 19 -3.409 5.176 5.135 1.00 0.00 H new ATOM 0 HA PHE A 19 -5.694 3.528 4.894 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -4.534 1.336 4.848 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -4.380 2.218 3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -2.527 1.876 6.593 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -2.297 2.260 2.359 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.085 1.649 6.706 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.145 2.035 2.469 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.257 1.731 4.645 1.00 0.00 H new ATOM 280 N ARG A 20 -4.871 2.318 7.186 1.00 0.00 N ATOM 281 CA ARG A 20 -4.741 2.136 8.625 1.00 0.00 C ATOM 282 C ARG A 20 -3.857 0.934 8.944 1.00 0.00 C ATOM 283 O ARG A 20 -3.605 0.104 8.067 1.00 0.00 O ATOM 284 CB ARG A 20 -6.118 1.971 9.273 1.00 0.00 C ATOM 285 CG ARG A 20 -6.363 2.949 10.410 1.00 0.00 C ATOM 286 CD ARG A 20 -7.618 2.600 11.192 1.00 0.00 C ATOM 287 NE ARG A 20 -8.723 3.506 10.881 1.00 0.00 N ATOM 288 CZ ARG A 20 -9.618 3.926 11.774 1.00 0.00 C ATOM 289 NH1 ARG A 20 -9.557 3.517 13.037 1.00 0.00 N ATOM 290 NH2 ARG A 20 -10.581 4.756 11.402 1.00 0.00 N ATOM 0 H ARG A 20 -5.356 1.559 6.707 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.267 3.027 9.036 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.889 2.105 8.514 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.216 0.953 9.650 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.504 2.949 11.081 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.453 3.958 10.009 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.914 1.576 10.966 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.404 2.642 12.260 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.814 3.837 9.921 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.820 2.876 13.330 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.247 3.844 13.713 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.636 5.072 10.434 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.267 5.079 12.084 1.00 0.00 H new ATOM 304 N LYS A 21 -3.433 0.790 10.195 1.00 0.00 N ATOM 305 CA LYS A 21 -2.639 -0.368 10.581 1.00 0.00 C ATOM 306 C LYS A 21 -3.479 -1.635 10.390 1.00 0.00 C ATOM 307 O LYS A 21 -4.650 -1.676 10.768 1.00 0.00 O ATOM 308 CB LYS A 21 -2.227 -0.263 12.055 1.00 0.00 C ATOM 309 CG LYS A 21 -0.760 0.094 12.261 1.00 0.00 C ATOM 310 CD LYS A 21 -0.464 0.493 13.703 1.00 0.00 C ATOM 311 CE LYS A 21 -1.107 -0.459 14.700 1.00 0.00 C ATOM 312 NZ LYS A 21 -0.198 -0.777 15.837 1.00 0.00 N ATOM 0 H LYS A 21 -3.623 1.451 10.948 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.743 -0.408 9.961 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.846 0.490 12.543 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.433 -1.213 12.548 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.138 -0.758 11.986 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.490 0.914 11.596 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.614 0.509 13.861 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.828 1.505 13.881 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.026 -0.015 15.084 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.387 -1.381 14.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -0.676 -1.428 16.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.668 -1.224 15.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.049 0.099 16.339 1.00 0.00 H new ATOM 326 N THR A 22 -2.872 -2.665 9.805 1.00 0.00 N ATOM 327 CA THR A 22 -3.517 -3.959 9.595 1.00 0.00 C ATOM 328 C THR A 22 -4.488 -4.030 8.424 1.00 0.00 C ATOM 329 O THR A 22 -5.145 -5.059 8.257 1.00 0.00 O ATOM 330 CB THR A 22 -4.231 -4.429 10.865 1.00 0.00 C ATOM 331 OG1 THR A 22 -3.763 -3.726 12.004 1.00 0.00 O ATOM 332 CG2 THR A 22 -4.052 -5.912 11.120 1.00 0.00 C ATOM 0 H THR A 22 -1.913 -2.625 9.461 1.00 0.00 H new ATOM 0 HA THR A 22 -2.691 -4.623 9.340 1.00 0.00 H new ATOM 0 HB THR A 22 -5.289 -4.226 10.701 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.231 -2.868 12.074 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.579 -6.190 12.033 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.457 -6.477 10.280 1.00 0.00 H new ATOM 0 HG23 THR A 22 -2.991 -6.137 11.231 1.00 0.00 H new ATOM 340 N GLN A 23 -4.609 -2.992 7.598 1.00 0.00 N ATOM 341 CA GLN A 23 -5.533 -3.113 6.482 1.00 0.00 C ATOM 342 C GLN A 23 -4.911 -3.912 5.344 1.00 0.00 C ATOM 343 O GLN A 23 -3.703 -3.844 5.116 1.00 0.00 O ATOM 344 CB GLN A 23 -6.059 -1.785 5.932 1.00 0.00 C ATOM 345 CG GLN A 23 -7.295 -1.935 5.060 1.00 0.00 C ATOM 346 CD GLN A 23 -8.377 -0.930 5.403 1.00 0.00 C ATOM 347 OE1 GLN A 23 -8.408 -0.386 6.508 1.00 0.00 O ATOM 348 NE2 GLN A 23 -9.274 -0.679 4.456 1.00 0.00 N ATOM 0 H GLN A 23 -4.108 -2.107 7.674 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.393 -3.637 6.898 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.291 -1.122 6.766 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.271 -1.304 5.352 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.013 -1.817 4.014 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.693 -2.944 5.171 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.210 -1.152 3.555 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -10.026 -0.013 4.630 1.00 0.00 H new ATOM 357 N ILE A 24 -5.740 -4.665 4.631 1.00 0.00 N ATOM 358 CA ILE A 24 -5.255 -5.468 3.518 1.00 0.00 C ATOM 359 C ILE A 24 -5.206 -4.622 2.257 1.00 0.00 C ATOM 360 O ILE A 24 -6.230 -4.124 1.790 1.00 0.00 O ATOM 361 CB ILE A 24 -6.137 -6.711 3.270 1.00 0.00 C ATOM 362 CG1 ILE A 24 -7.592 -6.306 3.014 1.00 0.00 C ATOM 363 CG2 ILE A 24 -6.051 -7.666 4.452 1.00 0.00 C ATOM 364 CD1 ILE A 24 -8.498 -7.479 2.709 1.00 0.00 C ATOM 0 H ILE A 24 -6.743 -4.736 4.802 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.255 -5.816 3.777 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.765 -7.221 2.381 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.974 -5.779 3.889 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.625 -5.605 2.180 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.678 -8.537 4.262 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.018 -7.985 4.587 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.396 -7.160 5.354 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.513 -7.120 2.538 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.140 -7.993 1.817 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -8.495 -8.170 3.552 1.00 0.00 H new ATOM 376 N LEU A 25 -4.006 -4.429 1.724 1.00 0.00 N ATOM 377 CA LEU A 25 -3.841 -3.606 0.539 1.00 0.00 C ATOM 378 C LEU A 25 -3.570 -4.433 -0.709 1.00 0.00 C ATOM 379 O LEU A 25 -2.898 -5.462 -0.650 1.00 0.00 O ATOM 380 CB LEU A 25 -2.729 -2.584 0.743 1.00 0.00 C ATOM 381 CG LEU A 25 -2.935 -1.653 1.935 1.00 0.00 C ATOM 382 CD1 LEU A 25 -1.649 -0.913 2.257 1.00 0.00 C ATOM 383 CD2 LEU A 25 -4.066 -0.676 1.656 1.00 0.00 C ATOM 0 H LEU A 25 -3.142 -4.828 2.091 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.785 -3.083 0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.785 -3.114 0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.636 -1.981 -0.161 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.210 -2.253 2.803 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.812 -0.253 3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.866 -1.632 2.500 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.344 -0.322 1.394 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.200 -0.019 2.516 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.822 -0.079 0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.988 -1.229 1.474 1.00 0.00 H new ATOM 395 N LYS A 26 -4.119 -3.991 -1.830 1.00 0.00 N ATOM 396 CA LYS A 26 -3.970 -4.686 -3.099 1.00 0.00 C ATOM 397 C LYS A 26 -2.688 -4.272 -3.813 1.00 0.00 C ATOM 398 O LYS A 26 -2.647 -3.247 -4.485 1.00 0.00 O ATOM 399 CB LYS A 26 -5.143 -4.291 -3.990 1.00 0.00 C ATOM 400 CG LYS A 26 -6.443 -4.974 -3.611 1.00 0.00 C ATOM 401 CD LYS A 26 -6.479 -6.409 -4.112 1.00 0.00 C ATOM 402 CE LYS A 26 -7.781 -6.714 -4.833 1.00 0.00 C ATOM 403 NZ LYS A 26 -8.183 -8.137 -4.669 1.00 0.00 N ATOM 0 H LYS A 26 -4.680 -3.141 -1.886 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.937 -5.759 -2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.280 -3.211 -3.940 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -4.902 -4.534 -5.025 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -6.560 -4.962 -2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.283 -4.419 -4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.640 -6.582 -4.786 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -6.359 -7.092 -3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -8.570 -6.067 -4.449 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.671 -6.487 -5.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.076 -8.306 -5.