USER MOD reduce.3.24.130724 H: found=0, std=0, add=616, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 615 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 31 THR OG1 : rot -136:sc= 0.829 USER MOD Set 1.2: A 46 THR OG1 : rot -150:sc= 0.705 USER MOD Set 2.1: A 34 LYS NZ :NH3+ -164:sc= 0.755 (180deg=0.392) USER MOD Set 2.2: A 36 THR OG1 : rot 180:sc= 0.378 USER MOD Set 3.1: A 23 LYS NZ :NH3+ -111:sc= 1.02 (180deg=0.515) USER MOD Set 3.2: A 26 GLN : amide:sc= 0.752 K(o=1.5,f=-8.8!) USER MOD Set 3.3: A 51 SER OG : rot 180:sc= -0.254 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.212 (180deg=-0.861) USER MOD Single : A 5 GLN : amide:sc= -0.49 X(o=-0.49,f=-0.78) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ 163:sc= 1.19 (180deg=0.644) USER MOD Single : A -7 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A -9 HIS :FLIP no HD1:sc= -0.357 F(o=-0.87,f=-0.36) USER MOD Single : A 10 CYS SG : rot -49:sc= -1.59! USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 22 GLN : amide:sc= 0.0224 X(o=0.022,f=-0.38) USER MOD Single : A 29 GLN : amide:sc= 0.611 K(o=0.61,f=-0.65) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot -40:sc= 1.06 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00499 USER MOD Single : A -10 SER OG : rot 180:sc= 0 USER MOD Single : A -12 SER OG : rot 180:sc= 0 USER MOD Single : A -14 MET CE :methyl -163:sc= -0.0977 (180deg=-0.541) USER MOD Single : A -14 MET N :NH3+ -171:sc= -0.108 (180deg=-0.184) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -14 43.692 32.096 19.580 1.00 0.00 N ATOM 2 CA MET A -14 42.531 31.717 20.415 1.00 0.00 C ATOM 3 C MET A -14 42.310 30.204 20.400 1.00 0.00 C ATOM 4 O MET A -14 41.580 29.666 21.232 1.00 0.00 O ATOM 5 CB MET A -14 41.258 32.440 19.949 1.00 0.00 C ATOM 6 CG MET A -14 41.295 33.951 20.141 1.00 0.00 C ATOM 7 SD MET A -14 39.761 34.766 19.633 1.00 0.00 S ATOM 8 CE MET A -14 39.736 34.390 17.881 1.00 0.00 C ATOM 0 H1 MET A -14 43.912 33.102 19.728 1.00 0.00 H new ATOM 0 H2 MET A -14 44.515 31.518 19.847 1.00 0.00 H new ATOM 0 H3 MET A -14 43.466 31.935 18.578 1.00 0.00 H new ATOM 0 HA MET A -14 42.751 32.023 21.438 1.00 0.00 H new ATOM 0 HB2 MET A -14 41.095 32.223 18.893 1.00 0.00 H new ATOM 0 HB3 MET A -14 40.404 32.036 20.493 1.00 0.00 H new ATOM 0 HG2 MET A -14 41.488 34.174 21.190 1.00 0.00 H new ATOM 0 HG3 MET A -14 42.126 34.364 19.569 1.00 0.00 H new ATOM 0 HE1 MET A -14 39.038 35.057 17.376 1.00 0.00 H new ATOM 0 HE2 MET A -14 40.734 34.527 17.465 1.00 0.00 H new ATOM 0 HE3 MET A -14 39.421 33.357 17.735 1.00 0.00 H new ATOM 20 N ALA A -13 42.926 29.523 19.448 1.00 0.00 N ATOM 21 CA ALA A -13 42.825 28.078 19.351 1.00 0.00 C ATOM 22 C ALA A -13 44.154 27.435 19.726 1.00 0.00 C ATOM 23 O ALA A -13 45.050 28.114 20.248 1.00 0.00 O ATOM 24 CB ALA A -13 42.416 27.669 17.942 1.00 0.00 C ATOM 0 H ALA A -13 43.505 29.953 18.727 1.00 0.00 H new ATOM 0 HA ALA A -13 42.060 27.732 20.046 1.00 0.00 H new ATOM 0 HB1 ALA A -13 42.344 26.583 17.885 1.00 0.00 H new ATOM 0 HB2 ALA A -13 41.448 28.110 17.702 1.00 0.00 H new ATOM 0 HB3 ALA A -13 43.162 28.021 17.230 1.00 0.00 H new ATOM 30 N SER A -12 44.272 26.127 19.481 1.00 0.00 N ATOM 31 CA SER A -12 45.497 25.377 19.760 1.00 0.00 C ATOM 32 C SER A -12 45.819 25.378 21.250 1.00 0.00 C ATOM 33 O SER A -12 46.987 25.460 21.653 1.00 0.00 O ATOM 34 CB SER A -12 46.671 25.944 