USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 506 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 34 SER OG : rot 62:sc= 1.16 USER MOD Set 1.2: A 43 TYR OH : rot 130:sc= 1.08 USER MOD Set 2.1: A 15 TYR OH : rot 159:sc= -1.96! USER MOD Set 2.2: A 37 MET CE :methyl 151:sc= -0.0112 (180deg=-1.12) USER MOD Set 3.1: A 26 HIS : no HD1:sc= -5.06! C(o=-4.3!,f=-4.6!) USER MOD Set 3.2: A 27 ASN : amide:sc= 0.733 K(o=-4.3,f=-5) USER MOD Single : A 10 THR OG1 : rot -40:sc= 0.171 USER MOD Single : A 12 LYS NZ :NH3+ 155:sc= 0.94 (180deg=-0.0334!) USER MOD Single : A 14 LYS NZ :NH3+ 167:sc= 1.17 (180deg=0.841) USER MOD Single : A 20 SER OG : rot 5:sc= -1.9! USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.153 K(o=-0.15,f=-9.1!) USER MOD Single : A 29 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 152:sc= 1.32 (180deg=0.797) USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 40 SER OG : rot 70:sc= 0.235 USER MOD Single : A 44 GLN : amide:sc= -0.0183 K(o=-0.018,f=-1.2!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.14 USER MOD Single : A 53 GLN : amide:sc= -0.0995 X(o=-0.099,f=-0.11) USER MOD Single : A 54 LYS NZ :NH3+ -167:sc= 1.29 (180deg=1.06) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -0.062 X(o=-0.062,f=-0.06) USER MOD Single : A 62 HIS :FLIP no HE2:sc= -4.09! C(o=-5.5!,f=-4.1!) USER MOD Single : A 64 HIS : no HD1:sc= -4.88! C(o=-4.9!,f=-9.9!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 75 N THR A 10 -11.051 4.441 2.088 1.00 0.00 N ATOM 76 CA THR A 10 -10.588 3.905 3.365 1.00 0.00 C ATOM 77 C THR A 10 -9.699 2.673 3.201 1.00 0.00 C ATOM 78 O THR A 10 -8.726 2.507 3.936 1.00 0.00 O ATOM 79 CB THR A 10 -11.768 3.558 4.282 1.00 0.00 C ATOM 80 OG1 THR A 10 -12.721 2.753 3.574 1.00 0.00 O ATOM 81 CG2 THR A 10 -12.443 4.818 4.802 1.00 0.00 C ATOM 0 HA THR A 10 -9.990 4.694 3.821 1.00 0.00 H new ATOM 0 HB THR A 10 -11.383 2.997 5.134 1.00 0.00 H new ATOM 0 HG1 THR A 10 -12.815 3.087 2.658 1.00 0.00 H new ATOM 0 HG21 THR A 10 -13.276 4.544 5.449 1.00 0.00 H new ATOM 0 HG22 THR A 10 -11.723 5.409 5.368 1.00 0.00 H new ATOM 0 HG23 THR A 10 -12.814 5.405 3.962 1.00 0.00 H new ATOM 89 N ALA A 11 -10.027 1.805 2.248 1.00 0.00 N ATOM 90 CA ALA A 11 -9.212 0.621 2.003 1.00 0.00 C ATOM 91 C ALA A 11 -7.834 1.029 1.532 1.00 0.00 C ATOM 92 O ALA A 11 -6.826 0.504 1.999 1.00 0.00 O ATOM 93 CB ALA A 11 -9.858 -0.291 0.977 1.00 0.00 C ATOM 0 H ALA A 11 -10.841 1.897 1.640 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.128 0.071 2.940 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -9.226 -1.164 0.817 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -10.835 -0.612 1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -9.979 0.247 0.037 1.00 0.00 H new ATOM 99 N LYS A 12 -7.802 1.985 0.617 1.00 0.00 N ATOM 100 CA LYS A 12 -6.548 2.504 0.115 1.00 0.00 C ATOM 101 C LYS A 12 -5.801 3.222 1.225 1.00 0.00 C ATOM 102 O LYS A 12 -4.606 3.040 1.387 1.00 0.00 O ATOM 103 CB LYS A 12 -6.782 3.450 -1.067 1.00 0.00 C ATOM 104 CG LYS A 12 -5.507 4.112 -1.559 1.00 0.00 C ATOM 105 CD LYS A 12 -5.701 4.806 -2.893 1.00 0.00 C ATOM 106 CE LYS A 12 -4.410 5.460 -3.357 1.00 0.00 C ATOM 107 NZ LYS A 12 -4.042 6.628 -2.514 1.00 0.00 N ATOM 0 H LYS A 12 -8.632 2.415 0.209 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.945 1.667 -0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.235 2.893 -1.887 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.495 4.221 -0.773 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.168 4.838 -0.820 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -4.722 3.361 -1.652 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.036 4.084 -3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.484 5.559 -2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.603 4.727 -3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -4.518 5.781 -4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.015 6.782 -2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.536 7.475 -2.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.318 6.445 -1.528 1.00 0.00 H new ATOM 121 N ASP A 13 -6.532 4.004 1.998 1.00 0.00 N ATOM 122 CA ASP A 13 -5.962 4.800 3.081 1.00 0.00 C ATOM 123 C ASP A 13 -5.312 3.916 4.140 1.00 0.00 C ATOM 124 O ASP A 13 -4.189 4.179 4.580 1.00 0.00 O ATOM 125 CB ASP A 13 -7.069 5.645 3.722 1.00 0.00 C ATOM 126 CG ASP A 13 -6.519 6.803 4.526 1.00 0.00 C ATOM 127 OD1 ASP A 13 -6.233 7.860 3.928 1.00 0.00 O ATOM 128 OD2 ASP A 13 -6.376 6.662 5.760 1.00 0.00 O ATOM 0 H ASP A 13 -7.541 4.109 1.896 1.00 0.00 H new ATOM 0 HA ASP A 13 -5.189 5.446 2.664 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.727 6.028 2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.676 5.013 4.370 1.00 0.00 H new ATOM 133 N LYS A 14 -6.007 2.863 4.552 1.00 0.00 N ATOM 134 CA LYS A 14 -5.485 1.969 5.540 1.00 0.00 C ATOM 135 C LYS A 14 -4.376 1.110 4.936 1.00 0.00 C ATOM 136 O LYS A 14 -3.400 0.784 5.608 1.00 0.00 O ATOM 137 CB LYS A 14 -6.617 1.116 6.078 1.00 0.00 C ATOM 138 CG LYS A 14 -6.335 0.574 7.452 1.00 0.00 C ATOM 139 CD LYS A 14 -7.378 1.018 8.466 1.00 0.00 C ATOM 140 CE LYS A 14 -8.690 0.266 8.303 1.00 0.00 C ATOM 141 NZ LYS A 14 -8.572 -1.156 8.726 1.00 0.00 N ATOM 0 H LYS A 14 -6.935 2.619 4.207 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.050 2.534 6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -7.531 1.709 6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.797 0.286 5.395 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.308 -0.515 7.413 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.349 0.906 7.777 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.993 0.861 9.474 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.557 2.088 8.356 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -9.465 0.757 8.892 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -9.006 0.310 7.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.521 -1.573 8.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.023 -1.684 8.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.089 -1.206 9.646 1.00 0.00 H new ATOM 155 N TYR A 15 -4.523 0.762 3.658 1.00 0.00 N ATOM 156 CA TYR A 15 -3.446 0.116 2.913 1.00 0.00 C ATOM 157 C TYR A 15 -2.226 1.015 2.888 1.00 0.00 C ATOM 158 O TYR A 15 -1.087 0.563 3.003 1.00 0.00 O ATOM 159 CB TYR A 15 -3.863 -0.168 1.469 1.00 0.00 C ATOM 160 CG TYR A 15 -2.719 -0.672 0.620 1.00 0.00 C ATOM 161 CD1 TYR A 15 -2.447 -2.029 0.552 1.00 0.00 C ATOM 162 CD2 TYR A 15 -1.896 0.206 -0.097 1.00 0.00 C ATOM 163 CE1 TYR A 15 -1.397 -2.508 -0.201 1.00 0.00 C ATOM 164 CE2 TYR A 15 -0.847 -0.274 -0.853 1.00 0.00 C ATOM 165 CZ TYR A 15 -0.602 -1.628 -0.898 1.00 0.00 C ATOM 166 OH TYR A 15 0.444 -2.106 -1.646 1.00 0.00 O ATOM 0 H TYR A 15 -5.375 0.917 3.119 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.219 -0.826 3.412 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.665 -0.906 1.465 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.265 0.743 1.026 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.068 -2.723 1.098 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.085 1.269 -0.057 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.199 -3.569 -0.244 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -0.221 0.409 -1.407 1.00 0.00 H new ATOM 0 HH TYR A 15 0.692 -1.442 -2.323 1.00 0.00 H new ATOM 176 N GLU A 16 -2.483 2.289 2.698 1.00 0.00 N ATOM 177 CA GLU A 16 -1.448 3.284 2.669 1.00 0.00 C ATOM 178 C GLU A 16 -0.709 3.344 4.003 1.00 