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.442 -8.754 -5.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -8.313 -8.347 -3.659 1.00 0.00 H new ATOM 417 N ILE A 27 -1.658 -5.095 -3.687 1.00 0.00 N ATOM 418 CA ILE A 27 -0.394 -4.797 -4.344 1.00 0.00 C ATOM 419 C ILE A 27 -0.489 -5.156 -5.822 1.00 0.00 C ATOM 420 O ILE A 27 -1.019 -6.211 -6.170 1.00 0.00 O ATOM 421 CB ILE A 27 0.784 -5.566 -3.702 1.00 0.00 C ATOM 422 CG1 ILE A 27 0.927 -5.192 -2.225 1.00 0.00 C ATOM 423 CG2 ILE A 27 2.083 -5.290 -4.451 1.00 0.00 C ATOM 424 CD1 ILE A 27 1.369 -3.761 -2.000 1.00 0.00 C ATOM 0 H ILE A 27 -1.670 -5.960 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.202 -3.731 -4.227 1.00 0.00 H new ATOM 0 HB ILE A 27 0.572 -6.633 -3.770 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.028 -5.351 -1.725 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.647 -5.863 -1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 27 2.898 -5.841 -3.982 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.980 -5.608 -5.488 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.302 -4.223 -4.419 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.449 -3.569 -0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.339 -3.602 -2.470 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.638 -3.081 -2.437 1.00 0.00 H new ATOM 436 N LEU A 28 -0.067 -4.245 -6.697 1.00 0.00 N ATOM 437 CA LEU A 28 -0.192 -4.502 -8.126 1.00 0.00 C ATOM 438 C LEU A 28 0.906 -3.861 -8.966 1.00 0.00 C ATOM 439 O LEU A 28 1.163 -4.324 -10.077 1.00 0.00 O ATOM 440 CB LEU A 28 -1.559 -4.053 -8.632 1.00 0.00 C ATOM 441 CG LEU A 28 -1.845 -2.565 -8.484 1.00 0.00 C ATOM 442 CD1 LEU A 28 -2.829 -2.111 -9.545 1.00 0.00 C ATOM 443 CD2 LEU A 28 -2.381 -2.268 -7.098 1.00 0.00 C ATOM 0 H LEU A 28 0.352 -3.348 -6.450 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.083 -5.580 -8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.645 -4.321 -9.685 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.328 -4.610 -8.097 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.914 -2.014 -8.619 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.025 -1.045 -9.428 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.409 -2.296 -10.534 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.761 -2.665 -9.437 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.581 -1.200 -7.006 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.304 -2.825 -6.938 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.644 -2.564 -6.352 1.00 0.00 H new ATOM 455 N ASN A 29 1.610 -2.854 -8.446 1.00 0.00 N ATOM 456 CA ASN A 29 2.708 -2.304 -9.225 1.00 0.00 C ATOM 457 C ASN A 29 3.817 -1.786 -8.329 1.00 0.00 C ATOM 458 O ASN A 29 3.767 -0.708 -7.740 1.00 0.00 O ATOM 459 CB ASN A 29 2.148 -1.208 -10.152 1.00 0.00 C ATOM 460 CG ASN A 29 3.115 -0.075 -10.439 1.00 0.00 C ATOM 461 OD1 ASN A 29 2.847 1.083 -10.123 1.00 0.00 O ATOM 462 ND2 ASN A 29 4.237 -0.392 -11.053 1.00 0.00 N ATOM 0 H ASN A 29 1.449 -2.424 -7.535 1.00 0.00 H new ATOM 0 HA ASN A 29 3.158 -3.088 -9.835 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.852 -1.665 -11.096 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.246 -0.794 -9.701 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.916 0.334 -11.281 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.426 -1.363 -11.300 1.00 0.00 H new ATOM 469 N MET A 30 4.861 -2.597 -8.361 1.00 0.00 N ATOM 470 CA MET A 30 6.118 -2.397 -7.699 1.00 0.00 C ATOM 471 C MET A 30 7.267 -2.562 -8.669 1.00 0.00 C ATOM 472 O MET A 30 7.395 -3.633 -9.257 1.00 0.00 O ATOM 473 CB MET A 30 6.274 -3.387 -6.543 1.00 0.00 C ATOM 474 CG MET A 30 6.159 -4.845 -6.947 1.00 0.00 C ATOM 475 SD MET A 30 6.166 -5.944 -5.517 1.00 0.00 S ATOM 476 CE MET A 30 5.946 -7.537 -6.300 1.00 0.00 C ATOM 0 H MET A 30 4.841 -3.469 -8.889 1.00 0.00 H new ATOM 0 HA MET A 30 6.135 -1.381 -7.305 1.00 0.00 H new ATOM 0 HB2 MET A 30 7.245 -3.228 -6.073 1.00 0.00 H new ATOM 0 HB3 MET A 30 5.516 -3.170 -5.790 1.00 0.00 H new ATOM 0 HG2 MET A 30 5.240 -4.993 -7.514 1.00 0.00 H new ATOM 0 HG3 MET A 30 6.986 -5.105 -7.608 1.00 0.00 H new ATOM 0 HE1 MET A 30 5.930 -8.317 -5.539 1.00 0.00 H new ATOM 0 HE2 MET A 30 5.004 -7.546 -6.848 1.00 0.00 H new ATOM 0 HE3 MET A 30 6.769 -7.720 -6.990 1.00 0.00 H new ATOM 486 N GLU A 31 8.192 -1.625 -8.694 1.00 0.00 N ATOM 487 CA GLU A 31 9.431 -1.824 -9.459 1.00 0.00 C ATOM 488 C GLU A 31 10.261 -0.588 -9.794 1.00 0.00 C ATOM 489 O GLU A 31 11.463 -0.537 -9.531 1.00 0.00 O ATOM 490 CB GLU A 31 9.316 -2.774 -10.663 1.00 0.00 C ATOM 491 CG GLU A 31 8.139 -2.469 -11.580 1.00 0.00 C ATOM 492 CD GLU A 31 8.429 -2.797 -13.031 1.00 0.00 C ATOM 493 OE1 GLU A 31 9.613 -2.740 -13.428 1.00 0.00 O ATOM 494 OE2 GLU A 31 7.474 -3.114 -13.772 1.00 0.00 O ATOM 0 H GLU A 31 8.124 -0.731 -8.208 1.00 0.00 H new ATOM 0 HA GLU A 31 10.020 -2.340 -8.700 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.238 -2.723 -11.242 1.00 0.00 H new ATOM 0 HB3 GLU A 31 9.224 -3.797 -10.298 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.269 -3.037 -11.250 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.881 -1.413 -11.495 1.00 0.00 H new ATOM 501 N ASP A 32 9.590 0.414 -10.343 1.00 0.00 N ATOM 502 CA ASP A 32 10.262 1.662 -10.685 1.00 0.00 C ATOM 503 C ASP A 32 10.512 2.470 -9.425 1.00 0.00 C ATOM 504 O ASP A 32 11.141 3.527 -9.454 1.00 0.00 O ATOM 505 CB ASP A 32 9.444 2.504 -11.669 1.00 0.00 C ATOM 506 CG ASP A 32 10.145 2.682 -13.002 1.00 0.00 C ATOM 507 OD1 ASP A 32 11.184 3.373 -13.038 1.00 0.00 O ATOM 508 OD2 ASP A 32 9.657 2.128 -14.009 1.00 0.00 O ATOM 0 H ASP A 32 8.594 0.390 -10.560 1.00 0.00 H new ATOM 0 HA ASP A 32 11.206 1.405 -11.165 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.476 2.029 -11.831 1.00 0.00 H new ATOM 0 HB3 ASP A 32 9.250 3.483 -11.231 1.00 0.00 H new ATOM 513 N ASP A 33 9.930 1.994 -8.335 1.00 0.00 N ATOM 514 CA ASP A 33 10.032 2.663 -7.062 1.00 0.00 C ATOM 515 C ASP A 33 10.180 1.633 -5.956 1.00 0.00 C ATOM 516 O ASP A 33 9.194 1.249 -5.325 1.00 0.00 O ATOM 517 CB ASP A 33 8.792 3.531 -6.818 1.00 0.00 C ATOM 518 CG ASP A 33 9.144 4.976 -6.521 1.00 0.00 C ATOM 519 OD1 ASP A 33 9.360 5.744 -7.482 1.00 0.00 O ATOM 520 OD2 ASP A 33 9.202 5.340 -5.328 1.00 0.00 O ATOM 0 H ASP A 33 9.378 1.137 -8.315 1.00 0.00 H new ATOM 0 HA ASP A 33 10.910 3.309 -7.067 1.00 0.00 H new ATOM 0 HB2 ASP A 33 8.146 3.491 -7.695 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.223 3.120 -5.984 1.00 0.00 H new ATOM 525 N SER A 34 11.402 1.143 -5.753 1.00 0.00 N ATOM 526 CA SER A 34 11.665 0.106 -4.759 1.00 0.00 C ATOM 527 C SER A 34 11.311 0.558 -3.347 1.00 0.00 C ATOM 528 O SER A 34 11.939 0.099 -2.391 1.00 0.00 O ATOM 529 CB SER A 34 13.138 -0.305 -4.820 1.00 0.00 C ATOM 530 OG SER A 34 13.289 -1.564 -5.454 1.00 0.00 O ATOM 0 H SER A 34 12.228 1.450 -6.267 1.00 0.00 H new ATOM 0 HA SER A 34 11.029 -0.747 -4.997 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.708 0.450 -5.362 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.549 -0.350 -3.811 1.00 0.00 H new ATOM 0 HG SER A 34 14.239 -1.804 -5.482 1.00 0.00 H new ATOM 536 N ASN A 35 10.406 1.513 -3.188 1.00 0.00 N ATOM 537 CA ASN A 35 10.119 2.021 -1.845 1.00 0.00 C ATOM 538 C ASN A 35 8.647 2.360 -1.637 1.00 0.00 C ATOM 539 O ASN A 35 8.129 2.267 -0.527 1.00 0.00 O ATOM 540 CB ASN A 35 10.982 3.260 -1.577 1.00 0.00 C ATOM 541 CG ASN A 35 11.836 3.121 -0.332 1.00 0.00 C ATOM 542 OD1 ASN A 35 11.889 4.026 0.501 1.00 0.00 O ATOM 543 ND2 ASN A 35 12.513 1.987 -0.199 1.00 0.00 N ATOM 0 H ASN A 35 9.871 1.943 -3.942 1.00 0.00 H new ATOM 0 HA ASN A 35 10.360 1.226 -1.140 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.627 3.441 -2.437 1.00 0.00 H new ATOM 0 HB3 ASN A 35 10.336 4.132 -1.474 1.00 0.00 H new ATOM 0 HD21 ASN A 35 13.106 1.840 0.618 1.00 0.00 H new ATOM 0 HD22 ASN A 35 12.440 1.263 -0.914 1.00 0.00 H new ATOM 550 N TRP A 36 7.978 2.749 -2.701 1.00 0.00 N ATOM 551 CA TRP A 36 6.567 3.077 -2.627 1.00 0.00 C ATOM 552 C TRP A 36 5.817 2.236 -3.643 1.00 0.00 C ATOM 553 O TRP A 36 6.143 2.249 -4.829 1.00 0.00 O ATOM 554 CB TRP A 36 6.364 4.576 -2.863 1.00 0.00 C ATOM 555 CG TRP A 36 7.178 5.403 -1.915 1.00 0.00 C ATOM 556 CD1 TRP A 36 8.528 5.592 -1.959 1.00 0.00 C ATOM 557 CD2 TRP A 36 6.707 6.127 -0.768 1.00 0.00 C ATOM 558 NE1 TRP A 36 8.929 6.383 -0.910 1.00 0.00 N ATOM 559 CE2 TRP A 36 7.831 6.726 -0.167 1.00 0.00 C ATOM 560 CE3 TRP A 36 5.449 6.332 -0.192 1.00 0.00 C ATOM 561 CZ2 TRP A 36 7.733 7.508 0.982 1.00 0.00 C ATOM 562 CZ3 TRP A 36 5.357 7.112 0.951 1.00 0.00 C ATOM 563 CH2 TRP A 36 6.493 7.689 1.525 1.00 0.00 C ATOM 0 H TRP A 36 8.388 2.847 -3.630 1.00 0.00 H new ATOM 0 HA TRP A 36 6.175 2.852 -1.635 1.00 0.00 H new ATOM 0 HB2 TRP A 36 6.638 4.823 -3.889 1.00 0.00 H new ATOM 0 HB3 TRP A 36 5.309 4.823 -2.747 1.00 0.00 H new ATOM 0 HD1 TRP A 36 9.186 5.180 -2.710 1.00 0.00 H new ATOM 0 HE1 TRP A 36 9.889 6.669 -0.716 1.00 0.00 H new ATOM 0 HE3 TRP A 36 4.565 5.891 -0.