18.956 1.00 0.00 C ATOM 35 OG SER A -12 46.416 25.871 17.564 1.00 0.00 O ATOM 0 H SER A -12 43.522 25.560 19.085 1.00 0.00 H new ATOM 0 HA SER A -12 45.333 24.344 19.454 1.00 0.00 H new ATOM 0 HB2 SER A -12 46.846 26.981 19.243 1.00 0.00 H new ATOM 0 HB3 SER A -12 47.579 25.390 19.192 1.00 0.00 H new ATOM 0 HG SER A -12 47.179 26.240 17.072 1.00 0.00 H new ATOM 41 N TRP A -11 44.787 25.281 22.066 1.00 0.00 N ATOM 42 CA TRP A -11 44.962 25.244 23.496 1.00 0.00 C ATOM 43 C TRP A -11 45.545 23.902 23.936 1.00 0.00 C ATOM 44 O TRP A -11 44.989 22.838 23.638 1.00 0.00 O ATOM 45 CB TRP A -11 43.637 25.517 24.228 1.00 0.00 C ATOM 46 CG TRP A -11 43.684 25.105 25.667 1.00 0.00 C ATOM 47 CD1 TRP A -11 42.939 24.131 26.265 1.00 0.00 C ATOM 48 CD2 TRP A -11 44.552 25.626 26.681 1.00 0.00 C ATOM 49 NE1 TRP A -11 43.290 24.014 27.583 1.00 0.00 N ATOM 50 CE2 TRP A -11 44.279 24.920 27.862 1.00 0.00 C ATOM 51 CE3 TRP A -11 45.536 26.622 26.701 1.00 0.00 C ATOM 52 CZ2 TRP A -11 44.950 25.168 29.045 1.00 0.00 C ATOM 53 CZ3 TRP A -11 46.202 26.870 27.883 1.00 0.00 C ATOM 54 CH2 TRP A -11 45.907 26.145 29.041 1.00 0.00 C ATOM 0 H TRP A -11 43.817 25.226 21.756 1.00 0.00 H new ATOM 0 HA TRP A -11 45.665 26.033 23.763 1.00 0.00 H new ATOM 0 HB2 TRP A -11 43.402 26.580 24.165 1.00 0.00 H new ATOM 0 HB3 TRP A -11 42.831 24.982 23.726 1.00 0.00 H new ATOM 0 HD1 TRP A -11 42.183 23.539 25.771 1.00 0.00 H new ATOM 0 HE1 TRP A -11 42.881 23.359 28.249 1.00 0.00 H new ATOM 0 HE3 TRP A -11 45.769 27.185 25.809 1.00 0.00 H new ATOM 0 HZ2 TRP A -11 44.726 24.609 29.942 1.00 0.00 H new ATOM 0 HZ3 TRP A -11 46.963 27.636 27.914 1.00 0.00 H new ATOM 0 HH2 TRP A -11 46.446 26.361 29.952 1.00 0.00 H new ATOM 65 N SER A -10 46.665 23.959 24.627 1.00 0.00 N ATOM 66 CA SER A -10 47.298 22.769 25.135 1.00 0.00 C ATOM 67 C SER A -10 47.016 22.603 26.619 1.00 0.00 C ATOM 68 O SER A -10 47.419 23.426 27.446 1.00 0.00 O ATOM 69 CB SER A -10 48.800 22.800 24.862 1.00 0.00 C ATOM 70 OG SER A -10 49.061 22.986 23.475 1.00 0.00 O ATOM 0 H SER A -10 47.155 24.826 24.849 1.00 0.00 H new ATOM 0 HA SER A -10 46.879 21.908 24.615 1.00 0.00 H new ATOM 0 HB2 SER A -10 49.261 23.605 25.434 1.00 0.00 H new ATOM 0 HB3 SER A -10 49.254 21.869 25.200 1.00 0.00 H new ATOM 0 HG SER A -10 50.029 23.004 23.324 1.00 0.00 H new ATOM 76 N HIS A -9 46.314 21.541 26.939 1.00 0.00 N ATOM 77 CA HIS A -9 45.946 21.239 28.303 1.00 0.00 C ATOM 78 C HIS A -9 46.832 20.128 28.857 1.00 0.00 C ATOM 79 O HIS A -9 46.701 18.968 28.478 1.00 0.00 O ATOM 80 CB HIS A -9 44.449 20.862 28.401 1.00 0.00 C ATOM 81 CG HIS A -9 44.014 19.721 27.512 1.00 0.00 C ATOM 82 ND1 HIS A -9 43.912 19.632 26.161 1.00 0.00 N flip ATOM 83 CD2 HIS A -9 43.608 18.499 27.999 1.00 0.00 C flip ATOM 84 CE1 HIS A -9 43.457 18.369 25.872 1.00 0.00 C flip ATOM 85 NE2 HIS A -9 43.284 17.709 26.999 1.00 0.00 N flip ATOM 0 H HIS A -9 45.981 20.859 26.258 1.00 0.00 H new ATOM 0 HA HIS A -9 46.101 22.132 28.909 1.00 0.00 H new ATOM 0 HB2 HIS A -9 44.223 20.602 29.435 1.00 0.00 H new ATOM 0 HB3 HIS A -9 43.853 21.741 28.155 1.00 0.00 H new ATOM 0 HD2 HIS A -9 43.563 18.230 29.044 1.00 0.00 H new ATOM 0 HE1 HIS A -9 43.271 17.980 24.882 1.00 0.00 H new ATOM 0 HE2 HIS A -9 42.954 16.747 27.082 1.00 0.00 H new ATOM 93 N PRO A -8 47.758 20.476 29.759 1.00 0.00 N ATOM 94 CA PRO A -8 48.687 19.513 30.350 1.00 0.00 C ATOM 95 