0.00 C ATOM 179 O GLU A 16 0.493 3.624 4.038 1.00 0.00 O ATOM 180 CB GLU A 16 -2.056 4.624 2.265 1.00 0.00 C ATOM 181 CG GLU A 16 -2.202 4.767 0.769 1.00 0.00 C ATOM 182 CD GLU A 16 -2.644 6.148 0.330 1.00 0.00 C ATOM 183 OE1 GLU A 16 -1.780 7.027 0.133 1.00 0.00 O ATOM 184 OE2 GLU A 16 -3.860 6.355 0.143 1.00 0.00 O ATOM 0 H GLU A 16 -3.423 2.661 2.559 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.697 3.018 1.925 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.034 4.731 2.734 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.430 5.432 2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.249 4.533 0.296 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.924 4.033 0.411 1.00 0.00 H new ATOM 191 N TRP A 17 -1.395 3.045 5.103 1.00 0.00 N ATOM 192 CA TRP A 17 -0.688 2.861 6.349 1.00 0.00 C ATOM 193 C TRP A 17 0.012 1.520 6.347 1.00 0.00 C ATOM 194 O TRP A 17 1.103 1.405 6.858 1.00 0.00 O ATOM 195 CB TRP A 17 -1.585 2.950 7.571 1.00 0.00 C ATOM 196 CG TRP A 17 -1.008 2.229 8.744 1.00 0.00 C ATOM 197 CD1 TRP A 17 0.102 2.535 9.438 1.00 0.00 C ATOM 198 CD2 TRP A 17 -1.513 1.050 9.314 1.00 0.00 C ATOM 199 NE1 TRP A 17 0.309 1.614 10.431 1.00 0.00 N ATOM 200 CE2 TRP A 17 -0.689 0.695 10.380 1.00 0.00 C ATOM 201 CE3 TRP A 17 -2.595 0.282 9.015 1.00 0.00 C ATOM 202 CZ2 TRP A 17 -0.937 -0.420 11.159 1.00 0.00 C ATOM 203 CZ3 TRP A 17 -2.853 -0.835 9.781 1.00 0.00 C ATOM 204 CH2 TRP A 17 -2.024 -1.168 10.851 1.00 0.00 C ATOM 0 H TRP A 17 -2.407 2.930 5.151 1.00 0.00 H new ATOM 0 HA TRP A 17 0.031 3.677 6.418 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -1.741 3.997 7.830 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -2.563 2.531 7.334 1.00 0.00 H new ATOM 0 HD1 TRP A 17 0.739 3.385 9.241 1.00 0.00 H new ATOM 0 HE1 TRP A 17 1.082 1.618 11.096 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -3.242 0.543 8.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -0.289 -0.685 11.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -3.705 -1.457 9.550 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.253 -2.040 11.446 1.00 0.00 H new ATOM 215 N LEU A 18 -0.621 0.500 5.794 1.00 0.00 N ATOM 216 CA LEU A 18 0.001 -0.815 5.734 1.00 0.00 C ATOM 217 C LEU A 18 1.407 -0.689 5.150 1.00 0.00 C ATOM 218 O LEU A 18 2.387 -1.199 5.701 1.00 0.00 O ATOM 219 CB LEU A 18 -0.814 -1.777 4.848 1.00 0.00 C ATOM 220 CG LEU A 18 -1.867 -2.650 5.538 1.00 0.00 C ATOM 221 CD1 LEU A 18 -1.281 -4.000 5.908 1.00 0.00 C ATOM 222 CD2 LEU A 18 -2.406 -1.968 6.775 1.00 0.00 C ATOM 0 H LEU A 18 -1.554 0.553 5.384 1.00 0.00 H new ATOM 0 HA LEU A 18 0.041 -1.215 6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.316 -1.186 4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -0.114 -2.436 4.334 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.688 -2.800 4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.044 -4.606 6.397 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.938 -4.507 5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.440 -3.858 6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.152 -2.607 7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.590 -1.785 7.474 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.865 -1.019 6.497 1.00 0.00 H new ATOM 234 N VAL A 19 1.488 0.033 4.045 1.00 0.00 N ATOM 235 CA VAL A 19 2.747 0.233 3.351 1.00 0.00 C ATOM 236 C VAL A 19 3.695 1.100 4.176 1.00 0.00 C ATOM 237 O VAL A 19 4.904 0.906 4.143 1.00 0.00 O ATOM 238 CB VAL A 19 2.518 0.852 1.948 1.00 0.00 C ATOM 239 CG1 VAL A 19 2.363 2.364 1.992 1.00 0.00 C ATOM 240 CG2 VAL A 19 3.619 0.444 0.982 1.00 0.00 C ATOM 0 H VAL A 19 0.690 0.493 3.607 1.00 0.00 H new ATOM 0 HA VAL A 19 3.211 -0.744 3.217 1.00 0.00 H new ATOM 0 HB VAL A 19 1.573 0.451 1.582 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.205 2.743 0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.507 2.624 2.615 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.265 2.810 2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.432 0.893 0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 19 4.581 0.788 1.361 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.634 -0.642 0.885 1.00 0.00 H new ATOM 250 N SER A 20 3.146 2.049 4.923 1.00 0.00 N ATOM 251 CA SER A 20 3.966 2.875 5.811 1.00 0.00 C ATOM 252 C SER A 20 4.319 2.143 7.103 1.00 0.00 C ATOM 253 O SER A 20 5.304 2.473 7.768 1.00 0.00 O ATOM 254 CB SER A 20 3.257 4.190 6.125 1.00 0.00 C ATOM 255 OG SER A 20 1.982 3.982 6.693 1.00 0.00 O ATOM 0 H SER A 20 2.150 2.267 4.935 1.00 0.00 H new ATOM 0 HA SER A 20 4.898 3.089 5.288 1.00 0.00 H new ATOM 0 HB2 SER A 20 3.868 4.776 6.811 1.00 0.00 H new ATOM 0 HB3 SER A 20 3.155 4.774 5.210 1.00 0.00 H new ATOM 0 HG SER A 20 1.843 3.024 6.843 1.00 0.00 H new ATOM 261 N ARG A 21 3.520 1.146 7.449 1.00 0.00 N ATOM 262 CA ARG A 21 3.709 0.400 8.654 1.00 0.00 C ATOM 263 C ARG A 21 4.831 -0.612 8.455 1.00 0.00 C ATOM 264 O ARG A 21 5.452 -1.079 9.411 1.00 0.00 O ATOM 265 CB ARG A 21 2.386 -0.264 9.066 1.00 0.00 C ATOM 266 CG ARG A 21 2.328 -1.697 8.692 1.00 0.00 C ATOM 267 CD ARG A 21 1.099 -2.408 9.239 1.00 0.00 C ATOM 268 NE ARG A 21 1.242 -3.866 9.195 1.00 0.00 N ATOM 269 CZ ARG A 21 0.230 -4.729 9.321 1.00 0.00 C ATOM 270 NH1 ARG A 21 -1.017 -4.289 9.454 1.00 0.00 N ATOM 271 NH2 ARG A 21 0.476 -6.034 9.324 1.00 0.00 N ATOM 0 H ARG A 21 2.723 0.841 6.891 1.00 0.00 H new ATOM 0 HA ARG A 21 4.005 1.062 9.467 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.255 -0.168 10.144 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.557 0.264 8.596 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.337 -1.783 7.605 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.224 -2.198 9.059 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.925 -2.092 10.268 1.00 0.00 H new ATOM 0 HD3 ARG A 21 0.223 -2.112 8.662 1.00 0.00 H new ATOM 0 HE ARG A 21 2.178 -4.248 9.059 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -1.206 -3.287 9.460 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -1.785 -4.954 9.550 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.434 -6.373 9.230 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -0.293 -6.698 9.420 1.00 0.00 H new ATOM 285 N ILE A 22 5.092 -0.925 7.195 1.00 0.00 N ATOM 286 CA ILE A 22 6.192 -1.805 6.838 1.00 0.00 C ATOM 287 C ILE A 22 7.365 -1.000 6.283 1.00 0.00 C ATOM 288 O ILE A 22 8.416 -0.888 6.914 1.00 0.00 O ATOM 289 CB ILE A 22 5.746 -2.828 5.793 1.00 0.00 C ATOM 290 CG1 ILE A 22 4.433 -3.458 6.235 1.00 0.00 C ATOM 291 CG2 ILE A 22 6.811 -3.893 5.604 1.00 0.00 C ATOM 292 CD1 ILE A 22 4.576 -4.680 7.117 1.00 0.00 C ATOM 0 H ILE A 22 4.554 -0.580 6.400 1.00 0.00 H new ATOM 0 HA ILE A 22 6.508 -2.327 7.741 1.00 0.00 H new ATOM 0 HB ILE A 22 5.599 -2.326 4.837 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.849 -2.709 6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.862 -3.733 5.348 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.477 -4.613 4.857 1.00 0.00 H new ATOM 0 HG22 ILE A 22 7.737 -3.426 5.269 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.984 -4.406 6.550 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.588 -5.057 7.380 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.128 -5.452 6.582 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.115 -4.412 8.026 1.00 0.00 H new ATOM 304 N VAL A 23 7.170 -0.450 5.089 1.00 0.00 N ATOM 305 CA VAL A 23 8.158 0.390 4.432 1.00 0.00 C ATOM 306 C VAL A 23 8.399 1.687 5.199 1.00 0.00 C ATOM 307 O VAL A 23 7.612 2.632 5.118 1.00 0.00 