USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.126 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.131 USER MOD Single : A 20 THR OG1 : rot -9:sc= 1.06 USER MOD Single : A 22 HIS : no HD1:sc= -9.56! C(o=-9.6!,f=-21!) USER MOD Single : A 23 LYS NZ :NH3+ -132:sc= 0.391 (180deg=-0.494) USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= -0.0174 (180deg=-0.295) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot -130:sc= -0.0416 USER MOD Single : A 42 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0389) USER MOD Single : A 45 MET CE :methyl 166:sc= -0.0602 (180deg=-0.522) USER MOD Single : A 60 LYS NZ :NH3+ 157:sc= -0.0175 (180deg=-0.262) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 23:sc= 0.685 USER MOD Single : A 68 SER OG : rot -110:sc= -2.22! USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N ILE A 2 -8.848 8.280 -0.172 1.00 0.00 N ATOM 14 CA ILE A 2 -7.613 7.668 0.393 1.00 0.00 C ATOM 15 C ILE A 2 -6.545 7.579 -0.698 1.00 0.00 C ATOM 16 O ILE A 2 -6.653 6.802 -1.626 1.00 0.00 O ATOM 17 CB ILE A 2 -7.931 6.265 0.912 1.00 0.00 C ATOM 18 CG1 ILE A 2 -9.100 6.339 1.897 1.00 0.00 C ATOM 19 CG2 ILE A 2 -6.703 5.693 1.622 1.00 0.00 C ATOM 20 CD1 ILE A 2 -8.652 7.062 3.167 1.00 0.00 C ATOM 0 HA ILE A 2 -7.244 8.283 1.214 1.00 0.00 H new ATOM 0 HB ILE A 2 -8.200 5.621 0.075 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -9.939 6.866 1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -9.448 5.335 2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.930 4.693 1.992 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.869 5.641 0.922 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.434 6.337 2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -9.485 7.115 3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -7.826 6.517 3.624 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -8.325 8.071 2.915 1.00 0.00 H new ATOM 32 N ASP A 3 -5.511 8.370 -0.595 1.00 0.00 N ATOM 33 CA ASP A 3 -4.436 8.328 -1.626 1.00 0.00 C ATOM 34 C ASP A 3 -3.382 7.295 -1.225 1.00 0.00 C ATOM 35 O ASP A 3 -2.893 7.293 -0.112 1.00 0.00 O ATOM 36 CB ASP A 3 -3.783 9.707 -1.736 1.00 0.00 C ATOM 37 CG ASP A 3 -2.902 9.758 -2.986 1.00 0.00 C ATOM 38 OD1 ASP A 3 -1.844 9.152 -2.966 1.00 0.00 O ATOM 39 OD2 ASP A 3 -3.302 10.402 -3.942 1.00 0.00 O ATOM 0 H ASP A 3 -5.365 9.042 0.158 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.866 8.051 -2.588 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -4.549 10.481 -1.787 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -3.184 9.909 -0.848 1.00 0.00 H new ATOM 44 N ILE A 4 -3.027 6.417 -2.122 1.00 0.00 N ATOM 45 CA ILE A 4 -2.005 5.385 -1.791 1.00 0.00 C ATOM 46 C ILE A 4 -0.677 5.750 -2.458 1.00 0.00 C ATOM 47 O ILE A 4 -0.618 6.012 -3.642 1.00 0.00 O ATOM 48 CB ILE A 4 -2.473 4.020 -2.301 1.00 0.00 C ATOM 49 CG1 ILE A 4 -3.736 3.600 -1.545 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.372 2.983 -2.072 1.00 0.00 C ATOM 51 CD1 ILE A 4 -4.896 3.450 -2.530 1.00 0.00 C ATOM 0 H ILE A 4 -3.401 6.370 -3.070 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.870 5.342 -0.710 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.692 4.086 -3.367 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.564 2.658 -1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -3.983 4.343 -0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -1.706 2.011 -2.435 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.473 3.282 -2.610 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.152 2.916 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.795 3.151 -1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.073 4.402 -3.031 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.648 2.690 -3.271 1.00 0.00 H new ATOM 63 N LYS A 5 0.389 5.769 -1.705 1.00 0.00 N ATOM 64 CA LYS A 5 1.712 6.117 -2.297 1.00 0.00 C ATOM 65 C LYS A 5 2.746 5.066 -1.888 1.00 0.00 C ATOM 66 O LYS A 5 2.459 4.161 -1.131 1.00 0.00 O ATOM 67 CB LYS A 5 2.153 7.491 -1.786 1.00 0.00 C ATOM 68 CG LYS A 5 1.226 8.568 -2.353 1.00 0.00 C ATOM 69 CD LYS A 5 1.245 9.792 -1.436 1.00 0.00 C ATOM 70 CE LYS A 5 2.623 10.454 -1.495 1.00 0.00 C ATOM 71 NZ LYS A 5 2.563 11.788 -0.834 1.00 0.00 N ATOM 0 H LYS A 5 0.401 5.559 -0.707 1.00 0.00 H new ATOM 0 HA LYS A 5 1.629 6.142 -3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.127 7.511 -0.696 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.183 7.688 -2.084 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.547 8.847 -3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.211 8.181 -2.439 1.00 0.00 H new ATOM 0 HD2 LYS A 5 0.476 10.501 -1.743 1.00 0.00 H new ATOM 0 HD3 LYS A 5 1.016 9.496 -0.412 1.00 0.00 H new ATOM 0 HE2 LYS A 5 3.362 9.824 -1.000 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.941 10.564 -2.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 3.500 12.238 -0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.870 12.388 -1.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.278 11.671 0.159 1.00 0.00 H new ATOM 85 N ALA A 6 3.948 5.179 -2.385 1.00 0.00 N ATOM 86 CA ALA A 6 4.999 4.186 -2.025 1.00 0.00 C ATOM 87 C ALA A 6 5.662 4.599 -0.708 1.00 0.00 C ATOM 88 O ALA A 6 5.640 5.757 -0.342 1.00 0.00 O ATOM 89 CB ALA A 6 6.053 4.134 -3.133 1.00 0.00 C ATOM 0 H ALA A 6 4.247 5.916 -3.024 1.00 0.00 H new ATOM 0 HA ALA A 6 4.545 3.202 -1.910 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.822 3.408 -2.870 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.581 3.839 -4.070 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.508 5.118 -3.249 1.00 0.00 H new ATOM 95 N PRO A 7 6.233 3.633 -0.035 1.00 0.00 N ATOM 96 CA PRO A 7 6.917 3.856 1.251 1.00 0.00 C ATOM 97 C PRO A 7 8.303 4.465 1.020 1.00 0.00 C ATOM 98 O PRO A 7 9.051 4.027 0.169 1.00 0.00 O ATOM 99 CB PRO A 7 7.030 2.450 1.845 1.00 0.00 C ATOM 100 CG PRO A 7 6.932 1.464 0.657 1.00 0.00 C ATOM 101 CD PRO A 7 6.251 2.228 -0.495 1.00 0.00 C ATOM 0 HA PRO A 7 6.387 4.548 1.905 1.00 0.00 H new ATOM 0 HB2 PRO A 7 7.975 2.327 2.375 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.234 2.268 2.567 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.921 1.116 0.360 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.354 0.582 0.932 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.806 2.121 -1.427 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.243 1.856 -0.679 1.00 0.00 H new ATOM 109 N THR A 8 8.651 5.473 1.773 1.00 0.00 N ATOM 110 CA THR A 8 9.987 6.108 1.596 1.00 0.00 C ATOM 111 C THR A 8 11.058 5.021 1.480 1.00 0.00 C ATOM 112 O THR A 8 11.307 4.280 2.411 1.00 0.00 O ATOM 113 CB THR A 8 10.292 6.999 2.804 1.00 0.00 C ATOM 114 OG1 THR A 8 9.073 7.443 3.382 1.00 0.00 O ATOM 115 CG2 THR A 8 11.116 8.206 2.355 1.00 0.00 C ATOM 0 H THR A 8 8.068 5.884 2.502 1.00 0.00 H new ATOM 0 HA THR A 8 9.985 6.713 0.689 1.00 0.00 H new ATOM 0 HB THR A 8 10.858 6.431 3.542 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.266 8.012 4.156 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.332 8.839 3.215 1.00 0.00 H new ATOM 0 HG22 THR A 8 12.051 7.864 1.912 1.00 0.00 H new ATOM 0 HG23 THR A 8 10.553 8.777 1.617 1.00 0.00 H new ATOM 123 N PHE A 9 11.694 4.921 0.346 1.00 0.00 N ATOM 124 CA PHE A 9 12.748 3.883 0.172 1.00 0.00 C ATOM 125 C PHE A 9 13.911 4.170 1.128 1.00 0.00 C ATOM 126 O PHE A 9 14.179 5.311 1.448 1.00 0.00 O ATOM 127 CB PHE A 9 13.257 3.908 -1.271 1.00 0.00 C ATOM 128 CG PHE A 9 12.229 3.274 -2.178 1.00 0.00 C ATOM 129 CD1 PHE A 9 12.232 1.887 -2.379 1.00 0.00 C ATOM 130 CD2 PHE A 9 11.272 4.073 -2.819 1.00 0.00 C ATOM 131 CE1 PHE A 9 11.278 1.300 -3.220 1.00 0.00 C ATOM 132 CE2 PHE A 9 10.319 3.484 -3.660 1.00 0.00 C ATOM 133 CZ PHE A 9 10.321 2.098 -3.861 1.00 0.00 C ATOM 0 H PHE A 9 11.529 5.513 -0.468 1.00 0.00 H new ATOM 0 HA PHE A 9 12.329 2.901 0.393 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.449 4.935 -1.583 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.203 3.371 -1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 9 12.969 1.271 -1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 9 11.269 5.142 -2.665 1.00 0.00 H new ATOM 0 HE1 PHE A 9 11.280 0.231 -3.375 1.00 0.00 H new ATOM 0 HE2 PHE A 9 9.582 4.100 -4.154 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.586 1.645 -4.509 1.00 0.00 H new ATOM 143 N PRO A 10 14.565 3.120 1.554 1.00 0.00 N ATOM 144 CA PRO A 10 15.708 3.218 2.478 1.00 0.00 C ATOM 145 C PRO A 10 16.970 3.652 1.723 1.00 0.00 C ATOM 146 O PRO A 10 16.970 3.775 0.515 1.00 0.00 O ATOM 147 CB PRO A 10 15.857 1.793 3.016 1.00 0.00 C ATOM 148 CG PRO A 10 15.189 0.862 1.977 1.00 0.00 C ATOM 149 CD PRO A 10 14.226 1.739 1.154 1.00 0.00 C ATOM 0 HA