C PRO A -8 48.017 18.599 31.367 1.00 0.00 C ATOM 96 O PRO A -8 48.623 17.650 31.856 1.00 0.00 O ATOM 97 CB PRO A -8 49.733 20.392 31.022 1.00 0.00 C ATOM 98 CG PRO A -8 49.015 21.655 31.345 1.00 0.00 C ATOM 99 CD PRO A -8 47.981 21.843 30.270 1.00 0.00 C ATOM 0 HA PRO A -8 49.100 18.838 29.600 1.00 0.00 H new ATOM 0 HB2 PRO A -8 50.128 19.920 31.922 1.00 0.00 H new ATOM 0 HB3 PRO A -8 50.580 20.576 30.361 1.00 0.00 H new ATOM 0 HG2 PRO A -8 48.547 21.595 32.328 1.00 0.00 H new ATOM 0 HG3 PRO A -8 49.705 22.498 31.371 1.00 0.00 H new ATOM 0 HD2 PRO A -8 47.064 22.277 30.668 1.00 0.00 H new ATOM 0 HD3 PRO A -8 48.336 22.511 29.485 1.00 0.00 H new ATOM 107 N GLN A -7 46.768 18.897 31.688 1.00 0.00 N ATOM 108 CA GLN A -7 46.009 18.072 32.602 1.00 0.00 C ATOM 109 C GLN A -7 45.553 16.793 31.901 1.00 0.00 C ATOM 110 O GLN A -7 44.480 16.741 31.294 1.00 0.00 O ATOM 111 CB GLN A -7 44.810 18.842 33.184 1.00 0.00 C ATOM 112 CG GLN A -7 43.923 19.512 32.143 1.00 0.00 C ATOM 113 CD GLN A -7 42.670 20.116 32.745 1.00 0.00 C ATOM 114 OE1 GLN A -7 42.657 20.536 33.902 1.00 0.00 O ATOM 115 NE2 GLN A -7 41.604 20.156 31.966 1.00 0.00 N ATOM 0 H GLN A -7 46.262 19.705 31.327 1.00 0.00 H new ATOM 0 HA GLN A -7 46.656 17.799 33.436 1.00 0.00 H new ATOM 0 HB2 GLN A -7 44.203 18.153 33.771 1.00 0.00 H new ATOM 0 HB3 GLN A -7 45.182 19.603 33.870 1.00 0.00 H new ATOM 0 HG2 GLN A -7 44.490 20.292 31.636 1.00 0.00 H new ATOM 0 HG3 GLN A -7 43.641 18.780 31.386 1.00 0.00 H new ATOM 0 HE21 GLN A -7 41.655 19.798 31.012 1.00 0.00 H new ATOM 0 HE22 GLN A -7 40.729 20.545 32.318 1.00 0.00 H new ATOM 124 N PHE A -6 46.391 15.788 31.945 1.00 0.00 N ATOM 125 CA PHE A -6 46.089 14.525 31.320 1.00 0.00 C ATOM 126 C PHE A -6 45.602 13.527 32.351 1.00 0.00 C ATOM 127 O PHE A -6 46.061 13.529 33.499 1.00 0.00 O ATOM 128 CB PHE A -6 47.318 13.972 30.597 1.00 0.00 C ATOM 129 CG PHE A -6 47.832 14.856 29.497 1.00 0.00 C ATOM 130 CD1 PHE A -6 47.048 15.135 28.390 1.00 0.00 C ATOM 131 CD2 PHE A -6 49.100 15.409 29.574 1.00 0.00 C ATOM 132 CE1 PHE A -6 47.518 15.947 27.380 1.00 0.00 C ATOM 133 CE2 PHE A -6 49.575 16.223 28.564 1.00 0.00 C ATOM 134 CZ PHE A -6 48.784 16.491 27.466 1.00 0.00 C ATOM 0 H PHE A -6 47.297 15.821 32.412 1.00 0.00 H new ATOM 0 HA PHE A -6 45.299 14.689 30.587 1.00 0.00 H new ATOM 0 HB2 PHE A -6 48.114 13.815 31.325 1.00 0.00 H new ATOM 0 HB3 PHE A -6 47.072 12.996 30.179 1.00 0.00 H new ATOM 0 HD1 PHE A -6 46.057 14.712 28.317 1.00 0.00 H new ATOM 0 HD2 PHE A -6 49.723 15.202 30.432 1.00 0.00 H new ATOM 0 HE1 PHE A -6 46.896 16.157 26.522 1.00 0.00 H new ATOM 0 HE2 PHE A -6 50.565 16.649 28.634 1.00 0.00 H new ATOM 0 HZ PHE A -6 49.155 17.126 26.675 1.00 0.00 H new ATOM 144 N GLU A -5 44.667 12.692 31.945 1.00 0.00 N ATOM 145 CA GLU A -5 44.125 11.667 32.816 1.00 0.00 C ATOM 146 C GLU A -5 44.982 10.403 32.712 1.00 0.00 C ATOM 147 O GLU A -5 46.205 10.469 32.820 1.00 0.00 O ATOM 148 CB GLU A -5 42.677 11.365 32.427 1.00 0.00 C ATOM 149 CG GLU A -5 41.786 12.596 32.357 1.00 0.00 C ATOM 150 CD GLU A -5 41.800 13.394 33.639 1.00 0.00 C ATOM 151 OE1 GLU A -5 41.103 13.006 34.596 1.00 0.00 O ATOM 152 OE2 GLU A -5 42.504 14.421 33.696 1.00 0.00 O ATOM 0 H GLU A -5 44.263 12.704 31.008 1.00 0.00 H new ATOM 0 HA GLU A -5 44.140 12.020 33.847 1.00 0.00 H new ATOM 0 HB2 GLU A -5 42.668 10.867 31.457 1.00 0.00 H new ATOM 0 HB3 