O ATOM 308 CB VAL A 23 7.683 0.729 3.020 1.00 0.00 C ATOM 309 CG1 VAL A 23 8.751 1.497 2.276 1.00 0.00 C ATOM 310 CG2 VAL A 23 7.299 -0.533 2.265 1.00 0.00 C ATOM 0 H VAL A 23 6.315 -0.577 4.548 1.00 0.00 H new ATOM 0 HA VAL A 23 9.095 -0.166 4.398 1.00 0.00 H new ATOM 0 HB VAL A 23 6.797 1.359 3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.398 1.731 1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.971 2.422 2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.655 0.892 2.211 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.964 -0.269 1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.164 -1.193 2.197 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.494 -1.043 2.794 1.00 0.00 H new ATOM 320 N LYS A 24 9.503 1.724 5.928 1.00 0.00 N ATOM 321 CA LYS A 24 9.861 2.889 6.720 1.00 0.00 C ATOM 322 C LYS A 24 10.924 3.736 6.021 1.00 0.00 C ATOM 323 O LYS A 24 10.753 4.935 5.819 1.00 0.00 O ATOM 324 CB LYS A 24 10.387 2.444 8.070 1.00 0.00 C ATOM 325 CG LYS A 24 9.399 1.657 8.851 1.00 0.00 C ATOM 326 CD LYS A 24 8.733 2.510 9.886 1.00 0.00 C ATOM 327 CE LYS A 24 7.458 1.850 10.340 1.00 0.00 C ATOM 328 NZ LYS A 24 6.599 2.772 11.130 1.00 0.00 N ATOM 0 H LYS A 24 10.170 0.955 5.987 1.00 0.00 H new ATOM 0 HA LYS A 24 8.965 3.497 6.845 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.285 1.844 7.923 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.680 3.322 8.646 1.00 0.00 H new ATOM 0 HG2 LYS A 24 8.648 1.240 8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.898 0.816 9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.401 2.657 10.735 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.518 3.496 9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.904 1.496 9.470 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.699 0.974 10.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.733 2.275 11.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 7.116 3.090 11.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.346 3.596 10.548 1.00 0.00 H new ATOM 342 N ASN A 25 12.020 3.087 5.650 1.00 0.00 N ATOM 343 CA ASN A 25 13.209 3.781 5.142 1.00 0.00 C ATOM 344 C ASN A 25 13.271 3.803 3.614 1.00 0.00 C ATOM 345 O ASN A 25 14.309 4.140 3.046 1.00 0.00 O ATOM 346 CB ASN A 25 14.467 3.109 5.702 1.00 0.00 C ATOM 347 CG ASN A 25 14.520 1.618 5.399 1.00 0.00 C ATOM 348 OD1 ASN A 25 14.024 1.156 4.369 1.00 0.00 O ATOM 349 ND2 ASN A 25 15.101 0.850 6.301 1.00 0.00 N ATOM 0 H ASN A 25 12.116 2.072 5.690 1.00 0.00 H new ATOM 0 HA ASN A 25 13.150 4.817 5.474 1.00 0.00 H new ATOM 0 HB2 ASN A 25 15.350 3.592 5.283 1.00 0.00 H new ATOM 0 HB3 ASN A 25 14.504 3.258 6.781 1.00 0.00 H new ATOM 0 HD21 ASN A 25 15.150 -0.159 6.157 1.00 0.00 H new ATOM 0 HD22 ASN A 25 15.501 1.265 7.142 1.00 0.00 H new ATOM 356 N HIS A 26 12.165 3.418 2.971 1.00 0.00 N ATOM 357 CA HIS A 26 12.029 3.369 1.500 1.00 0.00 C ATOM 358 C HIS A 26 13.054 2.445 0.829 1.00 0.00 C ATOM 359 O HIS A 26 13.018 2.253 -0.384 1.00 0.00 O ATOM 360 CB HIS A 26 12.074 4.781 0.861 1.00 0.00 C ATOM 361 CG HIS A 26 13.436 5.366 0.619 1.00 0.00 C ATOM 362 ND1 HIS A 26 13.772 6.609 1.062 1.00 0.00 N ATOM 363 CD2 HIS A 26 14.536 4.885 -0.017 1.00 0.00 C ATOM 364 CE1 HIS A 26 15.021 6.870 0.732 1.00 0.00 C ATOM 365 NE2 HIS A 26 15.507 5.842 0.074 1.00 0.00 N ATOM 0 H HIS A 26 11.320 3.125 3.461 1.00 0.00 H new ATOM 0 HA HIS A 26 11.043 2.942 1.318 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.546 4.741 -0.092 1.00 0.00 H new ATOM 0 HB3 HIS A 26 11.519 5.464 1.504 1.00 0.00 H new ATOM 0 HD2 HIS A 26 14.626 3.925 -0.504 1.00 0.00 H new ATOM 0 HE1 HIS A 26 15.556 7.779 0.964 1.00 0.00 H new ATOM 0 HE2 HIS A 26 16.451 5.770 -0.305 1.00 0.00 H new ATOM 374 N ASN A 27 13.944 1.866 1.610 1.00 0.00 N ATOM 375 CA ASN A 27 15.046 1.078 1.074 1.00 0.00 C ATOM 376 C ASN A 27 14.648 -0.388 0.967 1.00 0.00 C ATOM 377 O ASN A 27 15.467 -1.299 1.096 1.00 0.00 O ATOM 378 CB ASN A 27 16.282 1.280 1.953 1.00 0.00 C ATOM 379 CG ASN A 27 17.175 2.384 1.447 1.00 0.00 C ATOM 380 OD1 ASN A 27 18.120 2.126 0.704 1.00 0.00 O ATOM 381 ND2 ASN A 27 16.894 3.622 1.808 1.00 0.00 N ATOM 0 H ASN A 27 13.928 1.925 2.628 1.00 0.00 H new ATOM 0 HA ASN A 27 15.289 1.413 0.066 1.00 0.00 H new ATOM 0 HB2 ASN A 27 15.967 1.510 2.971 1.00 0.00 H new ATOM 0 HB3 ASN A 27 16.849 0.350 1.997 1.00 0.00 H new ATOM 0 HD21 ASN A 27 17.467 4.395 1.469 1.00 0.00 H new ATOM 0 HD22 ASN A 27 16.103 3.806 2.426 1.00 0.00 H new ATOM 388 N GLU A 28 13.361 -0.580 0.733 1.00 0.00 N ATOM 389 CA GLU A 28 12.776 -1.888 0.501 1.00 0.00 C ATOM 390 C GLU A 28 12.569 -2.107 -0.992 1.00 0.00 C ATOM 391 O GLU A 28 12.890 -1.240 -1.807 1.00 0.00 O ATOM 392 CB GLU A 28 11.422 -1.980 1.202 1.00 0.00 C ATOM 393 CG GLU A 28 11.497 -1.934 2.715 1.00 0.00 C ATOM 394 CD GLU A 28 12.116 -3.179 3.311 1.00 0.00 C ATOM 395 OE1 GLU A 28 11.927 -4.276 2.741 1.00 0.00 O ATOM 396 OE2 GLU A 28 12.767 -3.072 4.369 1.00 0.00 O ATOM 0 H GLU A 28 12.683 0.181 0.698 1.00 0.00 H new ATOM 0 HA GLU A 28 13.451 -2.648 0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.791 -1.161 0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.933 -2.907 0.902 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.079 -1.064 3.019 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.493 -1.804 3.120 1.00 0.00 H new ATOM 403 N ASN A 29 12.024 -3.259 -1.338 1.00 0.00 N ATOM 404 CA ASN A 29 11.647 -3.551 -2.715 1.00 0.00 C ATOM 405 C ASN A 29 10.256 -4.162 -2.729 1.00 0.00 C ATOM 406 O ASN A 29 10.041 -5.206 -2.110 1.00 0.00 O ATOM 407 CB ASN A 29 12.649 -4.500 -3.375 1.00 0.00 C ATOM 408 CG ASN A 29 12.335 -4.737 -4.841 1.00 0.00 C ATOM 409 OD1 ASN A 29 11.761 -3.877 -5.517 1.00 0.00 O ATOM 410 ND2 ASN A 29 12.709 -5.899 -5.347 1.00 0.00 N ATOM 0 H ASN A 29 11.830 -4.015 -0.681 1.00 0.00 H new ATOM 0 HA ASN A 29 11.649 -2.622 -3.285 1.00 0.00 H new ATOM 0 HB2 ASN A 29 13.653 -4.087 -3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.647 -5.453 -2.846 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.526 -6.111 -6.328 1.00 0.00 H new ATOM 0 HD22 ASN A 29 13.181 -6.584 -4.757 1.00 0.00 H new ATOM 417 N TRP A 30 9.339 -3.508 -3.454 1.00 0.00 N ATOM 418 CA TRP A 30 7.896 -3.805 -3.430 1.00 0.00 C ATOM 419 C TRP A 30 7.568 -5.274 -3.217 1.00 0.00 C ATOM 420 O TRP A 30 6.831 -5.616 -2.300 1.00 0.00 O ATOM 421 CB TRP A 30 7.248 -3.322 -4.718 1.00 0.00 C ATOM 422 CG TRP A 30 5.931 -3.947 -4.962 1.00 0.00 C ATOM 423 CD1 TRP A 30 5.626 -4.715 -6.013 1.00 0.00 C ATOM 424 CD2 TRP A 30 4.769 -3.892 -4.136 1.00 0.00 C ATOM 425 NE1 TRP A 30 4.324 -5.141 -5.932 1.00 0.00 N ATOM 426 CE2 TRP A 30 3.774 -4.647 -4.780 1.00 0.00 C ATOM 427 CE3 TRP A 30 4.470 -3.274 -2.922 1.00 0.00 C ATOM 428 CZ2 TRP A 30 2.499 -4.800 -4.250 1.00 0.00 C ATOM 429 CZ3 TRP A 30 3.211 -3.424 -2.399 1.00 0.00 C ATOM 430 CH2 TRP A 30 2.234 -4.181 -3.060 1.00 0.00 C ATOM 0 H TRP A 30 9.581 -2.744 -4.085 1.00 0.00 H new ATOM 0 HA TRP A 30 7.494 -3.272 -2.568 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.130 -2.239 -4.677 1.00 0.00 H new ATOM 0 HB3 TRP A 30 7.910 -3.539 -5.557 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.308 -4.965 -6.813 1.00 0.00 H new ATOM 0 HE1 TRP A 30 3.846 -5.728 -6.616 1.00 0.00 H new ATOM 0 HE3 TRP A 30 5.215 -2.689 -2.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 1.747 -5.385 -4.