PRO A 10 15.559 3.953 3.269 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.908 1.536 3.149 1.00 0.00 H new ATOM 0 HB3 PRO A 10 15.379 1.694 3.991 1.00 0.00 H new ATOM 0 HG2 PRO A 10 15.937 0.400 1.334 1.00 0.00 H new ATOM 0 HG3 PRO A 10 14.650 0.054 2.471 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.366 1.588 0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.185 1.504 1.376 1.00 0.00 H new ATOM 157 N GLU A 11 18.043 3.883 2.428 1.00 0.00 N ATOM 158 CA GLU A 11 19.301 4.308 1.750 1.00 0.00 C ATOM 159 C GLU A 11 19.826 3.161 0.884 1.00 0.00 C ATOM 160 O GLU A 11 20.047 3.317 -0.300 1.00 0.00 O ATOM 161 CB GLU A 11 20.349 4.673 2.804 1.00 0.00 C ATOM 162 CG GLU A 11 21.583 5.260 2.116 1.00 0.00 C ATOM 163 CD GLU A 11 22.306 6.201 3.081 1.00 0.00 C ATOM 164 OE1 GLU A 11 21.695 6.600 4.059 1.00 0.00 O ATOM 165 OE2 GLU A 11 23.459 6.507 2.825 1.00 0.00 O ATOM 0 H GLU A 11 18.104 3.796 3.442 1.00 0.00 H new ATOM 0 HA GLU A 11 19.100 5.175 1.121 1.00 0.00 H new ATOM 0 HB2 GLU A 11 19.935 5.394 3.509 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.626 3.789 3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.253 4.459 1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 11 21.288 5.801 1.216 1.00 0.00 H new ATOM 172 N SER A 12 20.030 2.010 1.468 1.00 0.00 N ATOM 173 CA SER A 12 20.542 0.853 0.683 1.00 0.00 C ATOM 174 C SER A 12 19.819 0.787 -0.664 1.00 0.00 C ATOM 175 O SER A 12 20.417 0.521 -1.687 1.00 0.00 O ATOM 176 CB SER A 12 20.292 -0.440 1.460 1.00 0.00 C ATOM 177 OG SER A 12 20.841 -1.534 0.738 1.00 0.00 O ATOM 0 H SER A 12 19.863 1.823 2.457 1.00 0.00 H new ATOM 0 HA SER A 12 21.612 0.975 0.514 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.746 -0.377 2.449 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.222 -0.588 1.609 1.00 0.00 H new ATOM 0 HG SER A 12 20.684 -2.365 1.234 1.00 0.00 H new ATOM 183 N ILE A 13 18.536 1.026 -0.672 1.00 0.00 N ATOM 184 CA ILE A 13 17.776 0.977 -1.953 1.00 0.00 C ATOM 185 C ILE A 13 17.686 2.384 -2.546 1.00 0.00 C ATOM 186 O ILE A 13 17.716 3.370 -1.836 1.00 0.00 O ATOM 187 CB ILE A 13 16.367 0.442 -1.689 1.00 0.00 C ATOM 188 CG1 ILE A 13 16.454 -0.809 -0.812 1.00 0.00 C ATOM 189 CG2 ILE A 13 15.701 0.084 -3.019 1.00 0.00 C ATOM 190 CD1 ILE A 13 17.042 -1.963 -1.624 1.00 0.00 C ATOM 0 H ILE A 13 17.981 1.253 0.153 1.00 0.00 H new ATOM 0 HA ILE A 13 18.288 0.319 -2.656 1.00 0.00 H new ATOM 0 HB ILE A 13 15.778 1.205 -1.180 1.00 0.00 H new ATOM 0 HG12 ILE A 13 17.076 -0.611 0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 13 15.464 -1.077 -0.444 1.00 0.00 H new ATOM 0 HG21 ILE A 13 14.697 -0.297 -2.832 1.00 0.00 H new ATOM 0 HG22 ILE A 13 15.641 0.973 -3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 13 16.290 -0.679 -3.527 1.00 0.00 H new ATOM 0 HD11 ILE A 13 17.104 -2.854 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 13 16.403 -2.166 -2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 13 18.040 -1.693 -1.970 1.00 0.00 H new ATOM 202 N ALA A 14 17.574 2.486 -3.842 1.00 0.00 N ATOM 203 CA ALA A 14 17.482 3.830 -4.478 1.00 0.00 C ATOM 204 C ALA A 14 16.240 3.889 -5.370 1.00 0.00 C ATOM 205 O ALA A 14 16.047 4.825 -6.120 1.00 0.00 O ATOM 206 CB ALA A 14 18.730 4.081 -5.325 1.00 0.00 C ATOM 0 H ALA A 14 17.542 1.697 -4.488 1.00 0.00 H new ATOM 0 HA ALA A 14 17.410 4.593 -3.703 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.662 5.064 -5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.615 4.040 -4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.804 3.318 -6.100 1.00 0.00 H new ATOM 212 N ASP A 15 15.396 2.897 -5.296 1.00 0.00 N ATOM 213 CA ASP A 15 14.168 2.899 -6.141 1.00 0.00 C ATOM 214 C ASP A 15 13.439 1.563 -5.982 1.00 0.00 C ATOM 215 O ASP A 15 13.788 0.748 -5.151 1.00 0.00 O ATOM 216 CB ASP A 15 14.557 3.096 -7.607 1.00 0.00 C ATOM 217 CG ASP A 15 15.903 2.420 -7.875 1.00 0.00 C ATOM 218 OD1 ASP A 15 15.932 1.201 -7.926 1.00 0.00 O ATOM 219 OD2 ASP A 15 16.883 3.132 -8.023 1.00 0.00 O ATOM 0 H ASP A 15 15.503 2.085 -4.687 1.00 0.00 H new ATOM 0 HA ASP A 15 13.512 3.711 -5.828 1.00 0.00 H new ATOM 0 HB2 ASP A 15 13.791 2.674 -8.257 1.00 0.00 H new ATOM 0 HB3 ASP A 15 14.620 4.159 -7.837 1.00 0.00 H new ATOM 224 N GLY A 16 12.427 1.332 -6.774 1.00 0.00 N ATOM 225 CA GLY A 16 11.676 0.049 -6.668 1.00 0.00 C ATOM 226 C GLY A 16 10.981 -0.249 -7.998 1.00 0.00 C ATOM 227 O GLY A 16 11.140 0.469 -8.966 1.00 0.00 O ATOM 0 H GLY A 16 12.088 1.976 -7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.357 -0.763 -6.412 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.939 0.112 -5.867 1.00 0.00 H new ATOM 231 N THR A 17 10.212 -1.302 -8.054 1.00 0.00 N ATOM 232 CA THR A 17 9.509 -1.645 -9.321 1.00 0.00 C ATOM 233 C THR A 17 8.196 -2.360 -8.997 1.00 0.00 C ATOM 234 O THR A 17 8.167 -3.314 -8.245 1.00 0.00 O ATOM 235 CB THR A 17 10.396 -2.564 -10.164 1.00 0.00 C ATOM 236 OG1 THR A 17 11.735 -2.486 -9.697 1.00 0.00 O ATOM 237 CG2 THR A 17 10.339 -2.128 -11.630 1.00 0.00 C ATOM 0 H THR A 17 10.041 -1.939 -7.276 1.00 0.00 H new ATOM 0 HA THR A 17 9.298 -0.732 -9.879 1.00 0.00 H new ATOM 0 HB THR A 17 10.040 -3.591 -10.079 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.304 -3.075 -10.235 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.971 -2.783 -12.229 1.00 0.00 H new ATOM 0 HG22 THR A 17 9.311 -2.189 -11.988 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.694 -1.101 -11.718 1.00 0.00 H new ATOM 245 N VAL A 18 7.108 -1.907 -9.558 1.00 0.00 N ATOM 246 CA VAL A 18 5.799 -2.561 -9.280 1.00 0.00 C ATOM 247 C VAL A 18 5.965 -4.081 -9.333 1.00 0.00 C ATOM 248 O VAL A 18 6.956 -4.590 -9.816 1.00 0.00 O ATOM 249 CB VAL A 18 4.777 -2.123 -10.330 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.418 -2.750 -10.015 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.649 -0.598 -10.312 1.00 0.00 C ATOM 0 H VAL A 18 7.070 -1.113 -10.197 1.00 0.00 H new ATOM 0 HA VAL A 18 5.451 -2.269 -8.289 1.00 0.00 H new ATOM 0 HB VAL A 18 5.108 -2.450 -11.316 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.691 -2.437 -10.764 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.507 -3.836 -10.027 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.087 -2.424 -9.029 1.00 0.00 H new ATOM 0 HG21 VAL A 18 3.921 -0.285 -11.060 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.319 -0.272 -9.326 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.616 -0.149 -10.537 1.00 0.00 H new ATOM 261 N ALA A 19 5.001 -4.810 -8.839 1.00 0.00 N ATOM 262 CA ALA A 19 5.106 -6.296 -8.860 1.00 0.00 C ATOM 263 C ALA A 19 3.977 -6.874 -9.717 1.00 0.00 C ATOM 264 O ALA A 19 4.198 -7.343 -10.815 1.00 0.00 O ATOM 265 CB ALA A 19 4.990 -6.836 -7.434 1.00 0.00 C ATOM 0 H ALA A 19 4.146 -4.441 -8.422 1.00 0.00 H new ATOM 0 HA ALA A 19 6.068 -6.586 -9.281 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.067 -7.923 -7.449 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.793 -6.424 -6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.028 -6.546 -7.012 1.00 0.00 H new ATOM 271 N THR A 20 2.769 -6.844 -9.224 1.00 0.00 N ATOM 272 CA THR A 20 1.630 -7.392 -10.011 1.00 0.00 C ATOM 273 C THR A 20 0.316 -6.815 -9.481 1.00 0.00 C ATOM 274 O THR A 20 0.032 -6.873 -8.301 1.00 0.00 O ATOM 275 CB THR A 20 1.605 -8.918 -9.877 1.00 0.00 C ATOM 276 OG1 THR A 20 2.747 -9.465 -10.523 1.00 0.00 O ATOM 277 CG2 THR A 20 0.336 -9.469 -10.527 1.00 0.00 C ATOM 0 H THR A 20 2.522 -6.464 -8.310 1.00 0.00 H new ATOM 0 HA THR A 20 1.750 -7.119 -11.059 1.00 0.00 H new ATOM 0 HB THR A 20 1.616 -9.192 -8.822 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.203 -8.762 -11.032 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.320 -10.555 -10.431 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.539 -9.048 -10.032 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.321 -9.198 -11.583 1.00 0.00 H new ATOM 285 N TRP A 21 -0.489 -6.256 -10.344 1.00 0.00 N ATOM 286 CA TRP A 21 -1.778 -5.676 -9.897 1.00 0.00 C ATOM 287 C TRP A 21 -2.869 -6.747 -9.958 1.00 0.00 C ATOM 288 O TRP A 21 -3.561 -6.884 -10.947 1.00 0.00 O ATOM 289 CB TRP A 21 -2.139 -4.521 -10.827 1.00 0.00 C ATOM 290 CG TRP A 21 -1.585 -3.245 -10.281 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.419 -2.674 -10.664 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.151 -2.371 -9.262 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.237 -1.507 -9.944 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.273 -1.279 -9.072 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.329 -2.418 -8.492 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.548 -0.271 -8.155 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.612 -1.401 -7.563 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.722 -0.328 -7.395 1.00 0.00 C ATOM 0 H TRP A 21 -0.304 -6.178 -11.344 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.692 -5.315 -8.872 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.739 -4.705 -11.824 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.222 -4.446 -10.926 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.258 -3.065 -11.409 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.569 -0.891 -10.048 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.019 -3.240 -8.616 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -0.860 0.552 -8.