GLU A -5 42.256 10.665 33.149 1.00 0.00 H new ATOM 0 HG2 GLU A -5 42.113 13.231 31.534 1.00 0.00 H new ATOM 0 HG3 GLU A -5 40.764 12.289 32.135 1.00 0.00 H new ATOM 159 N LYS A -4 44.346 9.258 32.462 1.00 0.00 N ATOM 160 CA LYS A -4 45.076 7.995 32.309 1.00 0.00 C ATOM 161 C LYS A -4 45.802 7.948 30.963 1.00 0.00 C ATOM 162 O LYS A -4 46.388 6.938 30.587 1.00 0.00 O ATOM 163 CB LYS A -4 44.129 6.794 32.461 1.00 0.00 C ATOM 164 CG LYS A -4 43.023 6.717 31.413 1.00 0.00 C ATOM 165 CD LYS A -4 42.036 5.606 31.751 1.00 0.00 C ATOM 166 CE LYS A -4 40.890 5.527 30.749 1.00 0.00 C ATOM 167 NZ LYS A -4 41.341 5.094 29.405 1.00 0.00 N ATOM 0 H LYS A -4 43.334 9.177 32.361 1.00 0.00 H new ATOM 0 HA LYS A -4 45.824 7.938 33.100 1.00 0.00 H new ATOM 0 HB2 LYS A -4 44.717 5.877 32.417 1.00 0.00 H new ATOM 0 HB3 LYS A -4 43.672 6.832 33.450 1.00 0.00 H new ATOM 0 HG2 LYS A -4 42.499 7.671 31.359 1.00 0.00 H new ATOM 0 HG3 LYS A -4 43.459 6.537 30.430 1.00 0.00 H new ATOM 0 HD2 LYS A -4 42.561 4.651 31.775 1.00 0.00 H new ATOM 0 HD3 LYS A -4 41.632 5.773 32.750 1.00 0.00 H new ATOM 0 HE2 LYS A -4 40.136 4.831 31.118 1.00 0.00 H new ATOM 0 HE3 LYS A -4 40.411 6.503 30.671 1.00 0.00 H new ATOM 0 HZ1 LYS A -4 40.521 4.780 28.848 1.00 0.00 H new ATOM 0 HZ2 LYS A -4 41.804 5.890 28.921 1.00 0.00 H new ATOM 0 HZ3 LYS A -4 42.015 4.308 29.502 1.00 0.00 H new ATOM 181 N ILE A -3 45.759 9.062 30.256 1.00 0.00 N ATOM 182 CA ILE A -3 46.399 9.190 28.967 1.00 0.00 C ATOM 183 C ILE A -3 47.767 9.842 29.100 1.00 0.00 C ATOM 184 O ILE A -3 48.497 9.961 28.127 1.00 0.00 O ATOM 185 CB ILE A -3 45.533 10.029 28.001 1.00 0.00 C ATOM 186 CG1 ILE A -3 45.317 11.441 28.562 1.00 0.00 C ATOM 187 CG2 ILE A -3 44.205 9.338 27.761 1.00 0.00 C ATOM 188 CD1 ILE A -3 44.488 12.338 27.666 1.00 0.00 C ATOM 0 H ILE A -3 45.276 9.906 30.564 1.00 0.00 H new ATOM 0 HA ILE A -3 46.518 8.184 28.563 1.00 0.00 H new ATOM 0 HB ILE A -3 46.055 10.119 27.048 1.00 0.00 H new ATOM 0 HG12 ILE A -3 44.829 11.364 29.534 1.00 0.00 H new ATOM 0 HG13 ILE A -3 46.288 11.908 28.728 1.00 0.00 H new ATOM 0 HG21 ILE A -3 43.601 9.937 27.079 1.00 0.00 H new ATOM 0 HG22 ILE A -3 44.380 8.355 27.323 1.00 0.00 H new ATOM 0 HG23 ILE A -3 43.677 9.225 28.708 1.00 0.00 H new ATOM 0 HD11 ILE A -3 44.380 13.318 28.131 1.00 0.00 H new ATOM 0 HD12 ILE A -3 44.984 12.447 26.701 1.00 0.00 H new ATOM 0 HD13 ILE A -3 43.503 11.896 27.520 1.00 0.00 H new ATOM 200 N GLU A -2 48.112 10.249 30.316 1.00 0.00 N ATOM 201 CA GLU A -2 49.379 10.926 30.561 1.00 0.00 C ATOM 202 C GLU A -2 50.561 9.999 30.282 1.00 0.00 C ATOM 203 O GLU A -2 51.513 10.380 29.597 1.00 0.00 O ATOM 204 CB GLU A -2 49.441 11.449 32.000 1.00 0.00 C ATOM 205 CG GLU A -2 50.693 12.254 32.308 1.00 0.00 C ATOM 206 CD GLU A -2 50.721 12.768 33.727 1.00 0.00 C ATOM 207 OE1 GLU A -2 51.054 11.987 34.641 1.00 0.00 O ATOM 208 OE2 GLU A -2 50.413 13.956 33.940 1.00 0.00 O ATOM 0 H GLU A -2 47.533 10.122 31.146 1.00 0.00 H new ATOM 0 HA GLU A -2 49.443 11.773 29.878 1.00 0.00 H new ATOM 0 HB2 GLU A -2 48.566 12.070 32.189 1.00 0.00 H new ATOM 0 HB3 GLU A -2 49.386 10.604 32.686 1.00 0.00 H new ATOM 0 HG2 GLU A -2 51.571 11.633 32.134 1.00 0.00 H new ATOM 0 HG3 GLU A -2 50.757 13.097 31.619 1.00 0.00 H new ATOM 215 N GLY A -1 50.480 8.780 30.785 1.00 0.00 N ATOM 216 CA GLY A -1 51.561 7.831 30.609 1.00 0.00 C ATOM 217 C GLY A -1 51.388 