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.968 -2.950 -1.460 1.00 0.00 H new ATOM 0 HH2 TRP A 30 1.252 -4.277 -2.621 1.00 0.00 H new ATOM 441 N LEU A 31 8.119 -6.122 -4.049 1.00 0.00 N ATOM 442 CA LEU A 31 7.747 -7.512 -4.081 1.00 0.00 C ATOM 443 C LEU A 31 7.910 -8.162 -2.714 1.00 0.00 C ATOM 444 O LEU A 31 6.972 -8.739 -2.170 1.00 0.00 O ATOM 445 CB LEU A 31 8.587 -8.205 -5.132 1.00 0.00 C ATOM 446 CG LEU A 31 8.273 -7.792 -6.571 1.00 0.00 C ATOM 447 CD1 LEU A 31 6.794 -7.962 -6.871 1.00 0.00 C ATOM 448 CD2 LEU A 31 8.729 -6.371 -6.896 1.00 0.00 C ATOM 0 H LEU A 31 8.840 -5.866 -4.724 1.00 0.00 H new ATOM 0 HA LEU A 31 6.692 -7.605 -4.340 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.639 -8.001 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.447 -9.282 -5.038 1.00 0.00 H new ATOM 0 HG LEU A 31 8.845 -8.459 -7.216 1.00 0.00 H new ATOM 0 HD11 LEU A 31 6.595 -7.662 -7.900 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.513 -9.007 -6.737 1.00 0.00 H new ATOM 0 HD13 LEU A 31 6.211 -7.339 -6.192 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.479 -6.136 -7.931 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.227 -5.667 -6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.807 -6.294 -6.757 1.00 0.00 H new ATOM 460 N SER A 32 9.100 -8.047 -2.162 1.00 0.00 N ATOM 461 CA SER A 32 9.385 -8.536 -0.834 1.00 0.00 C ATOM 462 C SER A 32 8.591 -7.819 0.258 1.00 0.00 C ATOM 463 O SER A 32 8.190 -8.453 1.228 1.00 0.00 O ATOM 464 CB SER A 32 10.869 -8.392 -0.559 1.00 0.00 C ATOM 465 OG SER A 32 11.615 -9.417 -1.190 1.00 0.00 O ATOM 0 H SER A 32 9.897 -7.610 -2.625 1.00 0.00 H new ATOM 0 HA SER A 32 9.081 -9.582 -0.806 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.213 -7.420 -0.912 1.00 0.00 H new ATOM 0 HB3 SER A 32 11.045 -8.421 0.516 1.00 0.00 H new ATOM 0 HG SER A 32 12.568 -9.295 -0.995 1.00 0.00 H new ATOM 471 N VAL A 33 8.367 -6.513 0.141 1.00 0.00 N ATOM 472 CA VAL A 33 7.596 -5.832 1.170 1.00 0.00 C ATOM 473 C VAL A 33 6.145 -6.255 1.086 1.00 0.00 C ATOM 474 O VAL A 33 5.459 -6.293 2.088 1.00 0.00 O ATOM 475 CB VAL A 33 7.697 -4.287 1.137 1.00 0.00 C ATOM 476 CG1 VAL A 33 8.502 -3.789 2.322 1.00 0.00 C ATOM 477 CG2 VAL A 33 8.321 -3.794 -0.141 1.00 0.00 C ATOM 0 H VAL A 33 8.695 -5.926 -0.626 1.00 0.00 H new ATOM 0 HA VAL A 33 8.036 -6.135 2.120 1.00 0.00 H new ATOM 0 HB VAL A 33 6.682 -3.893 1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.566 -2.701 2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.014 -4.095 3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 33 9.506 -4.213 2.284 1.00 0.00 H new ATOM 0 HG21 VAL A 33 8.373 -2.705 -0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 33 9.326 -4.204 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.716 -4.115 -0.989 1.00 0.00 H new ATOM 487 N SER A 34 5.705 -6.605 -0.112 1.00 0.00 N ATOM 488 CA SER A 34 4.378 -7.163 -0.319 1.00 0.00 C ATOM 489 C SER A 34 4.248 -8.508 0.394 1.00 0.00 C ATOM 490 O SER A 34 3.193 -8.832 0.934 1.00 0.00 O ATOM 491 CB SER A 34 4.120 -7.300 -1.827 1.00 0.00 C ATOM 492 OG SER A 34 3.438 -8.500 -2.144 1.00 0.00 O ATOM 0 H SER A 34 6.255 -6.511 -0.966 1.00 0.00 H new ATOM 0 HA SER A 34 3.627 -6.496 0.105 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.534 -6.448 -2.173 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.070 -7.271 -2.361 1.00 0.00 H new ATOM 0 HG SER A 34 2.562 -8.504 -1.705 1.00 0.00 H new ATOM 498 N ARG A 35 5.330 -9.281 0.388 1.00 0.00 N ATOM 499 CA ARG A 35 5.429 -10.501 1.137 1.00 0.00 C ATOM 500 C ARG A 35 5.189 -10.245 2.609 1.00 0.00 C ATOM 501 O ARG A 35 4.402 -10.914 3.272 1.00 0.00 O ATOM 502 CB ARG A 35 6.825 -11.014 0.934 1.00 0.00 C ATOM 503 CG ARG A 35 7.125 -11.271 -0.501 1.00 0.00 C ATOM 504 CD ARG A 35 8.046 -12.443 -0.634 1.00 0.00 C ATOM 505 NE ARG A 35 7.835 -13.167 -1.886 1.00 0.00 N ATOM 506 CZ ARG A 35 8.101 -14.465 -2.041 1.00 0.00 C ATOM 507 NH1 ARG A 35 8.686 -15.146 -1.063 1.00 0.00 N ATOM 508 NH2 ARG A 35 7.782 -15.081 -3.174 1.00 0.00 N ATOM 0 H ARG A 35 6.168 -9.062 -0.150 1.00 0.00 H new ATOM 0 HA ARG A 35 4.683 -11.221 0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.538 -10.290 1.329 1.00 0.00 H new ATOM 0 HB3 ARG A 35 6.958 -11.935 1.502 1.00 0.00 H new ATOM 0 HG2 ARG A 35 6.200 -11.462 -1.045 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.581 -10.388 -0.949 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.079 -12.099 -0.584 1.00 0.00 H new ATOM 0 HD3 ARG A 35 7.894 -13.120 0.206 1.00 0.00 H new ATOM 0 HE ARG A 35 7.464 -12.652 -2.685 1.00 0.00 H new ATOM 0 HH11 ARG A 35 8.933 -14.677 -0.192 1.00 0.00 H new ATOM 0 HH12 ARG A 35 8.889 -16.138 -1.183 1.00 0.00 H new ATOM 0 HH21 ARG A 35 7.333 -14.561 -3.928 1.00 0.00 H new ATOM 0 HH22 ARG A 35 7.987 -16.074 -3.290 1.00 0.00 H new ATOM 522 N LYS A 36 5.922 -9.279 3.096 1.00 0.00 N ATOM 523 CA LYS A 36 5.780 -8.777 4.451 1.00 0.00 C ATOM 524 C LYS A 36 4.357 -8.307 4.709 1.00 0.00 C ATOM 525 O LYS A 36 3.713 -8.675 5.692 1.00 0.00 O ATOM 526 CB LYS A 36 6.735 -7.607 4.618 1.00 0.00 C ATOM 527 CG LYS A 36 8.130 -7.950 4.182 1.00 0.00 C ATOM 528 CD LYS A 36 9.141 -6.903 4.570 1.00 0.00 C ATOM 529 CE LYS A 36 10.537 -7.290 4.105 1.00 0.00 C ATOM 530 NZ LYS A 36 11.558 -6.273 4.474 1.00 0.00 N ATOM 0 H LYS A 36 6.649 -8.806 2.559 1.00 0.00 H new ATOM 0 HA LYS A 36 6.007 -9.573 5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.373 -6.758 4.038 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.748 -7.297 5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.418 -8.905 4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 36 8.145 -8.079 3.100 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.862 -5.944 4.133 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.138 -6.773 5.652 1.00 0.00 H new ATOM 0 HE2 LYS A 36 10.810 -8.250 4.542 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.533 -7.422 3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.483 -6.734 4.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.617 -5.553 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.288 -5.819 5.370 1.00 0.00 H new ATOM 544 N MET A 37 3.916 -7.478 3.796 1.00 0.00 N ATOM 545 CA MET A 37 2.620 -6.802 3.851 1.00 0.00 C ATOM 546 C MET A 37 1.407 -7.732 3.745 1.00 0.00 C ATOM 547 O MET A 37 0.327 -7.372 4.214 1.00 0.00 O ATOM 548 CB MET A 37 2.567 -5.747 2.745 1.00 0.00 C ATOM 549 CG MET A 37 3.331 -4.488 3.102 1.00 0.00 C ATOM 550 SD MET A 37 3.580 -3.371 1.706 1.00 0.00 S ATOM 551 CE MET A 37 1.903 -3.112 1.149 1.00 0.00 C ATOM 0 H MET A 37 4.456 -7.240 2.964 1.00 0.00 H new ATOM 0 HA MET A 37 2.549 -6.350 4.840 1.00 0.00 H new ATOM 0 HB2 MET A 37 2.977 -6.168 1.827 1.00 0.00 H new ATOM 0 HB3 MET A 37 1.527 -5.491 2.542 1.00 0.00 H new ATOM 0 HG2 MET A 37 2.794 -3.958 3.889 1.00 0.00 H new ATOM 0 HG3 MET A 37 4.302 -4.766 3.511 1.00 0.00 H new ATOM 0 HE1 MET A 37 1.820 -2.127 0.689 1.00 0.00 H new ATOM 0 HE2 MET A 37 1.640 -3.877 0.418 1.00 0.00 H new ATOM 0 HE3 MET A 37 1.224 -3.174 1.999 1.00 0.00 H new ATOM 561 N GLN A 38 1.549 -8.914 3.141 1.00 0.00 N ATOM 562 CA GLN A 38 0.405 -9.790 2.959 1.00 0.00 C ATOM 563 C GLN A 38 -0.026 -10.392 4.291 1.00 0.00 C ATOM 564 O GLN A 38 0.507 -10.043 5.347 1.00 0.00 O ATOM 565 CB GLN A 38 0.683 -10.891 1.927 1.00 0.00 C ATOM 566 CG GLN A 38 1.798 -11.846 2.301 1.00 0.00 C ATOM 567 CD GLN A 38 1.985 -12.942 1.271 1.00 0.00 C ATOM 568 OE1 GLN A 38 1.709 -12.755 0.085 1.00 0.00 O ATOM 569 NE2 GLN A 38 2.451 -14.095 1.716 1.00 0.00 N ATOM 0 H GLN A 38 2.431 -9.276 2.778 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.412 -9.183 2.570 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -0.231 -11.464 