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.518 -1.445 -6.976 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -2.943 0.452 -6.681 1.00 0.00 H new ATOM 309 N HIS A 22 -3.022 -7.510 -8.909 1.00 0.00 N ATOM 310 CA HIS A 22 -4.072 -8.582 -8.911 1.00 0.00 C ATOM 311 C HIS A 22 -5.359 -8.036 -9.533 1.00 0.00 C ATOM 312 O HIS A 22 -5.863 -8.564 -10.504 1.00 0.00 O ATOM 313 CB HIS A 22 -4.367 -9.047 -7.478 1.00 0.00 C ATOM 314 CG HIS A 22 -3.112 -8.974 -6.660 1.00 0.00 C ATOM 315 ND1 HIS A 22 -2.690 -7.794 -6.078 1.00 0.00 N ATOM 316 CD2 HIS A 22 -2.151 -9.907 -6.363 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.519 -8.036 -5.477 1.00 0.00 C ATOM 318 NE2 HIS A 22 -1.142 -9.311 -5.614 1.00 0.00 N ATOM 0 H HIS A 22 -2.471 -7.442 -8.053 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.705 -9.428 -9.492 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.141 -8.421 -7.033 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.749 -10.068 -7.487 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.174 -10.944 -6.664 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.947 -7.290 -4.945 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.298 -9.751 -5.249 1.00 0.00 H new ATOM 326 N LYS A 23 -5.896 -6.982 -8.981 1.00 0.00 N ATOM 327 CA LYS A 23 -7.151 -6.405 -9.542 1.00 0.00 C ATOM 328 C LYS A 23 -6.832 -5.106 -10.283 1.00 0.00 C ATOM 329 O LYS A 23 -5.698 -4.673 -10.338 1.00 0.00 O ATOM 330 CB LYS A 23 -8.132 -6.116 -8.403 1.00 0.00 C ATOM 331 CG LYS A 23 -8.225 -7.337 -7.486 1.00 0.00 C ATOM 332 CD LYS A 23 -9.215 -7.052 -6.355 1.00 0.00 C ATOM 333 CE LYS A 23 -10.059 -8.300 -6.088 1.00 0.00 C ATOM 334 NZ LYS A 23 -9.510 -9.028 -4.909 1.00 0.00 N ATOM 0 H LYS A 23 -5.520 -6.496 -8.167 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.598 -7.116 -10.236 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.801 -5.246 -7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.115 -5.877 -8.808 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.548 -8.209 -8.055 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.243 -7.571 -7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.678 -6.763 -5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.859 -6.215 -6.624 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.096 -8.018 -5.905 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.055 -8.949 -6.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.419 -10.039 -5.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.575 -8.642 -4.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.153 -8.912 -4.100 1.00 0.00 H new ATOM 348 N LYS A 24 -7.824 -4.481 -10.855 1.00 0.00 N ATOM 349 CA LYS A 24 -7.579 -3.210 -11.592 1.00 0.00 C ATOM 350 C LYS A 24 -8.363 -2.074 -10.927 1.00 0.00 C ATOM 351 O LYS A 24 -9.220 -2.315 -10.101 1.00 0.00 O ATOM 352 CB LYS A 24 -8.042 -3.365 -13.043 1.00 0.00 C ATOM 353 CG LYS A 24 -6.821 -3.453 -13.961 1.00 0.00 C ATOM 354 CD LYS A 24 -7.148 -2.807 -15.309 1.00 0.00 C ATOM 355 CE LYS A 24 -6.804 -3.780 -16.439 1.00 0.00 C ATOM 356 NZ LYS A 24 -5.346 -4.089 -16.401 1.00 0.00 N ATOM 0 H LYS A 24 -8.794 -4.796 -10.844 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.514 -2.978 -11.571 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.654 -4.261 -13.147 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.666 -2.518 -13.330 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.970 -2.950 -13.501 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.535 -4.495 -14.105 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.205 -2.543 -15.351 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.584 -1.882 -15.427 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.384 -4.697 -16.333 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.069 -3.344 -17.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.023 -4.359 -17.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.821 -3.249 -16.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.175 -4.875 -15.742 1.00 0.00 H new ATOM 370 N PRO A 25 -8.042 -0.865 -11.313 1.00 0.00 N ATOM 371 CA PRO A 25 -8.697 0.340 -10.776 1.00 0.00 C ATOM 372 C PRO A 25 -10.081 0.522 -11.407 1.00 0.00 C ATOM 373 O PRO A 25 -10.255 0.366 -12.599 1.00 0.00 O ATOM 374 CB PRO A 25 -7.755 1.475 -11.187 1.00 0.00 C ATOM 375 CG PRO A 25 -6.939 0.948 -12.392 1.00 0.00 C ATOM 376 CD PRO A 25 -6.997 -0.590 -12.320 1.00 0.00 C ATOM 0 HA PRO A 25 -8.858 0.297 -9.699 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.318 2.368 -11.459 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.097 1.752 -10.363 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.358 1.308 -13.332 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.908 1.300 -12.346 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.251 -1.025 -13.287 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.037 -1.012 -12.023 1.00 0.00 H new ATOM 384 N GLY A 26 -11.066 0.850 -10.616 1.00 0.00 N ATOM 385 CA GLY A 26 -12.436 1.041 -11.171 1.00 0.00 C ATOM 386 C GLY A 26 -13.331 -0.120 -10.734 1.00 0.00 C ATOM 387 O GLY A 26 -14.529 -0.102 -10.934 1.00 0.00 O ATOM 0 H GLY A 26 -10.981 0.994 -9.610 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.852 1.986 -10.822 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.395 1.093 -12.259 1.00 0.00 H new ATOM 391 N GLU A 27 -12.759 -1.132 -10.138 1.00 0.00 N ATOM 392 CA GLU A 27 -13.579 -2.293 -9.689 1.00 0.00 C ATOM 393 C GLU A 27 -13.990 -2.093 -8.229 1.00 0.00 C ATOM 394 O GLU A 27 -13.722 -1.069 -7.633 1.00 0.00 O ATOM 395 CB GLU A 27 -12.758 -3.577 -9.818 1.00 0.00 C ATOM 396 CG GLU A 27 -12.223 -3.701 -11.245 1.00 0.00 C ATOM 397 CD GLU A 27 -12.402 -5.139 -11.736 1.00 0.00 C ATOM 398 OE1 GLU A 27 -13.287 -5.810 -11.231 1.00 0.00 O ATOM 399 OE2 GLU A 27 -11.650 -5.545 -12.606 1.00 0.00 O ATOM 0 H GLU A 27 -11.760 -1.204 -9.943 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.472 -2.369 -10.310 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.931 -3.565 -9.108 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.375 -4.442 -9.574 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -12.752 -3.012 -11.904 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.169 -3.424 -11.275 1.00 0.00 H new ATOM 406 N ALA A 28 -14.638 -3.064 -7.647 1.00 0.00 N ATOM 407 CA ALA A 28 -15.066 -2.931 -6.226 1.00 0.00 C ATOM 408 C ALA A 28 -14.151 -3.775 -5.337 1.00 0.00 C ATOM 409 O ALA A 28 -13.661 -4.811 -5.741 1.00 0.00 O ATOM 410 CB ALA A 28 -16.509 -3.415 -6.080 1.00 0.00 C ATOM 0 H ALA A 28 -14.890 -3.945 -8.095 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.002 -1.886 -5.924 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.822 -3.318 -5.040 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.161 -2.813 -6.713 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.575 -4.460 -6.382 1.00 0.00 H new ATOM 416 N VAL A 29 -13.917 -3.342 -4.129 1.00 0.00 N ATOM 417 CA VAL A 29 -13.034 -4.121 -3.215 1.00 0.00 C ATOM 418 C VAL A 29 -13.512 -3.944 -1.773 1.00 0.00 C ATOM 419 O VAL A 29 -14.348 -3.112 -1.484 1.00 0.00 O ATOM 420 CB VAL A 29 -11.596 -3.616 -3.343 1.00 0.00 C ATOM 421 CG1 VAL A 29 -10.954 -4.212 -4.596 1.00 0.00 C ATOM 422 CG2 VAL A 29 -11.600 -2.089 -3.450 1.00 0.00 C ATOM 0 H VAL A 29 -14.299 -2.482 -3.735 1.00 0.00 H new ATOM 0 HA VAL A 29 -13.072 -5.177 -3.483 1.00 0.00 H new ATOM 0 HB VAL A 29 -11.026 -3.919 -2.465 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.929 -3.852 -4.686 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.951 -5.299 -4.521 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.524 -3.911 -5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.576 -1.728 -3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.171 -1.787 -4.328 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -12.057 -1.663 -2.557 1.00 0.00 H new ATOM 432 N LYS A 30 -12.986 -4.720 -0.864 1.00 0.00 N ATOM 433 CA LYS A 30 -13.411 -4.595 0.558 1.00 0.00 C ATOM 434 C LYS A 30 -12.175 -4.566 1.458 1.00 0.00 C ATOM 435 O LYS A 30 -11.194 -5.237 1.205 1.00 0.00 O ATOM 436 CB LYS A 30 -14.288 -5.791 0.935 1.00 0.00 C ATOM 437 CG LYS A 30 -15.232 -5.394 2.071 1.00 0.00 C ATOM 438 CD LYS A 30 -16.128 -6.580 2.432 1.00 0.00 C ATOM 439 CE LYS A 30 -16.869 -6.285 3.737 1.00 0.00 C ATOM 440 NZ LYS A 30 -18.221 -5.739 3.428 1.00 0.00 N ATOM 0 H LYS A 30 -12.281 -5.434 -1.045 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.978 -3.673 0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.862 -6.121 0.069 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.664 -6.630 1.243 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -14.657 -5.081 2.943 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.842 -4.543 1.769 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -16.843 -6.766 1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.527 -7.483 2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -16.959 -7.195 4.330 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -16.304 -5.570 4.