6.957 29.387 1.00 0.00 C ATOM 218 O GLY A -1 51.655 5.756 29.434 1.00 0.00 O ATOM 0 H GLY A -1 49.683 8.427 31.314 1.00 0.00 H new ATOM 0 HA2 GLY A -1 52.503 8.373 30.531 1.00 0.00 H new ATOM 0 HA3 GLY A -1 51.630 7.199 31.494 1.00 0.00 H new ATOM 222 N ARG A 0 50.942 7.554 28.289 1.00 0.00 N ATOM 223 CA ARG A 0 50.757 6.827 27.040 1.00 0.00 C ATOM 224 C ARG A 0 50.574 7.772 25.857 1.00 0.00 C ATOM 225 O ARG A 0 51.289 7.674 24.865 1.00 0.00 O ATOM 226 CB ARG A 0 49.585 5.831 27.137 1.00 0.00 C ATOM 227 CG ARG A 0 48.308 6.403 27.732 1.00 0.00 C ATOM 228 CD ARG A 0 47.189 5.375 27.729 1.00 0.00 C ATOM 229 NE ARG A 0 47.573 4.142 28.415 1.00 0.00 N ATOM 230 CZ ARG A 0 46.835 3.029 28.435 1.00 0.00 C ATOM 231 NH1 ARG A 0 45.647 3.001 27.839 1.00 0.00 N ATOM 232 NH2 ARG A 0 47.286 1.948 29.060 1.00 0.00 N ATOM 0 H ARG A 0 50.701 8.544 28.239 1.00 0.00 H new ATOM 0 HA ARG A 0 51.669 6.256 26.865 1.00 0.00 H new ATOM 0 HB2 ARG A 0 49.366 5.452 26.139 1.00 0.00 H new ATOM 0 HB3 ARG A 0 49.900 4.979 27.740 1.00 0.00 H new ATOM 0 HG2 ARG A 0 48.497 6.735 28.753 1.00 0.00 H new ATOM 0 HG3 ARG A 0 48.000 7.280 27.163 1.00 0.00 H new ATOM 0 HD2 ARG A 0 46.307 5.798 28.211 1.00 0.00 H new ATOM 0 HD3 ARG A 0 46.911 5.146 26.700 1.00 0.00 H new ATOM 0 HE ARG A 0 48.464 4.131 28.911 1.00 0.00 H new ATOM 0 HH11 ARG A 0 45.295 3.832 27.364 1.00 0.00 H new ATOM 0 HH12 ARG A 0 45.087 2.148 27.857 1.00 0.00 H new ATOM 0 HH21 ARG A 0 48.194 1.969 29.524 1.00 0.00 H new ATOM 0 HH22 ARG A 0 46.724 1.097 29.077 1.00 0.00 H new ATOM 246 N MET A 1 49.640 8.694 25.970 1.00 0.00 N ATOM 247 CA MET A 1 49.363 9.621 24.889 1.00 0.00 C ATOM 248 C MET A 1 50.156 10.899 25.079 1.00 0.00 C ATOM 249 O MET A 1 49.961 11.626 26.055 1.00 0.00 O ATOM 250 CB MET A 1 47.862 9.929 24.804 1.00 0.00 C ATOM 251 CG MET A 1 46.986 8.698 24.638 1.00 0.00 C ATOM 252 SD MET A 1 47.391 7.746 23.165 1.00 0.00 S ATOM 253 CE MET A 1 46.317 6.328 23.382 1.00 0.00 C ATOM 0 H MET A 1 49.059 8.822 26.799 1.00 0.00 H new ATOM 0 HA MET A 1 49.667 9.155 23.951 1.00 0.00 H new ATOM 0 HB2 MET A 1 47.559 10.459 25.707 1.00 0.00 H new ATOM 0 HB3 MET A 1 47.687 10.603 23.965 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.092 8.062 25.517 1.00 0.00 H new ATOM 0 HG3 MET A 1 45.941 9.005 24.591 1.00 0.00 H new ATOM 0 HE1 MET A 1 46.652 5.516 22.737 1.00 0.00 H new ATOM 0 HE2 MET A 1 46.350 6.003 24.422 1.00 0.00 H new ATOM 0 HE3 MET A 1 45.295 6.602 23.119 1.00 0.00 H new ATOM 263 N ASP A 2 51.054 11.161 24.155 1.00 0.00 N ATOM 264 CA ASP A 2 51.903 12.339 24.211 1.00 0.00 C ATOM 265 C ASP A 2 52.147 12.865 22.804 1.00 0.00 C ATOM 266 O ASP A 2 52.176 12.092 21.843 1.00 0.00 O ATOM 267 CB ASP A 2 53.233 11.994 24.897 1.00 0.00 C ATOM 268 CG ASP A 2 54.216 13.151 24.934 1.00 0.00 C ATOM 269 OD1 ASP A 2 53.795 14.288 25.242 1.00 0.00 O ATOM 270 OD2 ASP A 2 55.420 12.922 24.665 1.00 0.00 O ATOM 0 H ASP A 2 51.219 10.566 23.343 1.00 0.00 H new ATOM 0 HA ASP A 2 51.405 13.115 24.792 1.00 0.00 H new ATOM 0 HB2 ASP A 2 53.032 11.666 25.917 1.00 0.00 H new ATOM 0 HB3 ASP A 2 53.693 11.154 24.377 1.00 0.00 H new ATOM 275 N VAL A 3 52.307 14.172 22.678 1.00 0.00 N ATOM 276 CA VAL A 3 52.534 14.781 21.378 1.00 0.00 C ATOM 277 C VAL A 3 53.862 14.302 20.788 1.00 0.00 C ATOM 278 O VAL A 3 54.903 14.346 21.446 1.00 0.00 O ATOM 279 CB VAL A 3 52.491 16.336 21.446 1.00 0.00 C