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 8.608 7.956 1.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 4.391 7.276 1.405 1.00 0.00 H new ATOM 0 HH2 TRP A 36 6.388 8.290 2.416 1.00 0.00 H new ATOM 574 N TYR A 37 4.879 1.422 -3.165 1.00 0.00 N ATOM 575 CA TYR A 37 4.168 0.504 -4.046 1.00 0.00 C ATOM 576 C TYR A 37 2.863 1.082 -4.544 1.00 0.00 C ATOM 577 O TYR A 37 2.276 1.952 -3.909 1.00 0.00 O ATOM 578 CB TYR A 37 3.887 -0.815 -3.322 1.00 0.00 C ATOM 579 CG TYR A 37 5.126 -1.596 -2.946 1.00 0.00 C ATOM 580 CD1 TYR A 37 6.146 -1.805 -3.865 1.00 0.00 C ATOM 581 CD2 TYR A 37 5.270 -2.131 -1.673 1.00 0.00 C ATOM 582 CE1 TYR A 37 7.274 -2.527 -3.526 1.00 0.00 C ATOM 583 CE2 TYR A 37 6.396 -2.850 -1.324 1.00 0.00 C ATOM 584 CZ TYR A 37 7.394 -3.047 -2.254 1.00 0.00 C ATOM 585 OH TYR A 37 8.515 -3.768 -1.912 1.00 0.00 O ATOM 0 H TYR A 37 4.597 1.380 -2.186 1.00 0.00 H new ATOM 0 HA TYR A 37 4.812 0.331 -4.908 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.316 -0.605 -2.418 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.258 -1.438 -3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.056 -1.397 -4.861 1.00 0.00 H new ATOM 0 HD2 TYR A 37 4.488 -1.982 -0.943 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.057 -2.683 -4.253 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.494 -3.256 -0.328 1.00 0.00 H new ATOM 0 HH TYR A 37 8.443 -4.062 -0.980 1.00 0.00 H new ATOM 595 N ARG A 38 2.464 0.653 -5.733 1.00 0.00 N ATOM 596 CA ARG A 38 1.229 1.113 -6.329 1.00 0.00 C ATOM 597 C ARG A 38 0.219 0.032 -5.995 1.00 0.00 C ATOM 598 O ARG A 38 0.191 -1.034 -6.617 1.00 0.00 O ATOM 599 CB ARG A 38 1.368 1.309 -7.837 1.00 0.00 C ATOM 600 CG ARG A 38 1.492 2.765 -8.257 1.00 0.00 C ATOM 601 CD ARG A 38 0.722 3.035 -9.538 1.00 0.00 C ATOM 602 NE ARG A 38 0.850 4.419 -9.979 1.00 0.00 N ATOM 603 CZ ARG A 38 0.240 4.909 -11.059 1.00 0.00 C ATOM 604 NH1 ARG A 38 -0.551 4.134 -11.791 1.00 0.00 N ATOM 605 NH2 ARG A 38 0.416 6.178 -11.404 1.00 0.00 N ATOM 0 H ARG A 38 2.984 -0.016 -6.302 1.00 0.00 H new ATOM 0 HA ARG A 38 0.928 2.088 -5.945 1.00 0.00 H new ATOM 0 HB2 ARG A 38 2.245 0.764 -8.186 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.502 0.870 -8.333 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.117 3.409 -7.462 1.00 0.00 H new ATOM 0 HG3 ARG A 38 2.543 3.016 -8.401 1.00 0.00 H new ATOM 0 HD2 ARG A 38 1.083 2.371 -10.323 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.331 2.801 -9.382 1.00 0.00 H new ATOM 0 HE ARG A 38 1.438 5.047 -9.431 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.695 3.159 -11.528 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.015 4.514 -12.616 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.019 6.780 -10.843 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -0.051 6.551 -12.230 1.00 0.00 H new ATOM 619 N ALA A 39 -0.590 0.305 -4.987 1.00 0.00 N ATOM 620 CA ALA A 39 -1.588 -0.646 -4.538 1.00 0.00 C ATOM 621 C ALA A 39 -2.982 -0.178 -4.910 1.00 0.00 C ATOM 622 O ALA A 39 -3.179 0.948 -5.366 1.00 0.00 O ATOM 623 CB ALA A 39 -1.468 -0.857 -3.039 1.00 0.00 C ATOM 0 H ALA A 39 -0.574 1.180 -4.463 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.413 -1.599 -5.037 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.222 -1.573 -2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.476 -1.242 -2.804 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -1.621 0.092 -2.525 1.00 0.00 H new ATOM 629 N GLU A 40 -3.942 -1.068 -4.725 1.00 0.00 N ATOM 630 CA GLU A 40 -5.317 -0.754 -5.058 1.00 0.00 C ATOM 631 C GLU A 40 -6.221 -0.844 -3.845 1.00 0.00 C ATOM 632 O GLU A 40 -5.975 -1.613 -2.915 1.00 0.00 O ATOM 633 CB GLU A 40 -5.841 -1.680 -6.159 1.00 0.00 C ATOM 634 CG GLU A 40 -5.917 -1.020 -7.524 1.00 0.00 C ATOM 635 CD GLU A 40 -7.080 -1.528 -8.355 1.00 0.00 C ATOM 636 OE1 GLU A 40 -8.203 -1.610 -7.817 1.00 0.00 O ATOM 637 OE2 GLU A 40 -6.866 -1.844 -9.545 1.00 0.00 O ATOM 0 H GLU A 40 -3.795 -2.005 -4.349 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.329 0.274 -5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.195 -2.556 -6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.833 -2.036 -5.881 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.010 0.059 -7.397 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.986 -1.198 -8.062 1.00 0.00 H new ATOM 644 N LEU A 41 -7.232 0.001 -3.841 1.00 0.00 N ATOM 645 CA LEU A 41 -8.172 0.070 -2.740 1.00 0.00 C ATOM 646 C LEU A 41 -9.456 0.713 -3.234 1.00 0.00 C ATOM 647 O LEU A 41 -9.424 1.767 -3.869 1.00 0.00 O ATOM 648 CB LEU A 41 -7.571 0.879 -1.593 1.00 0.00 C ATOM 649 CG LEU A 41 -8.514 1.150 -0.422 1.00 0.00 C ATOM 650 CD1 LEU A 41 -8.595 -0.065 0.492 1.00 0.00 C ATOM 651 CD2 LEU A 41 -8.052 2.376 0.349 1.00 0.00 C ATOM 0 H LEU A 41 -7.425 0.657 -4.598 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.390 -0.932 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.695 0.351 -1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.223 1.834 -1.987 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.512 1.344 -0.814 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -9.271 0.147 1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.968 -0.920 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.603 -0.293 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.731 2.560 1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.046 2.207 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.047 3.242 -0.313 1.00 0.00 H new ATOM 663 N ASP A 42 -10.580 0.060 -2.970 1.00 0.00 N ATOM 664 CA ASP A 42 -11.868 0.559 -3.426 1.00 0.00 C ATOM 665 C ASP A 42 -11.889 0.587 -4.953 1.00 0.00 C ATOM 666 O ASP A 42 -12.389 -0.339 -5.594 1.00 0.00 O ATOM 667 CB ASP A 42 -12.138 1.955 -2.858 1.00 0.00 C ATOM 668 CG ASP A 42 -12.783 1.904 -1.488 1.00 0.00 C ATOM 669 OD1 ASP A 42 -12.212 1.255 -0.586 1.00 0.00 O ATOM 670 OD2 ASP A 42 -13.860 2.512 -1.317 1.00 0.00 O ATOM 0 H ASP A 42 -10.625 -0.813 -2.444 1.00 0.00 H new ATOM 0 HA ASP A 42 -12.655 -0.105 -3.069 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -11.200 2.507 -2.795 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -12.786 2.504 -3.542 1.00 0.00 H new ATOM 675 N GLY A 43 -11.312 1.637 -5.530 1.00 0.00 N ATOM 676 CA GLY A 43 -11.250 1.757 -6.975 1.00 0.00 C ATOM 677 C GLY A 43 -10.155 2.707 -7.424 1.00 0.00 C ATOM 678 O GLY A 43 -10.359 3.501 -8.342 1.00 0.00 O ATOM 0 H GLY A 43 -10.885 2.410 -5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.078 0.774 -7.413 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.211 2.109 -7.350 1.00 0.00 H new ATOM 682 N LYS A 44 -9.027 2.701 -6.715 1.00 0.00 N ATOM 683 CA LYS A 44 -7.935 3.624 -7.008 1.00 0.00 C ATOM 684 C LYS A 44 -6.575 2.937 -6.948 1.00 0.00 C ATOM 685 O LYS A 44 -6.328 2.100 -6.079 1.00 0.00 O ATOM 686 CB LYS A 44 -7.927 4.741 -5.968 1.00 0.00 C ATOM 687 CG LYS A 44 -9.274 5.422 -5.806 1.00 0.00 C ATOM 688 CD LYS A 44 -9.535 6.409 -6.931 1.00 0.00 C ATOM 689 CE LYS A 44 -10.632 7.393 -6.563 1.00 0.00 C ATOM 690 NZ LYS A 44 -10.321 8.771 -7.034 1.00 0.00 N ATOM 0 H LYS A 44 -8.847 2.068 -5.936 1.00 0.00 H new ATOM 0 HA LYS A 44 -8.098 4.008 -8.015 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.618 4.331 -5.007 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.183 5.486 -6.251 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.063 4.671 -5.789 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.308 5.942 -4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.618 6.953 -7.160 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.818 5.867 -7.834 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.576 7.065 -6.999 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.766 7.400 -5.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -11.093 9.413 -6.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.434 9.095 -6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.219 8.769 -8.069 1.00 0.00 H new ATOM 704 N GLU A 45 -5.681 3.343 -7.841 1.00 0.00 N ATOM 705 CA GLU A 45 -4.322 2.820 -7.857 1.00 0.00 C ATOM 706 C GLU A 45 -3.395 3.862 -7.235 1.00 0.00 C ATOM 707 O GLU A 45 -3.195 4.925 -7.824 1.00 0.00 O ATOM 708 CB GLU A 45 -3.881 2.494 -9.288 1.00 0.00 C ATOM 709 CG GLU A 45 -2.525 1.806 -9.386 1.00 0.00 C ATOM 710 CD GLU A 45 -2.411 0.922 -10.610 1.00 0.00 C ATOM 711 OE1 GLU A 45 -3.460 0.583 -11.197 1.00 0.00 O ATOM 712 OE2 GLU A 45 -1.273 0.559 -10.977 1.00 0.00 O ATOM 0 H GLU A 45 -5.874 4.035 -8.565 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.279 1.895 -7.282 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.633 1.855 -9.751 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.849 3.418 -9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.739 2.561 -9.412 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.360 1.206 -8.491 1.00 0.00 H new ATOM 719 N GLY A 46 -2.897 3.623 -6.025 1.00 0.00 N