1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 38 0.929 -10.422 0.974 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.729 -11.290 2.410 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.580 -12.294 3.270 1.00 0.00 H new ATOM 0 HE21 GLN A 38 2.668 -14.210 2.706 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.594 -14.871 1.069 1.00 0.00 H new ATOM 578 N ALA A 39 -0.980 -11.301 4.224 1.00 0.00 N ATOM 579 CA ALA A 39 -1.642 -11.837 5.416 1.00 0.00 C ATOM 580 C ALA A 39 -2.205 -10.699 6.274 1.00 0.00 C ATOM 581 O ALA A 39 -2.182 -10.754 7.506 1.00 0.00 O ATOM 582 CB ALA A 39 -0.689 -12.709 6.226 1.00 0.00 C ATOM 0 H ALA A 39 -1.323 -11.693 3.347 1.00 0.00 H new ATOM 0 HA ALA A 39 -2.472 -12.465 5.091 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.206 -13.094 7.105 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -0.348 -13.542 5.612 1.00 0.00 H new ATOM 0 HB3 ALA A 39 0.169 -12.115 6.541 1.00 0.00 H new ATOM 588 N SER A 40 -2.702 -9.669 5.600 1.00 0.00 N ATOM 589 CA SER A 40 -3.265 -8.506 6.245 1.00 0.00 C ATOM 590 C SER A 40 -4.472 -8.032 5.449 1.00 0.00 C ATOM 591 O SER A 40 -4.400 -7.868 4.230 1.00 0.00 O ATOM 592 CB SER A 40 -2.230 -7.392 6.310 1.00 0.00 C ATOM 593 OG SER A 40 -1.024 -7.842 6.908 1.00 0.00 O ATOM 0 H SER A 40 -2.722 -9.624 4.581 1.00 0.00 H new ATOM 0 HA SER A 40 -3.568 -8.767 7.259 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.025 -7.025 5.305 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.630 -6.554 6.880 1.00 0.00 H new ATOM 0 HG SER A 40 -0.569 -8.462 6.300 1.00 0.00 H new ATOM 599 N PRO A 41 -5.592 -7.813 6.154 1.00 0.00 N ATOM 600 CA PRO A 41 -6.880 -7.441 5.561 1.00 0.00 C ATOM 601 C PRO A 41 -6.780 -6.240 4.660 1.00 0.00 C ATOM 602 O PRO A 41 -7.458 -6.159 3.642 1.00 0.00 O ATOM 603 CB PRO A 41 -7.774 -7.121 6.761 1.00 0.00 C ATOM 604 CG PRO A 41 -6.885 -7.094 7.939 1.00 0.00 C ATOM 605 CD PRO A 41 -5.679 -7.921 7.605 1.00 0.00 C ATOM 0 HA PRO A 41 -7.265 -8.244 4.932 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -8.275 -6.162 6.629 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -8.553 -7.874 6.878 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -6.595 -6.071 8.179 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -7.395 -7.494 8.815 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.782 -7.539 8.092 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -5.799 -8.956 7.925 1.00 0.00 H new ATOM 613 N GLU A 42 -5.936 -5.310 5.043 1.00 0.00 N ATOM 614 CA GLU A 42 -5.753 -4.103 4.265 1.00 0.00 C ATOM 615 C GLU A 42 -5.033 -4.395 2.959 1.00 0.00 C ATOM 616 O GLU A 42 -5.460 -3.955 1.890 1.00 0.00 O ATOM 617 CB GLU A 42 -4.990 -3.058 5.059 1.00 0.00 C ATOM 618 CG GLU A 42 -5.803 -2.373 6.140 1.00 0.00 C ATOM 619 CD GLU A 42 -6.255 -3.307 7.240 1.00 0.00 C ATOM 620 OE1 GLU A 42 -5.412 -4.057 7.777 1.00 0.00 O ATOM 621 OE2 GLU A 42 -7.457 -3.293 7.570 1.00 0.00 O ATOM 0 H GLU A 42 -5.365 -5.364 5.887 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.742 -3.710 4.031 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.123 -3.531 5.519 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.613 -2.301 4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.208 -1.571 6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.679 -1.909 5.686 1.00 0.00 H new ATOM 628 N TYR A 43 -3.948 -5.144 3.058 1.00 0.00 N ATOM 629 CA TYR A 43 -3.177 -5.534 1.892 1.00 0.00 C ATOM 630 C TYR A 43 -4.055 -6.311 0.912 1.00 0.00 C ATOM 631 O TYR A 43 -4.098 -5.997 -0.276 1.00 0.00 O ATOM 632 CB TYR A 43 -1.967 -6.372 2.325 1.00 0.00 C ATOM 633 CG TYR A 43 -1.202 -6.994 1.174 1.00 0.00 C ATOM 634 CD1 TYR A 43 -1.599 -8.211 0.638 1.00 0.00 C ATOM 635 CD2 TYR A 43 -0.098 -6.359 0.614 1.00 0.00 C ATOM 636 CE1 TYR A 43 -0.921 -8.783 -0.414 1.00 0.00 C ATOM 637 CE2 TYR A 43 0.582 -6.925 -0.447 1.00 0.00 C ATOM 638 CZ TYR A 43 0.166 -8.137 -0.956 1.00 0.00 C ATOM 639 OH TYR A 43 0.833 -8.701 -2.017 1.00 0.00 O ATOM 0 H TYR A 43 -3.580 -5.496 3.942 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.816 -4.639 1.386 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -1.289 -5.741 2.900 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.307 -7.164 2.992 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.456 -8.719 1.054 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.232 -5.411 1.014 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -1.241 -9.735 -0.812 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.435 -6.421 -0.876 1.00 0.00 H new ATOM 0 HH TYR A 43 0.940 -8.035 -2.728 1.00 0.00 H new ATOM 649 N GLN A 44 -4.761 -7.312 1.428 1.00 0.00 N ATOM 650 CA GLN A 44 -5.625 -8.159 0.607 1.00 0.00 C ATOM 651 C GLN A 44 -6.697 -7.335 -0.078 1.00 0.00 C ATOM 652 O GLN A 44 -6.748 -7.246 -1.300 1.00 0.00 O ATOM 653 CB GLN A 44 -6.328 -9.192 1.468 1.00 0.00 C ATOM 654 CG GLN A 44 -5.407 -10.019 2.323 1.00 0.00 C ATOM 655 CD GLN A 44 -4.682 -11.103 1.552 1.00 0.00 C ATOM 656 OE1 GLN A 44 -5.173 -11.605 0.541 1.00 0.00 O ATOM 657 NE2 GLN A 44 -3.519 -11.494 2.045 1.00 0.00 N ATOM 0 H GLN A 44 -4.752 -7.559 2.418 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.990 -8.643 -0.135 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -7.044 -8.683 2.113 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.899 -9.858 0.821 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -4.673 -9.364 2.792 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.983 -10.478 3.126 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -3.147 -11.052 2.885 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -2.994 -12.238 1.585 1.00 0.00 H new ATOM 666 N ASP A 45 -7.552 -6.756 0.756 1.00 0.00 N ATOM 667 CA ASP A 45 -8.717 -5.983 0.312 1.00 0.00 C ATOM 668 C ASP A 45 -8.381 -5.015 -0.817 1.00 0.00 C ATOM 669 O ASP A 45 -9.021 -5.028 -1.865 1.00 0.00 O ATOM 670 CB ASP A 45 -9.316 -5.225 1.496 1.00 0.00 C ATOM 671 CG ASP A 45 -10.596 -4.492 1.150 1.00 0.00 C ATOM 672 OD1 ASP A 45 -11.566 -5.154 0.729 1.00 0.00 O ATOM 673 OD2 ASP A 45 -10.644 -3.260 1.341 1.00 0.00 O ATOM 0 H ASP A 45 -7.460 -6.807 1.771 1.00 0.00 H new ATOM 0 HA ASP A 45 -9.446 -6.690 -0.083 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.515 -5.927 2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.584 -4.508 1.868 1.00 0.00 H new ATOM 678 N TYR A 46 -7.356 -4.205 -0.617 1.00 0.00 N ATOM 679 CA TYR A 46 -6.975 -3.204 -1.608 1.00 0.00 C ATOM 680 C TYR A 46 -6.459 -3.846 -2.876 1.00 0.00 C ATOM 681 O TYR A 46 -6.747 -3.376 -3.980 1.00 0.00 O ATOM 682 CB TYR A 46 -5.934 -2.238 -1.045 1.00 0.00 C ATOM 683 CG TYR A 46 -5.537 -1.154 -2.023 1.00 0.00 C ATOM 684 CD1 TYR A 46 -6.365 -0.065 -2.254 1.00 0.00 C ATOM 685 CD2 TYR A 46 -4.338 -1.225 -2.721 1.00 0.00 C ATOM 686 CE1 TYR A 46 -6.009 0.923 -3.151 1.00 0.00 C ATOM 687 CE2 TYR A 46 -3.977 -0.240 -3.619 1.00 0.00 C ATOM 688 CZ TYR A 46 -4.815 0.831 -3.830 1.00 0.00 C ATOM 689 OH TYR A 46 -4.457 1.816 -4.722 1.00 0.00 O ATOM 0 H TYR A 46 -6.772 -4.218 0.219 1.00 0.00 H new ATOM 0 HA TYR A 46 -7.874 -2.639 -1.855 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.329 -1.775 -0.140 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.046 -2.800 -0.755 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -7.303 0.011 -1.724 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.678 -2.064 -2.559 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.665 1.764 -3.319 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.041 -0.310 -4.153 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.586 