ATOM 280 CG1 VAL A 3 53.518 16.881 22.427 1.00 0.00 C ATOM 281 CG2 VAL A 3 52.689 16.945 20.063 1.00 0.00 C ATOM 0 H VAL A 3 52.284 14.830 23.457 1.00 0.00 H new ATOM 0 HA VAL A 3 51.722 14.465 20.723 1.00 0.00 H new ATOM 0 HB VAL A 3 51.504 16.622 21.809 1.00 0.00 H new ATOM 0 HG11 VAL A 3 53.459 17.969 22.448 1.00 0.00 H new ATOM 0 HG12 VAL A 3 53.315 16.487 23.423 1.00 0.00 H new ATOM 0 HG13 VAL A 3 54.517 16.578 22.114 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.655 18.032 20.136 1.00 0.00 H new ATOM 0 HG22 VAL A 3 53.656 16.638 19.665 1.00 0.00 H new ATOM 0 HG23 VAL A 3 51.897 16.601 19.397 1.00 0.00 H new ATOM 291 N GLY A 4 53.810 13.821 19.564 1.00 0.00 N ATOM 292 CA GLY A 4 54.994 13.302 18.928 1.00 0.00 C ATOM 293 C GLY A 4 55.014 11.789 18.928 1.00 0.00 C ATOM 294 O GLY A 4 55.798 11.169 18.205 1.00 0.00 O ATOM 0 H GLY A 4 52.964 13.780 18.995 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.045 13.666 17.902 1.00 0.00 H new ATOM 0 HA3 GLY A 4 55.878 13.677 19.444 1.00 0.00 H new ATOM 298 N GLN A 5 54.146 11.189 19.736 1.00 0.00 N ATOM 299 CA GLN A 5 54.057 9.737 19.813 1.00 0.00 C ATOM 300 C GLN A 5 53.316 9.173 18.622 1.00 0.00 C ATOM 301 O GLN A 5 52.478 9.846 18.022 1.00 0.00 O ATOM 302 CB GLN A 5 53.375 9.289 21.107 1.00 0.00 C ATOM 303 CG GLN A 5 54.246 9.426 22.338 1.00 0.00 C ATOM 304 CD GLN A 5 55.564 8.705 22.177 1.00 0.00 C ATOM 305 OE1 GLN A 5 56.552 9.291 21.738 1.00 0.00 O ATOM 306 NE2 GLN A 5 55.583 7.430 22.501 1.00 0.00 N ATOM 0 H GLN A 5 53.496 11.685 20.345 1.00 0.00 H new ATOM 0 HA GLN A 5 55.077 9.351 19.807 1.00 0.00 H new ATOM 0 HB2 GLN A 5 52.467 9.875 21.249 1.00 0.00 H new ATOM 0 HB3 GLN A 5 53.070 8.248 21.004 1.00 0.00 H new ATOM 0 HG2 GLN A 5 54.431 10.482 22.536 1.00 0.00 H new ATOM 0 HG3 GLN A 5 53.717 9.027 23.204 1.00 0.00 H new ATOM 0 HE21 GLN A 5 54.740 6.983 22.862 1.00 0.00 H new ATOM 0 HE22 GLN A 5 56.441 6.889 22.391 1.00 0.00 H new ATOM 315 N LYS A 6 53.633 7.947 18.284 1.00 0.00 N ATOM 316 CA LYS A 6 53.002 7.272 17.179 1.00 0.00 C ATOM 317 C LYS A 6 51.874 6.404 17.700 1.00 0.00 C ATOM 318 O LYS A 6 52.053 5.661 18.650 1.00 0.00 O ATOM 319 CB LYS A 6 54.036 6.426 16.429 1.00 0.00 C ATOM 320 CG LYS A 6 55.202 7.246 15.889 1.00 0.00 C ATOM 321 CD LYS A 6 56.225 6.380 15.169 1.00 0.00 C ATOM 322 CE LYS A 6 55.666 5.792 13.884 1.00 0.00 C ATOM 323 NZ LYS A 6 56.699 5.048 13.127 1.00 0.00 N ATOM 0 H LYS A 6 54.337 7.390 18.768 1.00 0.00 H new ATOM 0 HA LYS A 6 52.590 8.005 16.485 1.00 0.00 H new ATOM 0 HB2 LYS A 6 54.420 5.656 17.098 1.00 0.00 H new ATOM 0 HB3 LYS A 6 53.546 5.914 15.601 1.00 0.00 H new ATOM 0 HG2 LYS A 6 54.824 8.005 15.204 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.687 7.771 16.712 1.00 0.00 H new ATOM 0 HD2 LYS A 6 57.109 6.976 14.941 1.00 0.00 H new ATOM 0 HD3 LYS A 6 56.546 5.573 15.828 1.00 0.00 H new ATOM 0 HE2 LYS A 6 54.837 5.125 14.120 1.00 0.00 H new ATOM 0 HE3 LYS A 6 55.265 6.592 13.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 56.281 4.661 12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 57.479 5.690 12.