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -18.725 -5.538 4.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -18.124 -4.861 2.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -18.759 -6.436 2.874 1.00 0.00 H new ATOM 454 N ARG A 31 -12.212 -3.789 2.508 1.00 0.00 N ATOM 455 CA ARG A 31 -11.042 -3.712 3.424 1.00 0.00 C ATOM 456 C ARG A 31 -10.487 -5.117 3.668 1.00 0.00 C ATOM 457 O ARG A 31 -11.200 -6.097 3.599 1.00 0.00 O ATOM 458 CB ARG A 31 -11.478 -3.098 4.757 1.00 0.00 C ATOM 459 CG ARG A 31 -10.993 -1.649 4.834 1.00 0.00 C ATOM 460 CD ARG A 31 -11.228 -1.106 6.245 1.00 0.00 C ATOM 461 NE ARG A 31 -9.929 -1.039 6.974 1.00 0.00 N ATOM 462 CZ ARG A 31 -9.392 -2.127 7.452 1.00 0.00 C ATOM 463 NH1 ARG A 31 -9.083 -3.109 6.649 1.00 0.00 N ATOM 464 NH2 ARG A 31 -9.163 -2.235 8.732 1.00 0.00 N ATOM 0 H ARG A 31 -13.005 -3.204 2.769 1.00 0.00 H new ATOM 0 HA ARG A 31 -10.269 -3.091 2.972 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -12.564 -3.135 4.849 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.068 -3.674 5.586 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -9.933 -1.595 4.584 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -11.524 -1.037 4.104 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -11.680 -0.116 6.194 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -11.926 -1.748 6.782 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.460 -0.142 7.099 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.262 -3.025 5.648 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.663 -3.960 7.022 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.404 -1.468 9.360 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.743 -3.086 9.105 1.00 0.00 H new ATOM 478 N ASP A 32 -9.217 -5.222 3.953 1.00 0.00 N ATOM 479 CA ASP A 32 -8.617 -6.563 4.202 1.00 0.00 C ATOM 480 C ASP A 32 -8.587 -7.358 2.894 1.00 0.00 C ATOM 481 O ASP A 32 -8.876 -8.538 2.868 1.00 0.00 O ATOM 482 CB ASP A 32 -9.458 -7.314 5.236 1.00 0.00 C ATOM 483 CG ASP A 32 -8.679 -8.529 5.743 1.00 0.00 C ATOM 484 OD1 ASP A 32 -7.647 -8.330 6.362 1.00 0.00 O ATOM 485 OD2 ASP A 32 -9.127 -9.637 5.501 1.00 0.00 O ATOM 0 H ASP A 32 -8.570 -4.437 4.024 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.601 -6.443 4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.705 -6.654 6.068 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.401 -7.633 4.791 1.00 0.00 H new ATOM 490 N GLU A 33 -8.238 -6.721 1.810 1.00 0.00 N ATOM 491 CA GLU A 33 -8.190 -7.441 0.507 1.00 0.00 C ATOM 492 C GLU A 33 -6.980 -6.961 -0.296 1.00 0.00 C ATOM 493 O GLU A 33 -6.881 -5.804 -0.655 1.00 0.00 O ATOM 494 CB GLU A 33 -9.471 -7.157 -0.281 1.00 0.00 C ATOM 495 CG GLU A 33 -9.705 -8.276 -1.297 1.00 0.00 C ATOM 496 CD GLU A 33 -11.204 -8.423 -1.559 1.00 0.00 C ATOM 497 OE1 GLU A 33 -11.976 -8.052 -0.691 1.00 0.00 O ATOM 498 OE2 GLU A 33 -11.555 -8.904 -2.624 1.00 0.00 O ATOM 0 H GLU A 33 -7.984 -5.734 1.771 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.105 -8.513 0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.320 -7.085 0.399 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.391 -6.198 -0.793 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.183 -8.052 -2.227 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.297 -9.214 -0.921 1.00 0.00 H new ATOM 505 N LEU A 34 -6.057 -7.840 -0.581 1.00 0.00 N ATOM 506 CA LEU A 34 -4.853 -7.437 -1.358 1.00 0.00 C ATOM 507 C LEU A 34 -5.271 -6.529 -2.516 1.00 0.00 C ATOM 508 O LEU A 34 -6.427 -6.469 -2.885 1.00 0.00 O ATOM 509 CB LEU A 34 -4.164 -8.686 -1.911 1.00 0.00 C ATOM 510 CG LEU A 34 -2.886 -8.281 -2.645 1.00 0.00 C ATOM 511 CD1 LEU A 34 -1.959 -7.533 -1.684 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.177 -9.534 -3.162 1.00 0.00 C ATOM 0 H LEU A 34 -6.087 -8.822 -0.308 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.164 -6.899 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.927 -9.373 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.834 -9.214 -2.590 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.140 -7.633 -3.484 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.048 -7.244 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.463 -6.640 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.705 -8.181 -0.845 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.265 -9.246 -3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.924 -10.182 -2.322 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.836 -10.068 -3.847 1.00 0.00 H new ATOM 524 N ILE A 35 -4.340 -5.820 -3.094 1.00 0.00 N ATOM 525 CA ILE A 35 -4.687 -4.917 -4.226 1.00 0.00 C ATOM 526 C ILE A 35 -3.493 -4.808 -5.178 1.00 0.00 C ATOM 527 O ILE A 35 -3.643 -4.854 -6.383 1.00 0.00 O ATOM 528 CB ILE A 35 -5.035 -3.530 -3.685 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.314 -3.616 -2.848 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.256 -2.566 -4.851 1.00 0.00 C ATOM 531 CD1 ILE A 35 -6.675 -2.227 -2.320 1.00 0.00 C ATOM 0 H ILE A 35 -3.355 -5.828 -2.831 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.544 -5.323 -4.763 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.216 -3.167 -3.064 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -7.131 -4.010 -3.453 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.171 -4.306 -2.017 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -5.504 -1.578 -4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.347 -2.504 -5.449 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.075 -2.928 -5.472 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.586 -2.290 -1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.861 -1.850 -1.700 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.836 -1.549 -3.159 1.00 0.00 H new ATOM 543 N VAL A 36 -2.310 -4.665 -4.648 1.00 0.00 N ATOM 544 CA VAL A 36 -1.111 -4.554 -5.526 1.00 0.00 C ATOM 545 C VAL A 36 0.139 -4.947 -4.736 1.00 0.00 C ATOM 546 O VAL A 36 0.259 -4.661 -3.561 1.00 0.00 O ATOM 547 CB VAL A 36 -0.972 -3.112 -6.019 1.00 0.00 C ATOM 548 CG1 VAL A 36 -0.803 -2.177 -4.820 1.00 0.00 C ATOM 549 CG2 VAL A 36 0.255 -3.001 -6.927 1.00 0.00 C ATOM 0 H VAL A 36 -2.121 -4.620 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.224 -5.221 -6.381 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.865 -2.831 -6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.704 -1.150 -5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.675 -2.256 -4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.091 -2.458 -4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.355 -1.974 -7.279 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.148 -3.282 -6.368 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.137 -3.668 -7.781 1.00 0.00 H new ATOM 559 N ASP A 37 1.072 -5.602 -5.372 1.00 0.00 N ATOM 560 CA ASP A 37 2.313 -6.015 -4.657 1.00 0.00 C ATOM 561 C ASP A 37 3.489 -5.166 -5.145 1.00 0.00 C ATOM 562 O ASP A 37 3.543 -4.764 -6.290 1.00 0.00 O ATOM 563 CB ASP A 37 2.598 -7.492 -4.940 1.00 0.00 C ATOM 564 CG ASP A 37 1.859 -8.359 -3.919 1.00 0.00 C ATOM 565 OD1 ASP A 37 2.221 -8.307 -2.755 1.00 0.00 O ATOM 566 OD2 ASP A 37 0.945 -9.060 -4.318 1.00 0.00 O ATOM 0 H ASP A 37 1.028 -5.869 -6.356 1.00 0.00 H new ATOM 0 HA ASP A 37 2.180 -5.870 -3.585 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.278 -7.748 -5.950 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.670 -7.683 -4.887 1.00 0.00 H new ATOM 571 N ILE A 38 4.431 -4.892 -4.285 1.00 0.00 N ATOM 572 CA ILE A 38 5.603 -4.069 -4.700 1.00 0.00 C ATOM 573 C ILE A 38 6.818 -4.977 -4.898 1.00 0.00 C ATOM 574 O ILE A 38 6.947 -6.006 -4.264 1.00 0.00 O ATOM 575 CB ILE A 38 5.910 -3.036 -3.616 1.00 0.00 C ATOM 576 CG1 ILE A 38 4.655 -2.207 -3.332 1.00 0.00 C ATOM 577 CG2 