ATOM 720 CA GLY A 46 -2.074 4.641 -5.389 1.00 0.00 C ATOM 721 C GLY A 46 -0.852 4.118 -4.665 1.00 0.00 C ATOM 722 O GLY A 46 -0.866 3.024 -4.100 1.00 0.00 O ATOM 0 H GLY A 46 -3.041 2.770 -5.485 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.750 5.352 -6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.690 5.193 -4.679 1.00 0.00 H new ATOM 726 N LEU A 47 0.205 4.925 -4.681 1.00 0.00 N ATOM 727 CA LEU A 47 1.465 4.588 -4.034 1.00 0.00 C ATOM 728 C LEU A 47 1.285 4.427 -2.525 1.00 0.00 C ATOM 729 O LEU A 47 0.446 5.094 -1.920 1.00 0.00 O ATOM 730 CB LEU A 47 2.481 5.696 -4.322 1.00 0.00 C ATOM 731 CG LEU A 47 3.298 5.515 -5.602 1.00 0.00 C ATOM 732 CD1 LEU A 47 2.689 6.320 -6.740 1.00 0.00 C ATOM 733 CD2 LEU A 47 4.749 5.922 -5.374 1.00 0.00 C ATOM 0 H LEU A 47 0.210 5.833 -5.145 1.00 0.00 H new ATOM 0 HA LEU A 47 1.822 3.638 -4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.951 6.647 -4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.168 5.765 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 47 3.278 4.460 -5.877 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.283 6.180 -7.643 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.669 5.981 -6.920 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.678 7.377 -6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.314 5.786 -6.296 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.790 6.969 -5.074 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.182 5.302 -4.589 1.00 0.00 H new ATOM 745 N ILE A 48 2.062 3.534 -1.921 1.00 0.00 N ATOM 746 CA ILE A 48 1.952 3.297 -0.483 1.00 0.00 C ATOM 747 C ILE A 48 3.301 2.981 0.169 1.00 0.00 C ATOM 748 O ILE A 48 3.845 1.892 -0.038 1.00 0.00 O ATOM 749 CB ILE A 48 0.967 2.151 -0.186 1.00 0.00 C ATOM 750 CG1 ILE A 48 1.308 0.912 -1.015 1.00 0.00 C ATOM 751 CG2 ILE A 48 -0.460 2.597 -0.464 1.00 0.00 C ATOM 752 CD1 ILE A 48 0.698 -0.356 -0.462 1.00 0.00 C ATOM 0 H ILE A 48 2.766 2.969 -2.395 1.00 0.00 H new ATOM 0 HA ILE A 48 1.579 4.226 -0.052 1.00 0.00 H new ATOM 0 HB ILE A 48 1.054 1.890 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.961 1.059 -2.038 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.391 0.798 -1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.146 1.777 -0.250 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.705 3.450 0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.554 2.884 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.976 -1.199 -1.094 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.065 -0.525 0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.388 -0.259 -0.443 1.00 0.00 H new ATOM 764 N PRO A 49 3.785 3.867 1.082 1.00 0.00 N ATOM 765 CA PRO A 49 5.025 3.672 1.829 1.00 0.00 C ATOM 766 C PRO A 49 5.394 2.186 2.023 1.00 0.00 C ATOM 767 O PRO A 49 4.522 1.354 2.260 1.00 0.00 O ATOM 768 CB PRO A 49 4.735 4.308 3.181 1.00 0.00 C ATOM 769 CG PRO A 49 3.682 5.342 2.916 1.00 0.00 C ATOM 770 CD PRO A 49 3.102 5.088 1.533 1.00 0.00 C ATOM 0 HA PRO A 49 5.871 4.107 1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.385 3.565 3.898 1.00 0.00 H new ATOM 0 HB3 PRO A 49 5.632 4.760 3.603 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.899 5.289 3.672 1.00 0.00 H new ATOM 0 HG3 PRO A 49 4.110 6.343 2.970 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.021 4.950 1.572 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.293 5.924 0.860 1.00 0.00 H new ATOM 778 N SER A 50 6.674 1.857 1.846 1.00 0.00 N ATOM 779 CA SER A 50 7.162 0.472 1.977 1.00 0.00 C ATOM 780 C SER A 50 7.220 -0.026 3.429 1.00 0.00 C ATOM 781 O SER A 50 6.871 -1.169 3.715 1.00 0.00 O ATOM 782 CB SER A 50 8.555 0.337 1.357 1.00 0.00 C ATOM 783 OG SER A 50 8.560 -0.624 0.316 1.00 0.00 O ATOM 0 H SER A 50 7.401 2.532 1.610 1.00 0.00 H new ATOM 0 HA SER A 50 6.438 -0.147 1.447 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.877 1.302 0.966 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.272 0.049 2.126 1.00 0.00 H new ATOM 0 HG SER A 50 9.461 -0.690 -0.064 1.00 0.00 H new ATOM 789 N ASN A 51 7.731 0.813 4.318 1.00 0.00 N ATOM 790 CA ASN A 51 7.927 0.428 5.722 1.00 0.00 C ATOM 791 C ASN A 51 6.636 0.238 6.524 1.00 0.00 C ATOM 792 O ASN A 51 6.659 -0.372 7.593 1.00 0.00 O ATOM 793 CB ASN A 51 8.780 1.495 6.410 1.00 0.00 C ATOM 794 CG ASN A 51 9.813 0.892 7.343 1.00 0.00 C ATOM 795 OD1 ASN A 51 9.495 0.037 8.169 1.00 0.00 O ATOM 796 ND2 ASN A 51 11.057 1.335 7.214 1.00 0.00 N ATOM 0 H ASN A 51 8.020 1.767 