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 57.064 4.269 13.711 1.00 0.00 H new ATOM 337 N VAL A 7 50.716 6.516 17.098 1.00 0.00 N ATOM 338 CA VAL A 7 49.564 5.748 17.538 1.00 0.00 C ATOM 339 C VAL A 7 48.866 5.086 16.375 1.00 0.00 C ATOM 340 O VAL A 7 48.833 5.621 15.273 1.00 0.00 O ATOM 341 CB VAL A 7 48.549 6.609 18.330 1.00 0.00 C ATOM 342 CG1 VAL A 7 49.092 6.966 19.703 1.00 0.00 C ATOM 343 CG2 VAL A 7 48.196 7.867 17.559 1.00 0.00 C ATOM 0 H VAL A 7 50.540 7.129 16.302 1.00 0.00 H new ATOM 0 HA VAL A 7 49.951 4.979 18.207 1.00 0.00 H new ATOM 0 HB VAL A 7 47.643 6.018 18.464 1.00 0.00 H new ATOM 0 HG11 VAL A 7 48.360 7.571 20.238 1.00 0.00 H new ATOM 0 HG12 VAL A 7 49.289 6.053 20.265 1.00 0.00 H new ATOM 0 HG13 VAL A 7 50.018 7.531 19.593 1.00 0.00 H new ATOM 0 HG21 VAL A 7 47.482 8.457 18.133 1.00 0.00 H new ATOM 0 HG22 VAL A 7 49.098 8.454 17.388 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.754 7.594 16.601 1.00 0.00 H new ATOM 353 N ARG A 8 48.314 3.927 16.624 1.00 0.00 N ATOM 354 CA ARG A 8 47.630 3.170 15.598 1.00 0.00 C ATOM 355 C ARG A 8 46.198 2.883 16.012 1.00 0.00 C ATOM 356 O ARG A 8 45.925 2.626 17.182 1.00 0.00 O ATOM 357 CB ARG A 8 48.384 1.868 15.321 1.00 0.00 C ATOM 358 CG ARG A 8 47.694 0.940 14.339 1.00 0.00 C ATOM 359 CD ARG A 8 48.561 -0.256 14.016 1.00 0.00 C ATOM 360 NE ARG A 8 48.941 -0.998 15.219 1.00 0.00 N ATOM 361 CZ ARG A 8 50.025 -1.768 15.311 1.00 0.00 C ATOM 362 NH1 ARG A 8 50.791 -1.973 14.244 1.00 0.00 N ATOM 363 NH2 ARG A 8 50.336 -2.341 16.467 1.00 0.00 N ATOM 0 H ARG A 8 48.324 3.479 17.540 1.00 0.00 H new ATOM 0 HA ARG A 8 47.605 3.761 14.682 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.375 2.111 14.937 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.528 1.338 16.263 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.746 0.603 14.758 1.00 0.00 H new ATOM 0 HG3 ARG A 8 47.462 1.483 13.423 1.00 0.00 H new ATOM 0 HD2 ARG A 8 48.026 -0.918 13.335 1.00 0.00 H new ATOM 0 HD3 ARG A 8 49.459 0.077 13.496 1.00 0.00 H new ATOM 0 HE ARG A 8 48.338 -0.921 16.038 1.00 0.00 H new ATOM 0 HH11 ARG A 8 50.550 -1.541 13.352 1.00 0.00 H new ATOM 0 HH12 ARG A 8 51.620 -2.563 14.317 1.00 0.00 H new ATOM 0 HH21 ARG A 8 49.745 -2.192 17.285 1.00 0.00 H new ATOM 0 HH22 ARG A 8 51.166 -2.930 16.537 1.00 0.00 H new ATOM 377 N VAL A 9 45.288 2.944 15.058 1.00 0.00 N ATOM 378 CA VAL A 9 43.885 2.687 15.330 1.00 0.00 C ATOM 379 C VAL A 9 43.622 1.181 15.344 1.00 0.00 C ATOM 380 O VAL A 9 43.695 0.513 14.301 1.00 0.00 O ATOM 381 CB VAL A 9 42.972 3.361 14.284 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.525 3.350 14.751 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.436 4.782 14.003 1.00 0.00 C ATOM 0 H VAL A 9 45.495 3.170 14.085 1.00 0.00 H new ATOM 0 HA VAL A 9 43.654 3.111 16.307 1.00 0.00 H new ATOM 0 HB VAL A 9 43.036 2.792 13.356 1.00 0.00 H new ATOM 0 HG11 VAL A 9 40.897 3.830 14.000 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.197 2.321 14.895 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.443 3.892 15.693 1.00 0.00 H new ATOM 0 HG21 VAL A 9 42.779 5.240 13.263 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.406 5.364 14.924 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.456 4.763 13.620 1.00 0.00 H new ATOM 393 N CYS A 10 43.335 0.652 16.523 1.00 0.00 N ATOM 394 CA CYS A 10 43.102 -0.778 16.687 1.00 0.00 C ATOM 395 C CYS A 10 41.662 -1.132 16.391 1.00 0.00 C ATOM 396 O CYS A 10 41.359 -2.232 15.919 1.00 0.00 O ATOM 397 CB CYS A 10 43.420 -1.194 18.117 1.00 0.00 C ATOM 398 SG CYS A 10 44.861 -0.381 18.818 1.00 0.00 S ATOM 0 H CYS A 10 43.257 1.192 17.385 1.00 0.00 H new ATOM 0 HA