ILE A 38 7.032 -2.113 -4.093 1.00 0.00 C ATOM 578 CD1 ILE A 38 4.815 -1.479 -1.997 1.00 0.00 C ATOM 0 H ILE A 38 4.440 -5.202 -3.313 1.00 0.00 H new ATOM 0 HA ILE A 38 5.375 -3.557 -5.635 1.00 0.00 H new ATOM 0 HB ILE A 38 6.223 -3.547 -2.706 1.00 0.00 H new ATOM 0 HG12 ILE A 38 4.493 -1.487 -4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.778 -2.854 -3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 38 7.251 -1.376 -3.320 1.00 0.00 H new ATOM 0 HG22 ILE A 38 7.926 -2.702 -4.296 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.720 -1.601 -5.004 1.00 0.00 H new ATOM 0 HD11 ILE A 38 3.921 -0.889 -1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 38 4.956 -2.208 -1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.682 -0.820 -2.044 1.00 0.00 H new ATOM 590 N GLU A 39 7.712 -4.606 -5.774 1.00 0.00 N ATOM 591 CA GLU A 39 8.918 -5.449 -6.012 1.00 0.00 C ATOM 592 C GLU A 39 10.169 -4.569 -5.983 1.00 0.00 C ATOM 593 O GLU A 39 10.498 -3.910 -6.950 1.00 0.00 O ATOM 594 CB GLU A 39 8.804 -6.130 -7.377 1.00 0.00 C ATOM 595 CG GLU A 39 8.965 -7.641 -7.209 1.00 0.00 C ATOM 596 CD GLU A 39 10.370 -8.057 -7.652 1.00 0.00 C ATOM 597 OE1 GLU A 39 10.634 -8.005 -8.841 1.00 0.00 O ATOM 598 OE2 GLU A 39 11.157 -8.420 -6.792 1.00 0.00 O ATOM 0 H GLU A 39 7.659 -3.756 -6.335 1.00 0.00 H new ATOM 0 HA GLU A 39 8.990 -6.208 -5.233 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.838 -5.905 -7.828 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.568 -5.745 -8.052 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.802 -7.921 -6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.215 -8.165 -7.801 1.00 0.00 H new ATOM 605 N THR A 40 10.869 -4.551 -4.882 1.00 0.00 N ATOM 606 CA THR A 40 12.098 -3.713 -4.794 1.00 0.00 C ATOM 607 C THR A 40 13.320 -4.559 -5.161 1.00 0.00 C ATOM 608 O THR A 40 13.196 -5.672 -5.635 1.00 0.00 O ATOM 609 CB THR A 40 12.249 -3.177 -3.366 1.00 0.00 C ATOM 610 OG1 THR A 40 13.202 -2.124 -3.354 1.00 0.00 O ATOM 611 CG2 THR A 40 12.715 -4.302 -2.439 1.00 0.00 C ATOM 0 H THR A 40 10.643 -5.080 -4.040 1.00 0.00 H new ATOM 0 HA THR A 40 12.019 -2.875 -5.487 1.00 0.00 H new ATOM 0 HB THR A 40 11.287 -2.800 -3.018 1.00 0.00 H new ATOM 0 HG1 THR A 40 13.858 -2.285 -2.644 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.821 -3.917 -1.425 1.00 0.00 H new ATOM 0 HG22 THR A 40 11.981 -5.107 -2.446 1.00 0.00 H new ATOM 0 HG23 THR A 40 13.676 -4.684 -2.785 1.00 0.00 H new ATOM 619 N ASP A 41 14.500 -4.040 -4.947 1.00 0.00 N ATOM 620 CA ASP A 41 15.729 -4.811 -5.284 1.00 0.00 C ATOM 621 C ASP A 41 15.562 -6.268 -4.847 1.00 0.00 C ATOM 622 O ASP A 41 15.687 -7.181 -5.638 1.00 0.00 O ATOM 623 CB ASP A 41 16.929 -4.196 -4.561 1.00 0.00 C ATOM 624 CG ASP A 41 18.155 -4.243 -5.474 1.00 0.00 C ATOM 625 OD1 ASP A 41 17.973 -4.199 -6.680 1.00 0.00 O ATOM 626 OD2 ASP A 41 19.256 -4.322 -4.952 1.00 0.00 O ATOM 0 H ASP A 41 14.664 -3.114 -4.553 1.00 0.00 H new ATOM 0 HA ASP A 41 15.893 -4.775 -6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.710 -3.165 -4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.129 -4.740 -3.638 1.00 0.00 H new ATOM 631 N LYS A 42 15.280 -6.492 -3.592 1.00 0.00 N ATOM 632 CA LYS A 42 15.107 -7.891 -3.108 1.00 0.00 C ATOM 633 C LYS A 42 14.082 -7.917 -1.971 1.00 0.00 C ATOM 634 O LYS A 42 14.318 -8.485 -0.924 1.00 0.00 O ATOM 635 CB LYS A 42 16.447 -8.424 -2.597 1.00 0.00 C ATOM 636 CG LYS A 42 17.518 -8.226 -3.671 1.00 0.00 C ATOM 637 CD LYS A 42 18.855 -8.776 -3.167 1.00 0.00 C ATOM 638 CE LYS A 42 19.823 -7.620 -2.920 1.00 0.00 C ATOM 639 NZ LYS A 42 19.334 -6.797 -1.777 1.00 0.00 N ATOM 0 H LYS A 42 15.162 -5.768 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 42 14.755 -8.517 -3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 42 16.733 -7.903 -1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 42 16.358 -9.481 -2.347 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.226 -8.736 -4.589 1.00 0.00 H new ATOM 0 HG3 LYS A 42 17.616 -7.167 -3.911 1.00 0.00 H new ATOM 0 HD2 LYS A 42 18.704 -9.340 -2.247 1.00 0.00 H new ATOM 0 HD3 LYS A 42 19.275 -9.466 -3.899 1.00 0.00 H new ATOM 0 HE2 LYS A 42 20.819 -8.006 -2.704 1.00 0.00 H new ATOM 0 HE3 LYS A 42 19.907 -7.004 -3.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 20.063 -6.105 -1.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 18.467 -6.296 -2.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 19.131 -7.415 -0.966 1.00 0.00 H new ATOM 653 N VAL A 43 12.946 -7.307 -2.169 1.00 0.00 N ATOM 654 CA VAL A 43 11.908 -7.300 -1.100 1.00 0.00 C ATOM 655 C VAL A 43 10.525 -7.126 -1.730 1.00 0.00 C ATOM 656 O VAL A 43 10.167 -6.055 -2.177 1.00 0.00 O ATOM 657 CB VAL A 43 12.178 -6.143 -0.135 1.00 0.00 C ATOM 658 CG1 VAL A 43 11.566 -6.463 1.229 1.00 0.00 C ATOM 659 CG2 VAL A 43 13.688 -5.950 0.018 1.00 0.00 C ATOM 0 H VAL A 43 12.692 -6.813 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 43 11.942 -8.244 -0.556 1.00 0.00 H new ATOM 0 HB VAL A 43 11.732 -5.230 -0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 43 11.758 -5.639 1.916 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.490 -6.602 1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.013 -7.376 1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 43 13.882 -5.126 0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.133 -6.863 0.412 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.126 -5.723 -0.954 1.00 0.00 H new ATOM 669 N VAL A 44 9.745 -8.172 -1.769 1.00 0.00 N ATOM 670 CA VAL A 44 8.386 -8.065 -2.370 1.00 0.00 C ATOM 671 C VAL A 44 7.380 -7.671 -1.286 1.00 0.00 C ATOM 672 O VAL A 44 7.020 -8.467 -0.442 1.00 0.00 O ATOM 673 CB VAL A 44 7.987 -9.413 -2.971 1.00 0.00 C ATOM 674 CG1 VAL A 44 6.552 -9.335 -3.494 1.00 0.00 C ATOM 675 CG2 VAL A 44 8.931 -9.754 -4.126 1.00 0.00 C ATOM 0 H VAL A 44 9.990 -9.095 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 44 8.393 -7.307 -3.153 1.00 0.00 H new ATOM 0 HB VAL A 44 8.053 -10.186 -2.205 1.00 0.00 H new ATOM 0 HG11 VAL A 44 6.268 -10.296 -3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.878 -9.090 -2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 44 6.485 -8.563 -4.260 1.00 0.00 H new ATOM 0 HG21 VAL A 44 8.648 -10.715 -4.556 1.00 0.00 H new ATOM 0 HG22 VAL A 44 8.864 -8.981 -4.891 1.00 0.00 H new ATOM 0 HG23 VAL A 44 9.954 -9.810 -3.755 1.00 0.00 H new ATOM 685 N MET A 45 6.922 -6.449 -1.304 1.00 0.00 N ATOM 686 CA MET A 45 5.939 -6.007 -0.275 1.00 0.00 C ATOM 687 C MET A 45 4.519 -6.273 -0.778 1.00 0.00 C ATOM 688 O MET A 45 4.318 -6.727 -1.888 1.00 0.00 O ATOM 689 CB MET A 45 6.114 -4.510 -0.013 1.00 0.00 C ATOM 690 CG MET A 45 7.141 -4.303 1.103 1.00 0.00 C ATOM 691 SD MET A 45 7.654 -2.568 1.138 1.00 0.00 S ATOM 692 CE MET A 45 6.349 -1.969 2.238 1.00 0.00 C ATOM 0 H MET A 45 7.186 -5.738 -1.986 1.00 0.00 H new ATOM 0 HA MET A 45 6.107 -6.560 0.649 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.443 -4.007 -0.922 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.160 -4.066 0.270 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.711 -4.586 2.064 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.006 -4.946 0.939 1.00 0.00 H new ATOM 0 HE1 MET A 45 6.606 -0.973 2.599 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.406 -1.925 1.693 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.247 -2.647 3.085 1.00 0.00 H new ATOM 702 N GLU A 46 3.531 -5.996 0.029 1.00 0.00 N ATOM 703 CA GLU A 46 2.126 -6.234 -0.405 1.00 0.00 C ATOM 704 C GLU A 46 1.278 -5.002 -0.082 1.00 0.00 C ATOM 705 O GLU A 46 1.558 -4.269 0.846 1.00 0.00 O ATOM 706 CB GLU A 46 1.563 -7.449 0.336 1.00 0.00 C ATOM 707 CG GLU A 46 2.674 -8.478 0.550 1.00 0.00 C ATOM 708 CD GLU A 46 2.055 -9.853 0.803 1.00 0.00 C ATOM 709 OE1 GLU A 46 1.135 -9.930 1.601 1.00 0.00 O ATOM 710 OE2 GLU A 46 2.512 -10.807 0.194 1.00 0.00 O ATOM 0 H GLU A 46 3.637 -5.615 0.969 1.00 0.00 H new ATOM 0 HA GLU A 46 2.103 -6.420 -1.479 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.148 -7.142 1.296 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.748 -7.892 -0.237 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.323 -8.515 -0.325 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.296 -8.186 1.396 1.00 0.00 H new ATOM 717 N VAL A 47 0.242 -4.768 -0.841 1.00 0.00 N ATOM 718 CA VAL A 47 -0.622 -3.584 -0.576 1.00 0.00 C ATOM 719 C VAL A 47 -2.080 -4.033 -0.459 1.00 0.00 C ATOM 720 O VAL A 47 -2.713 -4.383 -1.436 1.00 0.00 O ATOM 721 CB VAL A 47 -0.487 -2.587 -1.728 1.00 0.00 C ATOM 722 CG1 VAL A 47 -1.394 -1.382 -1.470 1.00 0.00 C ATOM 723 CG2 VAL A 47 0.966 -2.118 -1.828 1.00 0.00 C ATOM 0 H VAL A 47 -0.043 -5.345 -1.632 