1.600 -5.115 1.00 0.00 H new ATOM 699 N VAL A 47 -5.711 -4.917 -2.735 1.00 0.00 N ATOM 700 CA VAL A 47 -5.187 -5.590 -3.899 1.00 0.00 C ATOM 701 C VAL A 47 -6.290 -6.371 -4.615 1.00 0.00 C ATOM 702 O VAL A 47 -6.199 -6.667 -5.805 1.00 0.00 O ATOM 703 CB VAL A 47 -3.998 -6.514 -3.541 1.00 0.00 C ATOM 704 CG1 VAL A 47 -3.604 -7.407 -4.711 1.00 0.00 C ATOM 705 CG2 VAL A 47 -2.805 -5.687 -3.089 1.00 0.00 C ATOM 0 H VAL A 47 -5.455 -5.335 -1.840 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.810 -4.825 -4.578 1.00 0.00 H new ATOM 0 HB VAL A 47 -4.318 -7.160 -2.724 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.766 -8.040 -4.419 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.451 -8.033 -4.992 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.313 -6.788 -5.559 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.976 -6.350 -2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.503 -5.014 -3.892 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.079 -5.103 -2.210 1.00 0.00 H new ATOM 715 N TYR A 48 -7.348 -6.669 -3.894 1.00 0.00 N ATOM 716 CA TYR A 48 -8.489 -7.335 -4.457 1.00 0.00 C ATOM 717 C TYR A 48 -9.310 -6.350 -5.279 1.00 0.00 C ATOM 718 O TYR A 48 -9.589 -6.582 -6.456 1.00 0.00 O ATOM 719 CB TYR A 48 -9.303 -7.920 -3.315 1.00 0.00 C ATOM 720 CG TYR A 48 -10.726 -8.222 -3.665 1.00 0.00 C ATOM 721 CD1 TYR A 48 -11.072 -9.386 -4.325 1.00 0.00 C ATOM 722 CD2 TYR A 48 -11.718 -7.332 -3.323 1.00 0.00 C ATOM 723 CE1 TYR A 48 -12.386 -9.656 -4.638 1.00 0.00 C ATOM 724 CE2 TYR A 48 -13.039 -7.588 -3.627 1.00 0.00 C ATOM 725 CZ TYR A 48 -13.368 -8.753 -4.287 1.00 0.00 C ATOM 726 OH TYR A 48 -14.680 -9.018 -4.593 1.00 0.00 O ATOM 0 H TYR A 48 -7.436 -6.454 -2.901 1.00 0.00 H new ATOM 0 HA TYR A 48 -8.179 -8.138 -5.126 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.822 -8.837 -2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -9.287 -7.222 -2.478 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -10.303 -10.093 -4.599 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -11.458 -6.419 -2.808 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.646 -10.568 -5.155 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -13.808 -6.882 -3.351 1.00 0.00 H new ATOM 0 HH TYR A 48 -15.245 -8.283 -4.276 1.00 0.00 H new ATOM 736 N LEU A 49 -9.688 -5.250 -4.638 1.00 0.00 N ATOM 737 CA LEU A 49 -10.443 -4.184 -5.296 1.00 0.00 C ATOM 738 C LEU A 49 -9.664 -3.623 -6.471 1.00 0.00 C ATOM 739 O LEU A 49 -10.108 -3.659 -7.621 1.00 0.00 O ATOM 740 CB LEU A 49 -10.702 -3.030 -4.330 1.00 0.00 C ATOM 741 CG LEU A 49 -11.247 -3.412 -2.970 1.00 0.00 C ATOM 742 CD1 LEU A 49 -11.267 -2.195 -2.057 1.00 0.00 C ATOM 743 CD2 LEU A 49 -12.639 -4.009 -3.087 1.00 0.00 C ATOM 0 H LEU A 49 -9.483 -5.070 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.384 -4.618 -5.633 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -9.768 -2.487 -4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -11.403 -2.340 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.593 -4.170 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -11.660 -2.479 -1.081 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -10.254 -1.810 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.901 -1.423 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -13.006 -4.274 -2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -13.311 -3.280 -3.539 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -12.601 -4.902 -3.710 1.00 0.00 H new ATOM 755 N GLU A 50 -8.497 -3.095 -6.154 1.00 0.00 N ATOM 756 CA GLU A 50 -7.686 -2.374 -7.129 1.00 0.00 C ATOM 757 C GLU A 50 -6.685 -3.288 -7.813 1.00 0.00 C ATOM 758 O GLU A 50 -6.718 -3.470 -9.030 1.00 0.00 O ATOM 759 CB GLU A 50 -6.952 -1.225 -6.448 1.00 0.00 C ATOM 760 CG GLU A 50 -7.876 -0.272 -5.716 1.00 0.00 C ATOM 761 CD GLU A 50 -8.731 0.561 -6.650 1.00 0.00 C ATOM 762 OE1 GLU A 50 -8.840 0.213 -7.844 1.00 0.00 O ATOM 763 OE2 GLU A 50 -9.306 1.571 -6.196 1.00 0.00 O ATOM 0 H GLU A 50 -8.083 -3.150 -5.223 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.358 -1.981 -7.892 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.229 -1.633 -5.742 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.388 -0.669 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.524 -0.843 -5.051 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.281 0.392 -5.089 1.00 0.00 H new ATOM 770 N GLY A 51 -5.772 -3.831 -7.033 1.00 0.00 N ATOM 771 CA GLY A 51 -4.817 -4.775 -7.573 1.00 0.00 C ATOM 772 C GLY A 51 -3.410 -4.528 -7.080 1.00 0.00 C ATOM 773 O GLY A 51 -3.130 -3.488 -6.482 1.00 0.00 O ATOM 0 H GLY A 51 -5.672 -3.638 -6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.120 -5.787 -7.303 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.832 -4.718 -8.661 1.00 0.00 H new ATOM 777 N THR A 52 -2.529 -5.486 -7.334 1.00 0.00 N ATOM 778 CA THR A 52 -1.136 -5.385 -6.931 1.00 0.00 C ATOM 779 C THR A 52 -0.404 -4.302 -7.715 1.00 0.00 C ATOM 780 O THR A 52 0.631 -3.817 -7.285 1.00 0.00 O ATOM 781 CB THR A 52 -0.419 -6.732 -7.122 1.00 0.00 C ATOM 782 OG1 THR A 52 -1.186 -7.564 -8.007 1.00 0.00 O ATOM 783 CG2 THR A 52 -0.211 -7.440 -5.791 1.00 0.00 C ATOM 0 H THR A 52 -2.760 -6.351 -7.823 1.00 0.00 H new ATOM 0 HA THR A 52 -1.122 -5.114 -5.875 1.00 0.00 H new ATOM 0 HB THR A 52 0.562 -6.541 -7.557 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.727 -8.421 -8.129 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.298 -8.389 -5.959 1.00 0.00 H new ATOM 0 HG22 THR A 52 0.396 -6.814 -5.137 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.178 -7.625 -5.322 1.00 0.00 H new ATOM 791 N GLN A 53 -0.953 -3.921 -8.861 1.00 0.00 N ATOM 792 CA GLN A 53 -0.345 -2.902 -9.694 1.00 0.00 C ATOM 793 C GLN A 53 -0.521 -1.519 -9.077 1.00 0.00 C ATOM 794 O GLN A 53 0.449 -0.791 -8.887 1.00 0.00 O ATOM 795 CB GLN A 53 -0.956 -2.944 -11.091 1.00 0.00 C ATOM 796 CG GLN A 53 -0.777 -4.268 -11.798 1.00 0.00 C ATOM 797 CD GLN A 53 0.681 -4.629 -12.006 1.00 0.00 C ATOM 798 OE1 GLN A 53 1.297 -5.297 -11.172 1.00 0.00 O ATOM 799 NE2 GLN A 53 1.248 -4.171 -13.109 1.00 0.00 N ATOM 0 H GLN A 53 -1.821 -4.306 -9.232 1.00 0.00 H new ATOM 0 HA GLN A 53 0.724 -3.104 -9.766 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.021 -2.723 -11.018 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.508 -2.156 -11.697 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -1.262 -5.053 -11.218 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.279 -4.230 -12.765 1.00 0.00 H new ATOM 0 HE21 GLN A 53 0.702 -3.622 -13.773 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.231 -4.367 -13.296 1.00 0.00 H new ATOM 808 N LYS A 54 -1.757 -1.169 -8.754 1.00 0.00 N ATOM 809 CA LYS A 54 -2.043 0.096 -8.089 1.00 0.00 C ATOM 810 C LYS A 54 -1.417 0.140 -6.710 1.00 0.00 C ATOM 811 O LYS A 54 -0.926 1.172 -6.271 1.00 0.00 O ATOM 812 CB LYS A 54 -3.521 0.307 -7.994 1.00 0.00 C ATOM 813 CG LYS A 54 -4.158 0.521 -9.328 1.00 0.00 C ATOM 814 CD LYS A 54 -5.530 1.121 -9.169 1.00 0.00 C ATOM 815 CE LYS A 54 -6.454 0.736 -10.313 1.00 0.00 C ATOM 816 NZ LYS A 54 -7.849 1.193 -10.080 1.00 0.00 N ATOM 0 H LYS A 54 -2.579 -1.743 -8.941 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.608 0.899 -8.684 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.977 -0.558 -7.512 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -3.721 1.169 -7.358 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.535 1.179 -9.933 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.229 -0.428 -9.860 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.964 0.790 -8.225 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.448 2.207 -9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.081 1.169 -11.241 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.443 -0.347 -10.