4.099 1.00 0.00 H new ATOM 0 HA ASN A 51 8.415 -0.546 5.701 1.00 0.00 H new ATOM 0 HB2 ASN A 51 9.284 2.097 5.654 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.133 2.167 6.974 1.00 0.00 H new ATOM 0 HD21 ASN A 51 11.795 0.965 7.814 1.00 0.00 H new ATOM 0 HD22 ASN A 51 11.276 2.045 6.515 1.00 0.00 H new ATOM 803 N TYR A 52 5.516 0.722 6.011 1.00 0.00 N ATOM 804 CA TYR A 52 4.235 0.576 6.703 1.00 0.00 C ATOM 805 C TYR A 52 3.491 -0.688 6.250 1.00 0.00 C ATOM 806 O TYR A 52 2.578 -1.193 6.950 1.00 0.00 O ATOM 807 CB TYR A 52 3.362 1.804 6.423 1.00 0.00 C ATOM 808 CG TYR A 52 3.889 3.093 7.024 1.00 0.00 C ATOM 809 CD1 TYR A 52 5.253 3.368 7.078 1.00 0.00 C ATOM 810 CD2 TYR A 52 3.015 4.042 7.536 1.00 0.00 C ATOM 811 CE1 TYR A 52 5.724 4.547 7.625 1.00 0.00 C ATOM 812 CE2 TYR A 52 3.479 5.225 8.084 1.00 0.00 C ATOM 813 CZ TYR A 52 4.833 5.472 8.127 1.00 0.00 C ATOM 814 OH TYR A 52 5.296 6.649 8.674 1.00 0.00 O ATOM 0 H TYR A 52 5.463 1.218 5.122 1.00 0.00 H new ATOM 0 HA TYR A 52 4.436 0.489 7.771 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.269 1.931 5.344 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.360 1.619 6.810 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.955 2.647 6.686 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.952 3.853 7.506 1.00 0.00 H new ATOM 0 HE1 TYR A 52 6.786 4.743 7.659 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.782 5.951 8.476 1.00 0.00 H new ATOM 0 HH TYR A 52 4.537 7.189 8.979 1.00 0.00 H new ATOM 824 N ILE A 53 3.974 -1.288 5.162 1.00 0.00 N ATOM 825 CA ILE A 53 3.382 -2.508 4.646 1.00 0.00 C ATOM 826 C ILE A 53 4.426 -3.543 4.239 1.00 0.00 C ATOM 827 O ILE A 53 5.598 -3.226 4.042 1.00 0.00 O ATOM 828 CB ILE A 53 2.544 -2.170 3.388 1.00 0.00 C ATOM 829 CG1 ILE A 53 1.873 -3.411 2.802 1.00 0.00 C ATOM 830 CG2 ILE A 53 3.417 -1.501 2.347 1.00 0.00 C ATOM 831 CD1 ILE A 53 0.697 -3.092 1.906 1.00 0.00 C ATOM 0 H ILE A 53 4.772 -0.945 4.627 1.00 0.00 H new ATOM 0 HA ILE A 53 2.772 -2.929 5.446 1.00 0.00 H new ATOM 0 HB ILE A 53 1.753 -1.483 3.690 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.610 -3.979 2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.536 -4.052 3.617 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.819 -1.267 1.466 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.833 -0.581 2.758 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.228 -2.173 2.067 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.268 -4.019 1.525 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.058 -2.550 2.476 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.032 -2.477 1.071 1.00 0.00 H new ATOM 843 N GLU A 54 3.971 -4.789 4.095 1.00 0.00 N ATOM 844 CA GLU A 54 4.799 -5.914 3.694 1.00 0.00 C ATOM 845 C GLU A 54 3.985 -6.894 2.842 1.00 0.00 C ATOM 846 O GLU A 54 2.768 -7.024 3.034 1.00 0.00 O ATOM 847 CB GLU A 54 5.320 -6.656 4.927 1.00 0.00 C ATOM 848 CG GLU A 54 6.600 -6.066 5.496 1.00 0.00 C ATOM 849 CD GLU A 54 7.758 -7.047 5.475 1.00 0.00 C ATOM 850 OE1 GLU A 54 7.886 -7.793 4.482 1.00 0.00 O ATOM 851 OE2 GLU A 54 8.536 -7.068 6.453 1.00 0.00 O ATOM 0 H GLU A 54 2.997 -5.043 4.258 1.00 0.00 H new ATOM 0 HA GLU A 54 5.638 -5.528 3.114 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.551 -6.646 5.699 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.496 -7.700 4.666 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.871 -5.178 4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.422 -5.743 6.522 1.00 0.00 H new ATOM 858 N MET A 55 4.649 -7.635 1.960 1.00 0.00 N ATOM 859 CA MET A 55 3.953 -8.600 1.111 1.00 0.00 C ATOM 860 C MET A 55 3.272 -9.686 1.932 1.00 0.00 C ATOM 861 O MET A 55 3.920 -10.422 2.676 1.00 0.00 O ATOM 862 CB MET A 55 4.922 -9.237 0.110 1.00 0.00 C ATOM 863 CG MET A 55 5.890 -8.253 -0.532 1.00 0.00 C ATOM 864 SD MET A 55 7.577 -8.893 -0.604 1.00 0.00 S ATOM 865 CE MET A 55 8.407 -7.573 -1.488 1.00 0.00 C ATOM 0 H MET A 55 5.657 -7.588 1.814 1.00 0.00 H new ATOM 0 HA MET A 55 3.182 -8.054 0.567 1.00 0.00 H new ATOM 0 HB2 MET A 55 5.494 -10.013 0.618 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.346 -9.728 -0.675 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.550 -8.019 -1.541 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.882 -7.320 0.031 1.00 0.00 H new ATOM 0 HE1 MET A 55 9.461 -7.824 -1.610 1.00 0.00 H new ATOM 0 HE2 MET A 55 7.948 -7.447 -2.468 1.00 0.00 H new ATOM 0 HE3 MET A 55 8.318 -6.645 -0.923 1.00 0.00 H new