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.312 -3.109 0.355 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.780 -3.069 -2.661 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -1.298 -0.672 -2.291 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.429 -1.715 -1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.102 -0.900 -0.537 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.063 -1.407 -2.649 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.258 -1.637 -0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.613 -2.976 -2.012 1.00 0.00 H new ATOM 733 N LEU A 48 -2.619 -4.026 0.729 1.00 0.00 N ATOM 734 CA LEU A 48 -4.035 -4.453 0.909 1.00 0.00 C ATOM 735 C LEU A 48 -4.951 -3.231 0.821 1.00 0.00 C ATOM 736 O LEU A 48 -4.497 -2.111 0.687 1.00 0.00 O ATOM 737 CB LEU A 48 -4.199 -5.114 2.278 1.00 0.00 C ATOM 738 CG LEU A 48 -4.573 -6.586 2.094 1.00 0.00 C ATOM 739 CD1 LEU A 48 -3.381 -7.346 1.510 1.00 0.00 C ATOM 740 CD2 LEU A 48 -4.946 -7.190 3.450 1.00 0.00 C ATOM 0 H LEU A 48 -2.139 -3.743 1.584 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.301 -5.165 0.128 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.273 -5.032 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.971 -4.601 2.851 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.422 -6.663 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.647 -8.395 1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.113 -6.916 0.545 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.532 -7.269 2.190 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.213 -8.239 3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.097 -7.113 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.795 -6.649 3.868 1.00 0.00 H new ATOM 752 N ALA A 49 -6.238 -3.434 0.893 1.00 0.00 N ATOM 753 CA ALA A 49 -7.181 -2.284 0.814 1.00 0.00 C ATOM 754 C ALA A 49 -7.290 -1.619 2.187 1.00 0.00 C ATOM 755 O ALA A 49 -7.618 -2.253 3.171 1.00 0.00 O ATOM 756 CB ALA A 49 -8.559 -2.783 0.378 1.00 0.00 C ATOM 0 H ALA A 49 -6.677 -4.348 1.003 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.811 -1.560 0.088 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.249 -1.941 0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.482 -3.257 -0.601 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.930 -3.507 1.103 1.00 0.00 H new ATOM 762 N GLU A 50 -7.018 -0.344 2.264 1.00 0.00 N ATOM 763 CA GLU A 50 -7.105 0.358 3.574 1.00 0.00 C ATOM 764 C GLU A 50 -8.499 0.972 3.731 1.00 0.00 C ATOM 765 O GLU A 50 -8.728 1.805 4.585 1.00 0.00 O ATOM 766 CB GLU A 50 -6.051 1.466 3.631 1.00 0.00 C ATOM 767 CG GLU A 50 -5.147 1.250 4.846 1.00 0.00 C ATOM 768 CD GLU A 50 -5.754 1.943 6.065 1.00 0.00 C ATOM 769 OE1 GLU A 50 -6.701 1.406 6.618 1.00 0.00 O ATOM 770 OE2 GLU A 50 -5.265 3.000 6.426 1.00 0.00 O ATOM 0 H GLU A 50 -6.740 0.240 1.476 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.927 -0.354 4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.456 1.464 2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.536 2.440 3.694 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.031 0.184 5.041 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.152 1.647 4.647 1.00 0.00 H new ATOM 777 N ALA A 51 -9.431 0.567 2.912 1.00 0.00 N ATOM 778 CA ALA A 51 -10.807 1.127 3.016 1.00 0.00 C ATOM 779 C ALA A 51 -11.662 0.593 1.864 1.00 0.00 C ATOM 780 O ALA A 51 -11.316 0.726 0.707 1.00 0.00 O ATOM 781 CB ALA A 51 -10.744 2.653 2.938 1.00 0.00 C ATOM 0 H ALA A 51 -9.299 -0.127 2.176 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.250 0.830 3.967 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.751 3.063 3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.134 3.034 3.757 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.302 2.951 1.987 1.00 0.00 H new ATOM 787 N ASP A 52 -12.778 -0.010 2.171 1.00 0.00 N ATOM 788 CA ASP A 52 -13.653 -0.552 1.094 1.00 0.00 C ATOM 789 C ASP A 52 -14.077 0.589 0.164 1.00 0.00 C ATOM 790 O ASP A 52 -13.846 1.750 0.438 1.00 0.00 O ATOM 791 CB ASP A 52 -14.884 -1.224 1.732 1.00 0.00 C ATOM 792 CG ASP A 52 -16.107 -1.127 0.813 1.00 0.00 C ATOM 793 OD1 ASP A 52 -16.661 -0.045 0.708 1.00 0.00 O ATOM 794 OD2 ASP A 52 -16.466 -2.137 0.230 1.00 0.00 O ATOM 0 H ASP A 52 -13.121 -0.151 3.121 1.00 0.00 H new ATOM 0 HA ASP A 52 -13.113 -1.296 0.508 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.664 -2.271 1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.106 -0.750 2.688 1.00 0.00 H new ATOM 799 N GLY A 53 -14.695 0.257 -0.933 1.00 0.00 N ATOM 800 CA GLY A 53 -15.139 1.310 -1.890 1.00 0.00 C ATOM 801 C GLY A 53 -14.724 0.918 -3.308 1.00 0.00 C ATOM 802 O GLY A 53 -14.796 -0.233 -3.692 1.00 0.00 O ATOM 0 H GLY A 53 -14.913 -0.700 -1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.221 1.432 -1.837 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.697 2.270 -1.622 1.00 0.00 H new ATOM 806 N VAL A 54 -14.289 1.866 -4.093 1.00 0.00 N ATOM 807 CA VAL A 54 -13.869 1.546 -5.487 1.00 0.00 C ATOM 808 C VAL A 54 -12.602 2.332 -5.830 1.00 0.00 C ATOM 809 O VAL A 54 -12.515 3.521 -5.598 1.00 0.00 O ATOM 810 CB VAL A 54 -14.988 1.931 -6.457 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.459 1.887 -7.891 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.149 0.945 -6.312 1.00 0.00 C ATOM 0 H VAL A 54 -14.206 2.848 -3.829 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.667 0.478 -5.571 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.335 2.939 -6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.256 2.161 -8.582 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.631 2.589 -7.995 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.111 0.880 -8.120 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -16.947 1.218 -7.003 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -15.801 -0.063 -6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.527 0.976 -5.290 1.00 0.00 H new ATOM 822 N ILE A 55 -11.617 1.675 -6.380 1.00 0.00 N ATOM 823 CA ILE A 55 -10.356 2.383 -6.737 1.00 0.00 C ATOM 824 C ILE A 55 -10.647 3.436 -7.809 1.00 0.00 C ATOM 825 O ILE A 55 -11.719 3.474 -8.380 1.00 0.00 O ATOM 826 CB ILE A 55 -9.343 1.371 -7.275 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.177 0.233 -6.265 1.00 0.00 C ATOM 828 CG2 ILE A 55 -7.995 2.063 -7.494 1.00 0.00 C ATOM 829 CD1 ILE A 55 -8.372 0.726 -5.060 1.00 0.00 C ATOM 0 H ILE A 55 -11.632 0.679 -6.597 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.948 2.872 -5.852 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.699 0.967 -8.223 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.155 -0.123 -5.940 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.670 -0.610 -6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.274 1.341 -7.877 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.115 2.873 -8.213 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.636 2.468 -6.548 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.256 -0.087 -4.343 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.389 1.061 -5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.897 1.555 -4.586 1.00 0.00 H new ATOM 841 N ALA A 56 -9.701 4.289 -8.089 1.00 0.00 N ATOM 842 CA ALA A 56 -9.924 5.338 -9.124 1.00 0.00 C ATOM 843 C ALA A 56 -9.098 5.010 -10.369 1.00 0.00 C ATOM 844 O ALA A 56 -9.631 4.726 -11.423 1.00 0.00 O ATOM 845 CB ALA A 56 -9.495 6.699 -8.571 1.00 0.00 C ATOM 0 H ALA A 56 -8.782 4.305 -7.646 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.981 5.370 -9.388 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.658 7.467 -9.327 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.083 6.933 -7.684 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.438 6.668 -8.307 1.00 0.00 H new ATOM 851 N GLU A 57 -7.798 5.048 -10.257 1.00 0.00 N ATOM 852 CA GLU A 57 -6.939 4.738 -11.435 1.00 0.00 C ATOM 853 C GLU A 57 -5.502 4.497 -10.969 1.00 0.00 C ATOM 854 O GLU A 57 -5.007 5.161 -10.080 1.00 0.00 O ATOM 855 CB GLU A 57 -6.969 5.916 -12.411 1.00 0.00 C ATOM 856 CG GLU A 57 -7.514 5.447 -13.761 1.00 0.00 C ATOM 857 CD GLU A 57 -8.913 6.027 -13.977 1.00 0.00 C ATOM 858 OE1 GLU A 57 -9.153 7.130 -13.515 1.00 0.00 O ATOM 859 OE2 GLU A 57 -9.721 5.358 -14.601 1.00 0.00 O ATOM 0 H GLU A 57 -7.294 5.280 -9.401 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.313 3.844 -11.933 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.593 6.716 -12.013 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -5.966 6.326 -12.534 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.849 5.765 -14.564 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -7.552 4.358 -13.791 1.00 0.00 H new ATOM 866 N ILE A 58 -4.826 3.551 -11.563 1.00 0.00 N ATOM 867 