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.484 0.729 -10.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -8.138 0.946 -9.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.902 2.224 -10.204 1.00 0.00 H new ATOM 830 N ALA A 55 -1.447 -0.995 -6.039 1.00 0.00 N ATOM 831 CA ALA A 55 -0.803 -1.148 -4.739 1.00 0.00 C ATOM 832 C ALA A 55 0.711 -1.014 -4.864 1.00 0.00 C ATOM 833 O ALA A 55 1.377 -0.546 -3.939 1.00 0.00 O ATOM 834 CB ALA A 55 -1.173 -2.497 -4.148 1.00 0.00 C ATOM 0 H ALA A 55 -1.915 -1.837 -6.374 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.153 -0.357 -4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.692 -2.613 -3.177 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.255 -2.557 -4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.838 -3.291 -4.815 1.00 0.00 H new ATOM 840 N LYS A 56 1.251 -1.407 -6.012 1.00 0.00 N ATOM 841 CA LYS A 56 2.657 -1.283 -6.265 1.00 0.00 C ATOM 842 C LYS A 56 3.000 0.178 -6.473 1.00 0.00 C ATOM 843 O LYS A 56 3.891 0.711 -5.822 1.00 0.00 O ATOM 844 CB LYS A 56 3.020 -2.102 -7.492 1.00 0.00 C ATOM 845 CG LYS A 56 4.499 -2.141 -7.754 1.00 0.00 C ATOM 846 CD LYS A 56 4.859 -3.177 -8.806 1.00 0.00 C ATOM 847 CE LYS A 56 6.357 -3.249 -9.053 1.00 0.00 C ATOM 848 NZ LYS A 56 6.670 -4.112 -10.222 1.00 0.00 N ATOM 0 H LYS A 56 0.719 -1.816 -6.780 1.00 0.00 H new ATOM 0 HA LYS A 56 3.227 -1.658 -5.415 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.652 -3.120 -7.365 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.513 -1.686 -8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.836 -1.158 -8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.026 -2.366 -6.827 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.498 -4.155 -8.489 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.350 -2.936 -9.739 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.748 -2.246 -9.223 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.856 -3.639 -8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.700 -4.142 -10.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.317 -5.074 -10.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.213 -3.724 -11.072 1.00 0.00 H new ATOM 862 N LYS A 57 2.266 0.823 -7.374 1.00 0.00 N ATOM 863 CA LYS A 57 2.368 2.248 -7.581 1.00 0.00 C ATOM 864 C LYS A 57 2.198 2.998 -6.263 1.00 0.00 C ATOM 865 O LYS A 57 2.900 3.972 -5.994 1.00 0.00 O ATOM 866 CB LYS A 57 1.283 2.658 -8.568 1.00 0.00 C ATOM 867 CG LYS A 57 1.725 2.686 -10.012 1.00 0.00 C ATOM 868 CD LYS A 57 2.007 1.295 -10.503 1.00 0.00 C ATOM 869 CE LYS A 57 2.587 1.296 -11.891 1.00 0.00 C ATOM 870 NZ LYS A 57 2.291 0.033 -12.613 1.00 0.00 N ATOM 0 H LYS A 57 1.585 0.364 -7.978 1.00 0.00 H new ATOM 0 HA LYS A 57 3.353 2.497 -7.976 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.444 1.969 -8.472 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.916 3.647 -8.295 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.951 3.145 -10.627 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.619 3.302 -10.113 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.700 0.803 -9.821 1.00 0.00 H new ATOM 0 HD3 LYS A 57 1.085 0.714 -10.495 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.184 2.139 -12.453 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.666 1.438 -11.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.707 0.072 -13.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.697 -0.769 -12.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.261 -0.090 -12.690 1.00 0.00 H new ATOM 884 N LEU A 58 1.260 2.525 -5.451 1.00 0.00 N ATOM 885 CA LEU A 58 1.007 3.094 -4.137 1.00 0.00 C ATOM 886 C LEU A 58 2.253 2.978 -3.258 1.00 0.00 C ATOM 887 O LEU A 58 2.643 3.934 -2.580 1.00 0.00 O ATOM 888 CB LEU A 58 -0.179 2.376 -3.483 1.00 0.00 C ATOM 889 CG LEU A 58 -0.760 3.051 -2.255 1.00 0.00 C ATOM 890 CD1 LEU A 58 -0.539 4.561 -2.307 1.00 0.00 C ATOM 891 CD2 LEU A 58 -2.243 2.750 -2.166 1.00 0.00 C ATOM 0 H LEU A 58 0.656 1.738 -5.686 1.00 0.00 H new ATOM 0 HA LEU A 58 0.764 4.151 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.970 2.270 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.136 1.370 -3.207 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.253 2.662 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.964 5.022 -1.416 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.530 4.771 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.024 4.969 -3.193 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.660 3.235 -1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.745 3.125 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.392 1.673 -2.092 1.00 0.00 H new ATOM 903 N PHE A 59 2.863 1.800 -3.268 1.00 0.00 N ATOM 904 CA PHE A 59 4.140 1.590 -2.599 1.00 0.00 C ATOM 905 C PHE A 59 5.178 2.609 -3.081 1.00 0.00 C ATOM 906 O PHE A 59 5.803 3.291 -2.266 1.00 0.00 O ATOM 907 CB PHE A 59 4.620 0.146 -2.826 1.00 0.00 C ATOM 908 CG PHE A 59 6.086 -0.069 -2.579 1.00 0.00 C ATOM 909 CD1 PHE A 59 6.571 -0.147 -1.287 1.00 0.00 C ATOM 910 CD2 PHE A 59 6.980 -0.203 -3.635 1.00 0.00 C ATOM 911 CE1 PHE A 59 7.914 -0.347 -1.048 1.00 0.00 C ATOM 912 CE2 PHE A 59 8.325 -0.403 -3.399 1.00 0.00 C ATOM 913 CZ PHE A 59 8.792 -0.476 -2.104 1.00 0.00 C ATOM 0 H PHE A 59 2.492 0.972 -3.734 1.00 0.00 H new ATOM 0 HA PHE A 59 4.009 1.741 -1.527 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.053 -0.519 -2.174 1.00 0.00 H new ATOM 0 HB3 PHE A 59 4.391 -0.143 -3.852 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.890 -0.050 -0.455 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.618 -0.150 -4.651 1.00 0.00 H new ATOM 0 HE1 PHE A 59 8.279 -0.403 -0.033 1.00 0.00 H new ATOM 0 HE2 PHE A 59 9.011 -0.502 -4.228 1.00 0.00 H new ATOM 0 HZ PHE A 59 9.844 -0.634 -1.917 1.00 0.00 H new ATOM 923 N LEU A 60 5.325 2.727 -4.401 1.00 0.00 N ATOM 924 CA LEU A 60 6.253 3.685 -5.016 1.00 0.00 C ATOM 925 C LEU A 60 6.059 5.090 -4.463 1.00 0.00 C ATOM 926 O LEU A 60 7.021 5.775 -4.104 1.00 0.00 O ATOM 927 CB LEU A 60 6.032 3.748 -6.526 1.00 0.00 C ATOM 928 CG LEU A 60 6.792 2.756 -7.377 1.00 0.00 C ATOM 929 CD1 LEU A 60 8.285 3.015 -7.307 1.00 0.00 C ATOM 930 CD2 LEU A 60 6.487 1.321 -6.988 1.00 0.00 C ATOM 0 H LEU A 60 4.807 2.164 -5.075 1.00 0.00 H new ATOM 0 HA LEU A 60 7.260 3.337 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.968 3.612 -6.718 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.291 4.751 -6.864 1.00 0.00 H new ATOM 0 HG LEU A 60 6.459 2.897 -8.405 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.810 2.288 -7.927 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.497 4.021 -7.668 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.622 2.922 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.055 0.643 -7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.766 1.159 -5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.421 1.129 -7.112 1.00 0.00 H new ATOM 942 N GLN A 61 4.810 5.520 -4.459 1.00 0.00 N ATOM 943 CA GLN A 61 4.427 6.826 -3.941 1.00 0.00 C ATOM 944 C GLN A 61 4.966 7.067 -2.558 1.00 0.00 C ATOM 945 O GLN A 61 5.788 7.954 -2.346 1.00 0.00 O ATOM 946 CB GLN A 61 2.925 6.931 -3.860 1.00 0.00 C ATOM 947 CG GLN A 61 2.222 6.866 -5.181 