CA ILE A 58 -3.421 3.269 -11.154 1.00 0.00 C ATOM 868 C ILE A 58 -2.462 4.028 -12.072 1.00 0.00 C ATOM 869 O ILE A 58 -2.517 3.908 -13.280 1.00 0.00 O ATOM 870 CB ILE A 58 -3.151 1.767 -11.264 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.065 1.012 -10.296 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.690 1.484 -10.908 1.00 0.00 C ATOM 873 CD1 ILE A 58 -3.997 1.665 -8.914 1.00 0.00 C ATOM 0 H ILE A 58 -5.186 2.962 -12.314 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.270 3.591 -10.124 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.348 1.437 -12.284 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.091 1.023 -10.665 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.760 -0.033 -10.232 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.497 0.414 -10.986 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.037 2.022 -11.596 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.493 1.814 -9.888 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.648 1.127 -8.225 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.972 1.631 -8.546 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.323 2.703 -8.985 1.00 0.00 H new ATOM 885 N VAL A 59 -1.582 4.811 -11.509 1.00 0.00 N ATOM 886 CA VAL A 59 -0.620 5.577 -12.350 1.00 0.00 C ATOM 887 C VAL A 59 0.643 4.742 -12.572 1.00 0.00 C ATOM 888 O VAL A 59 1.445 5.031 -13.438 1.00 0.00 O ATOM 889 CB VAL A 59 -0.250 6.881 -11.642 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.595 7.749 -12.576 1.00 0.00 C ATOM 891 CG2 VAL A 59 -1.527 7.635 -11.265 1.00 0.00 C ATOM 0 H VAL A 59 -1.488 4.953 -10.503 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.080 5.803 -13.312 1.00 0.00 H new ATOM 0 HB VAL A 59 0.321 6.655 -10.741 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.858 8.678 -12.070 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.505 7.213 -12.847 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.025 7.975 -13.477 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.265 8.565 -10.760 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -2.097 7.860 -12.167 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.131 7.018 -10.599 1.00 0.00 H new ATOM 901 N LYS A 60 0.826 3.708 -11.797 1.00 0.00 N ATOM 902 CA LYS A 60 2.037 2.857 -11.965 1.00 0.00 C ATOM 903 C LYS A 60 1.627 1.491 -12.520 1.00 0.00 C ATOM 904 O LYS A 60 0.729 0.848 -12.013 1.00 0.00 O ATOM 905 CB LYS A 60 2.721 2.671 -10.608 1.00 0.00 C ATOM 906 CG LYS A 60 4.129 3.268 -10.661 1.00 0.00 C ATOM 907 CD LYS A 60 4.089 4.716 -10.164 1.00 0.00 C ATOM 908 CE LYS A 60 3.255 5.563 -11.127 1.00 0.00 C ATOM 909 NZ LYS A 60 3.562 7.005 -10.912 1.00 0.00 N ATOM 0 H LYS A 60 0.189 3.416 -11.055 1.00 0.00 H new ATOM 0 HA LYS A 60 2.727 3.339 -12.658 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.138 3.156 -9.825 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.773 1.612 -10.357 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.808 2.679 -10.045 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.512 3.233 -11.681 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.660 4.756 -9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.101 5.116 -10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.474 5.283 -12.157 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.193 5.378 -10.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.326 7.542 -11.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.000 7.364 -10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.574 7.117 -10.701 1.00 0.00 H new ATOM 923 N ASN A 61 2.278 1.042 -13.558 1.00 0.00 N ATOM 924 CA ASN A 61 1.924 -0.281 -14.145 1.00 0.00 C ATOM 925 C ASN A 61 2.991 -1.309 -13.764 1.00 0.00 C ATOM 926 O ASN A 61 4.066 -0.965 -13.316 1.00 0.00 O ATOM 927 CB ASN A 61 1.852 -0.160 -15.669 1.00 0.00 C ATOM 928 CG ASN A 61 0.930 1.000 -16.047 1.00 0.00 C ATOM 929 OD1 ASN A 61 -0.238 0.997 -15.714 1.00 0.00 O ATOM 930 ND2 ASN A 61 1.410 2.001 -16.734 1.00 0.00 N ATOM 0 H ASN A 61 3.040 1.534 -14.025 1.00 0.00 H new ATOM 0 HA ASN A 61 0.956 -0.603 -13.760 1.00 0.00 H new ATOM 0 HB2 ASN A 61 2.848 0.006 -16.079 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.480 -1.089 -16.101 1.00 0.00 H new ATOM 0 HD21 ASN A 61 0.804 2.780 -16.991 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.391 2.004 -17.014 1.00 0.00 H new ATOM 937 N GLU A 62 2.702 -2.569 -13.939 1.00 0.00 N ATOM 938 CA GLU A 62 3.701 -3.618 -13.588 1.00 0.00 C ATOM 939 C GLU A 62 4.896 -3.524 -14.537 1.00 0.00 C ATOM 940 O GLU A 62 4.742 -3.359 -15.731 1.00 0.00 O ATOM 941 CB GLU A 62 3.056 -5.000 -13.716 1.00 0.00 C ATOM 942 CG GLU A 62 1.747 -5.030 -12.923 1.00 0.00 C ATOM 943 CD GLU A 62 0.950 -6.280 -13.303 1.00 0.00 C ATOM 944 OE1 GLU A 62 1.504 -7.362 -13.212 1.00 0.00 O ATOM 945 OE2 GLU A 62 -0.201 -6.132 -13.677 1.00 0.00 O ATOM 0 H GLU A 62 1.818 -2.918 -14.310 1.00 0.00 H new ATOM 0 HA GLU A 62 4.039 -3.468 -12.563 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.863 -5.227 -14.765 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.736 -5.766 -13.344 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.957 -5.031 -11.853 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.162 -4.135 -13.132 1.00 0.00 H new ATOM 952 N GLY A 63 6.089 -3.627 -14.017 1.00 0.00 N ATOM 953 CA GLY A 63 7.293 -3.544 -14.891 1.00 0.00 C ATOM 954 C GLY A 63 7.824 -2.109 -14.901 1.00 0.00 C ATOM 955 O GLY A 63 8.775 -1.794 -15.587 1.00 0.00 O ATOM 0 H GLY A 63 6.281 -3.765 -13.025 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.064 -4.225 -14.530 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.041 -3.856 -15.905 1.00 0.00 H new ATOM 959 N ASP A 64 7.218 -1.233 -14.144 1.00 0.00 N ATOM 960 CA ASP A 64 7.692 0.178 -14.113 1.00 0.00 C ATOM 961 C ASP A 64 8.448 0.431 -12.807 1.00 0.00 C ATOM 962 O ASP A 64 8.453 -0.386 -11.907 1.00 0.00 O ATOM 963 CB ASP A 64 6.481 1.121 -14.236 1.00 0.00 C ATOM 964 CG ASP A 64 6.732 2.445 -13.502 1.00 0.00 C ATOM 965 OD1 ASP A 64 7.294 3.339 -14.111 1.00 0.00 O ATOM 966 OD2 ASP A 64 6.357 2.538 -12.345 1.00 0.00 O ATOM 0 H ASP A 64 6.416 -1.435 -13.547 1.00 0.00 H new ATOM 0 HA ASP A 64 8.368 0.366 -14.947 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.276 1.319 -15.288 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.596 0.636 -13.824 1.00 0.00 H new ATOM 971 N THR A 65 9.085 1.561 -12.703 1.00 0.00 N ATOM 972 CA THR A 65 9.845 1.882 -11.462 1.00 0.00 C ATOM 973 C THR A 65 8.996 2.780 -10.561 1.00 0.00 C ATOM 974 O THR A 65 8.068 3.425 -11.008 1.00 0.00 O ATOM 975 CB THR A 65 11.141 2.608 -11.832 1.00 0.00 C ATOM 976 OG1 THR A 65 11.992 2.662 -10.696 1.00 0.00 O ATOM 977 CG2 THR A 65 10.818 4.029 -12.298 1.00 0.00 C ATOM 0 H THR A 65 9.113 2.280 -13.426 1.00 0.00 H new ATOM 0 HA THR A 65 10.083 0.959 -10.933 1.00 0.00 H new ATOM 0 HB THR A 65 11.642 2.070 -12.637 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.751 1.945 -10.073 1.00 0.00 H new ATOM 0 HG21 THR A 65 11.742 4.544 -12.561 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.165 3.986 -13.170 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.317 4.570 -11.495 1.00 0.00 H new ATOM 985 N VAL A 66 9.306 2.830 -9.295 1.00 0.00 N ATOM 986 CA VAL A 66 8.516 3.686 -8.366 1.00 0.00 C ATOM 987 C VAL A 66 9.470 4.509 -7.496 1.00 0.00 C ATOM 988 O VAL A 66 10.398 3.987 -6.910 1.00 0.00 O ATOM 989 CB VAL A 66 7.645 2.802 -7.473 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.504 2.207 -8.300 1.00 0.00 C ATOM 991 CG2 VAL A 66 8.496 1.671 -6.891 1.00 0.00 C ATOM 0 H VAL A 66 10.073 2.315 -8.863 1.00 0.00 H new ATOM 0 HA VAL A 66 7.879 4.357 -8.943 1.00 0.00 H new ATOM 0 HB VAL A 66 7.231 3.401 -6.662 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.883 1.577 -7.663 1.00 0.00 H new ATOM 0 HG12 VAL A 66 5.898 3.012 -8.716 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.917 1.608 -9.111 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.876 1.040 -6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.910 1.072 -7.703 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.309 2.094 -6.301 1.00 0.00 H new ATOM 1001 N LEU A 67 9.248 5.792 -7.406 1.00 0.00 N ATOM 1002 CA LEU A 67 10.142 6.645 -6.573 1.00 0.00 C ATOM 1003 C LEU A 67 9.546 6.794 -5.172 1.00 0.00 C ATOM 1004 O LEU A 67 8.409 6.436 -4.930 1.00 0.00 O ATOM 1005 CB LEU A 67 10.274 8.026 -7.219 1.00 0.00 C ATOM 1006 CG LEU A 67 11.659 8.159 -7.857 1.00 0.00 C ATOM 1007 CD1 LEU A 67 11.511 8.309 -9.372 1.00 0.00 C ATOM 1008 CD2 LEU A 67 12.363 9.394 -7.290 1.00 0.00 C ATOM 0 H LEU A 67 8.487 6.286 -7.873 1.00 0.00 H new ATOM 0 HA LEU A 67 11.125 6.180 -6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.499 8.162 -7.974 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.130 8.805 -6.470 1.00 0.00 H new ATOM 0 HG LEU A 67 12.248 7.269 -7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 67 12.497 8.404 -9.826 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.008 7.431 -9.777 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.922 9.199 -9.594 1.00 0.00 H new ATOM 0 HD21 LEU A 67 13.350 9.490 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.773 10.283 -7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.468 9.289 -6.210 1.00 0.00 H new ATOM 1020 N SER A 68 10.303 7.317 -4.247 1.00 0.00 N ATOM 1021 CA SER A 68 9.778 7.488 -2.863 1.00 0.00 C ATOM 1022 C SER A 68 8.560 8.413 -2.889 1.00 0.00 C ATOM 1023 O SER A 68 8.594 9.483 -3.464 1.00 0.00 O ATOM 1024 CB SER A 68 10.864 8.099 -1.978 1.00 0.00 C ATOM 1025 OG SER A 68 10.349 8.293 -0.668 1.00 0.00 O ATOM 0 H SER A 68 11.262 7.633 -4.390 1.00 0.00 H new ATOM 0 HA SER A 68 9.487 6.517 -2.463 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.734 7.443 -1.946 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.197 9.050 -2.395 1.00 0.00 H new ATOM 0 HG SER A 68 10.244 9.252 -0.497 1.00 0.00 H new ATOM 1031 N GLY A 69 7.483 8.010 -2.272 1.00 0.00 N ATOM 1032 CA GLY A 69 6.264 8.869 -2.263 1.00 0.00 C ATOM 1033 C GLY A 69 5.616 8.852 -3.648 1.00 0.00 C ATOM 1034 O GLY A 69 4.954 9.790 -4.045 1.00 0.00 O ATOM 0 H GLY A 69 7.394 7.124 -1.774 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.558 8.508 -1.515 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.528 9.890 -1.986 1.00 0.00 H new ATOM 1038 N GLU A 70 5.802 7.793 -4.387 1.00 0.00 N ATOM 1039 CA GLU A 70 5.196 7.718 -5.746 1.00 0.00 C ATOM 1040 C GLU A 70 3.726 7.309 -5.627 1.00 0.00 C ATOM 1041 O GLU A 70 3.387 6.370 -4.937 1.00 0.00 O ATOM 1042 CB GLU A 70 5.948 6.680 -6.583 1.00 0.00 C ATOM 1043 CG GLU A 70 5.450 6.731 -8.029 1.00 0.00 C ATOM 1044 CD GLU A 70 6.568 7.247 -8.937 1.00 0.00 C ATOM 1045 OE1 GLU A 70 6.776 8.449 -8.963 1.00 0.00 O ATOM 1046 OE2 GLU A 70 7.197 6.431 -9.591 1.00 0.00 O ATOM 0 H GLU A 70 6.347 6.977 -4.109 1.00 0.00 H new ATOM 0 HA GLU A 70 5.264 8.693 -6.229 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.019 6.877 -6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.794 5.683 -6.169 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.135 5.739 -8.351 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.579 7.382 -8.102 1.00 0.00 H new ATOM 1053 N LEU A 71 2.851 8.009 -6.297 1.00 0.00 N ATOM 1054 CA LEU A 71 1.404 7.660 -6.221 1.00 0.00 C ATOM 1055 C LEU A 71 1.123 6.452 -7.118 1.00 0.00 C ATOM 1056 O LEU A 71 1.374 6.478 -8.306 1.00 0.00 O ATOM 1057 CB LEU A 71 0.568 8.851 -6.693 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.919 8.515 -6.561 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -1.715 9.800 -6.324 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.405 7.845 -7.848 1.00 0.00 C ATOM 0 H LEU A 71 3.075 8.806 -6.893 1.00 0.00 H new ATOM 0 HA LEU A 71 1.142 7.417 -5.191 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.806 9.734 -6.100 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.807 9.089 -7.729 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.065 7.838 -5.719 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.774 9.560 -6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.369 10.279 -5.408 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.570 10.478 -7.165 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.464 7.605 -7.756 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.259 8.523 -8.689 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.839 6.929 -8.018 1.00 0.00 H new ATOM 1072 N LEU A 72 0.604 5.395 -6.557 1.00 0.00 N ATOM 1073 CA LEU A 72 0.306 4.187 -7.378 1.00 0.00 C ATOM 1074 C LEU A 72 -1.169 4.197 -7.783 1.00 0.00 C ATOM 1075 O LEU A 72 -1.551 3.619 -8.781 1.00 0.00 O ATOM 1076 CB LEU A 72 0.602 2.928 -6.559 1.00 0.00 C ATOM 1077 CG LEU A 72 2.002 3.032 -5.951 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.055 2.229 -4.651 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.028 2.470 -6.939 1.00 0.00 C ATOM 0 H LEU A 72 0.373 5.315 -5.567 1.00 0.00 H new ATOM 0 HA LEU A 72 0.928 4.193 -8.273 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.141 2.812 -5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.534 2.044 -7.193 1.00 0.00 H new ATOM 0 HG LEU A 72 2.231 4.077 -5.742 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.053 2.303 -4.218 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.324 2.627 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.827 1.184 -4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.026 2.543 -6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.798 1.425 -7.147 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.991 3.041 -7.867 1.00 0.00 H new ATOM 1091 N GLY A 73 -2.001 4.847 -7.018 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.450 4.893 -7.361 1.00 0.00 C ATOM 1093 C GLY A 73 -4.218 5.608 -6.247 1.00 0.00 C ATOM 1094 O GLY A 73 -3.771 5.678 -5.120 1.00 0.00 O ATOM 0 H GLY A 73 -1.740 5.349 -6.169 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.594 5.414 -8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.836 3.882 -7.491 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.369 6.139 -6.554 1.00 0.00 N ATOM 1099 CA LYS A 74 -6.164 6.848 -5.513 1.00 0.00 C ATOM 1100 C LYS A 74 -7.455 6.073 -5.241 1.00 0.00 C ATOM 1101 O LYS A 74 -7.900 5.286 -6.052 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.508 8.256 -6.004 1.00 0.00 C ATOM 1103 CG LYS A 74 -5.974 9.289 -5.009 1.00 0.00 C ATOM 1104 CD LYS A 74 -7.137 10.116 -4.458 1.00 0.00 C ATOM 1105 CE LYS A 74 -7.539 11.178 -5.483 1.00 0.00 C ATOM 1106 NZ LYS A 74 -6.762 12.425 -5.237 1.00 0.00 N ATOM 0 H LYS A 74 -5.793 6.112 -7.481 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.581 6.916 -4.595 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.073 8.425 -6.989 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.588 8.362 -6.110 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -5.452 8.788 -4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.250 9.941 -5.498 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.986 9.468 -4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.847 10.591 -3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.352 10.813 -6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.607 11.382 -5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -7.035 13.147 -5.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -6.962 12.775 -4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.746 12.224 -5.327 1.00 0.00 H new ATOM 1120 N LEU A 75 -8.062 6.291 -4.106 1.00 0.00 N ATOM 1121 CA LEU A 75 -9.324 5.566 -3.783 1.00 0.00 C ATOM 1122 C LEU A 75 -10.519 6.487 -4.036 1.00 0.00 C ATOM 1123 O LEU A 75 -10.385 7.694 -4.084 1.00 0.00 O ATOM 1124 CB LEU A 75 -9.307 5.142 -2.314 1.00 0.00 C ATOM 1125 CG LEU A 75 -10.399 4.100 -2.070 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -10.087 2.836 -2.874 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.450 3.756 -0.580 1.00 0.00 C ATOM 0 H LEU A 75 -7.739 6.940 -3.388 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.407 4.681 -4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.332 4.730 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.467 6.009 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.362 4.502 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.865 2.093 -2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -10.049 3.080 -3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.124 2.433 -2.560 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.228 3.013 -0.405 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.487 3.354 -0.266 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.671 4.656 -0.006 1.00 0.00 H new ATOM 1139 N THR A 76 -11.687 5.928 -4.198 1.00 0.00 N ATOM 1140 CA THR A 76 -12.889 6.772 -4.447 1.00 0.00 C ATOM 1141 C THR A 76 -13.493 7.211 -3.118 1.00 0.00 C ATOM 1142 O THR A 76 -12.837 7.242 -2.095 1.00 0.00 O ATOM 1143 CB THR A 76 -13.925 5.971 -5.249 1.00 0.00 C ATOM 1144 OG1 THR A 76 -14.820 6.866 -5.895 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.711 5.040 -4.320 1.00 0.00 C ATOM 0 H THR A 76 -11.861 4.923 -4.169 1.00 0.00 H new ATOM 0 HA THR A 76 -12.598 7.654 -5.017 1.00 0.00 H new ATOM 0 HB THR A 76 -13.407 5.369 -5.995 1.00 0.00 H new ATOM 0 HG1 THR A 76 -15.480 6.355 -6.408 1.00 0.00 H new ATOM 0 HG21 THR A 76 -15.442 4.478 -4.901 1.00 0.00 H new ATOM 0 HG22 THR A 76 -14.024 4.347 -3.833 1.00 0.00 H new ATOM 0 HG23 THR A 76 -15.227 5.631 -3.563 1.00 0.00 H new