1.00 0.00 C ATOM 948 CD GLN A 61 2.598 7.995 -6.101 1.00 0.00 C ATOM 949 OE1 GLN A 61 2.031 9.085 -6.031 1.00 0.00 O ATOM 950 NE2 GLN A 61 3.528 7.736 -6.992 1.00 0.00 N ATOM 0 H GLN A 61 4.027 4.972 -4.816 1.00 0.00 H new ATOM 0 HA GLN A 61 4.842 7.565 -4.626 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.552 6.128 -3.225 1.00 0.00 H new ATOM 0 HB3 GLN A 61 2.666 7.870 -3.371 1.00 0.00 H new ATOM 0 HG2 GLN A 61 2.455 5.917 -5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.145 6.883 -5.015 1.00 0.00 H new ATOM 0 HE21 GLN A 61 3.972 6.818 -7.014 1.00 0.00 H new ATOM 0 HE22 GLN A 61 3.806 8.453 -7.662 1.00 0.00 H new ATOM 959 N HIS A 62 4.457 6.301 -1.616 1.00 0.00 N ATOM 960 CA HIS A 62 4.882 6.428 -0.227 1.00 0.00 C ATOM 961 C HIS A 62 6.393 6.332 -0.111 1.00 0.00 C ATOM 962 O HIS A 62 6.984 7.034 0.698 1.00 0.00 O ATOM 963 CB HIS A 62 4.210 5.382 0.658 1.00 0.00 C ATOM 964 CG HIS A 62 4.563 5.544 2.103 1.00 0.00 C ATOM 965 ND1 HIS A 62 4.208 6.498 2.998 1.00 0.00 N flip ATOM 966 CD2 HIS A 62 5.395 4.679 2.776 1.00 0.00 C flip ATOM 967 CE1 HIS A 62 4.827 6.195 4.180 1.00 0.00 C flip ATOM 968 NE2 HIS A 62 5.535 5.094 4.022 1.00 0.00 N flip ATOM 0 H HIS A 62 3.750 5.584 -1.780 1.00 0.00 H new ATOM 0 HA HIS A 62 4.572 7.413 0.122 1.00 0.00 H new ATOM 0 HB2 HIS A 62 3.129 5.452 0.541 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.503 4.386 0.325 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.594 7.293 2.823 1.00 0.00 H new ATOM 0 HD2 HIS A 62 5.860 3.801 2.353 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.748 6.765 5.094 1.00 0.00 H new ATOM 977 N ILE A 63 7.013 5.486 -0.924 1.00 0.00 N ATOM 978 CA ILE A 63 8.465 5.446 -0.998 1.00 0.00 C ATOM 979 C ILE A 63 9.010 6.834 -1.259 1.00 0.00 C ATOM 980 O ILE A 63 9.848 7.325 -0.524 1.00 0.00 O ATOM 981 CB ILE A 63 8.949 4.500 -2.093 1.00 0.00 C ATOM 982 CG1 ILE A 63 8.713 3.075 -1.646 1.00 0.00 C ATOM 983 CG2 ILE A 63 10.423 4.736 -2.399 1.00 0.00 C ATOM 984 CD1 ILE A 63 9.687 2.597 -0.603 1.00 0.00 C ATOM 0 H ILE A 63 6.536 4.824 -1.536 1.00 0.00 H new ATOM 0 HA ILE A 63 8.831 5.076 -0.040 1.00 0.00 H new ATOM 0 HB ILE A 63 8.391 4.689 -3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.701 2.991 -1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 63 8.772 2.417 -2.513 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.746 4.051 -3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 63 10.565 5.763 -2.734 1.00 0.00 H new ATOM 0 HG23 ILE A 63 11.014 4.563 -1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 63 9.454 1.567 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.700 2.647 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.613 3.230 0.281 1.00 0.00 H new ATOM 996 N HIS A 64 8.457 7.477 -2.270 1.00 0.00 N ATOM 997 CA HIS A 64 8.869 8.813 -2.679 1.00 0.00 C ATOM 998 C HIS A 64 8.678 9.774 -1.529 1.00 0.00 C ATOM 999 O HIS A 64 9.510 10.626 -1.281 1.00 0.00 O ATOM 1000 CB HIS A 64 8.002 9.206 -3.892 1.00 0.00 C ATOM 1001 CG HIS A 64 7.930 10.649 -4.190 1.00 0.00 C ATOM 1002 ND1 HIS A 64 7.591 11.521 -3.233 1.00 0.00 N ATOM 1003 CD2 HIS A 64 8.186 11.368 -5.303 1.00 0.00 C ATOM 1004 CE1 HIS A 64 7.648 12.749 -3.704 1.00 0.00 C ATOM 1005 NE2 HIS A 64 8.001 12.687 -4.976 1.00 0.00 N ATOM 0 H HIS A 64 7.704 7.087 -2.837 1.00 0.00 H new ATOM 0 HA HIS A 64 9.923 8.841 -2.956 1.00 0.00 H new ATOM 0 HB2 HIS A 64 8.388 8.691 -4.772 1.00 0.00 H new ATOM 0 HB3 HIS A 64 6.990 8.838 -3.726 1.00 0.00 H new ATOM 0 HD2 HIS A 64 8.480 10.979 -6.267 1.00 0.00 H new ATOM 0 HE1 HIS A 64 7.442 13.651 -3.147 1.00 0.00 H new ATOM 0 HE2 HIS A 64 8.116 13.482 -5.605 1.00 0.00 H new ATOM 1014 N ARG A 65 7.534 9.678 -0.904 1.00 0.00 N ATOM 1015 CA ARG A 65 7.200 10.478 0.248 1.00 0.00 C ATOM 1016 C ARG A 65 8.215 10.307 1.374 1.00 0.00 C ATOM 1017 O ARG A 65 8.698 11.283 1.944 1.00 0.00 O ATOM 1018 CB ARG A 65 5.833 10.075 0.676 1.00 0.00 C ATOM 1019 CG ARG A 65 4.851 10.107 -0.463 1.00 0.00 C ATOM 1020 CD ARG A 65 4.964 11.381 -1.271 1.00 0.00 C ATOM 1021 NE ARG A 65 3.732 11.669 -1.998 1.00 0.00 N ATOM 1022 CZ ARG A 65 3.336 12.887 -2.371 1.00 0.00 C ATOM 1023 NH1 ARG A 65 4.079 13.956 -2.096 1.00 0.00 N ATOM 1024 NH2 ARG A 65 2.186 13.030 -3.017 1.00 0.00 N ATOM 0 H ARG A 65 6.796 9.032 -1.184 1.00 0.00 H new ATOM 0 HA ARG A 65 7.224 11.537 -0.008 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.867 9.070 1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.491 10.741 1.468 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.021 9.249 -1.113 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.838 10.014 -0.071 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.198 12.213 -0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.791 11.293 -1.976 1.00 0.00 H new ATOM 0 HE ARG A 65 3.130 10.882 -2.238 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.961 13.849 -1.595 1.00 0.00 H new ATOM 0 HH12 ARG A 65 3.766 14.883 -2.386 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.613 12.212 -3.225 1.00 0.00 H new ATOM 0 HH22 ARG A 65 1.875 13.958 -3.306 1.00 0.00 H new ATOM 1038 N LEU A 66 8.507 9.052 1.682 1.00 0.00 N ATOM 1039 CA LEU A 66 9.618 8.673 2.562 1.00 0.00 C ATOM 1040 C LEU A 66 10.885 9.407 2.173 1.00 0.00 C ATOM 1041 O LEU A 66 11.572 10.004 3.002 1.00 0.00 O ATOM 1042 CB LEU A 66 9.834 7.167 2.428 1.00 0.00 C ATOM 1043 CG LEU A 66 8.677 6.330 2.896 1.00 0.00 C ATOM 1044 CD1 LEU A 66 8.934 4.864 2.611 1.00 0.00 C ATOM 1045 CD2 LEU A 66 8.438 6.562 4.367 1.00 0.00 C ATOM 0 H LEU A 66 7.978 8.255 1.328 1.00 0.00 H new ATOM 0 HA LEU A 66 9.378 8.938 3.592 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.037 6.933 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.722 6.888 2.995 1.00 0.00 H new ATOM 0 HG LEU A 66 7.781 6.624 2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 66 8.086 4.272 2.956 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.065 4.719 1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.836 4.545 3.133 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.598 5.952 4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.331 6.287 4.928 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.212 7.615 4.537 1.00 0.00 H new ATOM 1057 N LYS A 67 11.169 9.333 0.897 1.00 0.00 N ATOM 1058 CA LYS A 67 12.320 9.967 0.299 1.00 0.00 C ATOM 1059 C LYS A 67 12.276 11.483 0.447 1.00 0.00 C ATOM 1060 O LYS A 67 13.199 12.106 0.978 1.00 0.00 O ATOM 1061 CB LYS A 67 12.325 9.591 -1.176 1.00 0.00 C ATOM 1062 CG LYS A 67 12.328 8.113 -1.401 1.00 0.00 C ATOM 1063 CD LYS A 67 12.682 7.729 -2.817 1.00 0.00 C ATOM 1064 CE LYS A 67 12.184 8.741 -3.834 1.00 0.00 C ATOM 1065 NZ LYS A 67 12.235 8.210 -5.217 1.00 0.00 N ATOM 0 H LYS A 67 10.594 8.819 0.229 1.00 0.00 H new ATOM 0 HA LYS A 67 13.225 9.627 0.802 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.450 10.025 -1.659 1.00 0.00 H new ATOM 0 HB3 LYS A 67 13.202 10.028 -1.654 1.00 0.00 H new ATOM 0 HG2 LYS A 67 13.039 7.649 -0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.344 7.713 -1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.764 7.633 -2.905 1.00 0.00 H new ATOM 0 HD3 LYS A 67 12.256 6.752 -3.043 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.160 9.024 -3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 67 12.788 9.646 -3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 11.887 8.932 -5.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 13.216 7.964 -5.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.638 7.361 -5.285 1.00 0.00 H new