CYS A 10 43.750 -1.304 15.986 1.00 0.00 H new ATOM 0 HB2 CYS A 10 42.555 -0.982 18.746 1.00 0.00 H new ATOM 0 HB3 CYS A 10 43.577 -2.272 18.143 1.00 0.00 H new ATOM 0 HG CYS A 10 45.853 -0.458 17.981 1.00 0.00 H new ATOM 404 N ARG A 11 40.778 -0.201 16.662 1.00 0.00 N ATOM 405 CA ARG A 11 39.363 -0.436 16.527 1.00 0.00 C ATOM 406 C ARG A 11 38.629 0.870 16.405 1.00 0.00 C ATOM 407 O ARG A 11 39.209 1.922 16.580 1.00 0.00 O ATOM 408 CB ARG A 11 38.859 -1.167 17.773 1.00 0.00 C ATOM 409 CG ARG A 11 39.228 -0.453 19.067 1.00 0.00 C ATOM 410 CD ARG A 11 38.784 -1.222 20.292 1.00 0.00 C ATOM 411 NE ARG A 11 39.266 -0.593 21.519 1.00 0.00 N ATOM 412 CZ ARG A 11 39.394 -1.218 22.690 1.00 0.00 C ATOM 413 NH1 ARG A 11 39.035 -2.493 22.814 1.00 0.00 N ATOM 414 NH2 ARG A 11 39.881 -0.566 23.729 1.00 0.00 N ATOM 0 H ARG A 11 41.020 0.737 16.981 1.00 0.00 H new ATOM 0 HA ARG A 11 39.185 -1.035 15.634 1.00 0.00 H new ATOM 0 HB2 ARG A 11 37.775 -1.268 17.716 1.00 0.00 H new ATOM 0 HB3 ARG A 11 39.273 -2.175 17.789 1.00 0.00 H new ATOM 0 HG2 ARG A 11 40.307 -0.307 19.104 1.00 0.00 H new ATOM 0 HG3 ARG A 11 38.772 0.537 19.076 1.00 0.00 H new ATOM 0 HD2 ARG A 11 37.696 -1.279 20.313 1.00 0.00 H new ATOM 0 HD3 ARG A 11 39.155 -2.245 20.236 1.00 0.00 H new ATOM 0 HE ARG A 11 39.523 0.393 21.477 1.00 0.00 H new ATOM 0 HH11 ARG A 11 38.660 -2.998 22.011 1.00 0.00 H new ATOM 0 HH12 ARG A 11 39.135 -2.966 23.712 1.00 0.00 H new ATOM 0 HH21 ARG A 11 40.157 0.411 23.634 1.00 0.00 H new ATOM 0 HH22 ARG A 11 39.981 -1.039 24.627 1.00 0.00 H new ATOM 428 N ILE A 12 37.370 0.780 16.065 1.00 0.00 N ATOM 429 CA ILE A 12 36.472 1.910 16.073 1.00 0.00 C ATOM 430 C ILE A 12 35.226 1.469 16.808 1.00 0.00 C ATOM 431 O ILE A 12 34.767 0.340 16.610 1.00 0.00 O ATOM 432 CB ILE A 12 36.095 2.386 14.643 1.00 0.00 C ATOM 433 CG1 ILE A 12 37.341 2.822 13.872 1.00 0.00 C ATOM 434 CG2 ILE A 12 35.101 3.539 14.715 1.00 0.00 C ATOM 435 CD1 ILE A 12 37.075 3.146 12.419 1.00 0.00 C ATOM 0 H ILE A 12 36.931 -0.092 15.770 1.00 0.00 H new ATOM 0 HA ILE A 12 36.961 2.755 16.557 1.00 0.00 H new ATOM 0 HB ILE A 12 35.634 1.550 14.116 1.00 0.00 H new ATOM 0 HG12 ILE A 12 37.770 3.699 14.358 1.00 0.00 H new ATOM 0 HG13 ILE A 12 38.087 2.030 13.928 1.00 0.00 H new ATOM 0 HG21 ILE A 12 34.846 3.863 13.706 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.198 3.210 15.230 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.547 4.370 15.261 1.00 0.00 H new ATOM 0 HD11 ILE A 12 38.005 3.447 11.937 1.00 0.00 H new ATOM 0 HD12 ILE A 12 36.675 2.265 11.917 1.00 0.00 H new ATOM 0 HD13 ILE A 12 36.353 3.960 12.354 1.00 0.00 H new ATOM 447 N ARG A 13 34.695 2.304 17.668 1.00 0.00 N ATOM 448 CA ARG A 13 33.532 1.906 18.448 1.00 0.00 C ATOM 449 C ARG A 13 32.226 1.941 17.622 1.00 0.00 C ATOM 450 O ARG A 13 32.248 1.765 16.401 1.00 0.00 O ATOM 451 CB ARG A 13 33.424 2.720 19.745 1.00 0.00 C ATOM 452 CG ARG A 13 33.128 4.197 19.577 1.00 0.00 C ATOM 453 CD ARG A 13 33.140 4.879 20.931 1.00 0.00 C ATOM 454 NE ARG A 13 32.507 6.190 20.911 1.00 0.00 N ATOM 455 CZ ARG A 13 32.724 7.129 21.829 1.00 0.00 C ATOM 456 NH1 ARG A 13 33.623 6.930 22.793 1.00 0.00 N ATOM 457 NH2 ARG A 13 32.054 8.273 21.782 1.00 0.00 N ATOM 0 H ARG A 13 35.036 3.248 17.849 1.00 0.00 H new ATOM 0 HA ARG A 13 33.679 0.864 18.732 1.00 0.00 H new ATOM 0 HB2 ARG A 13 32.641 2.280 20.363 1.00 0.00 H new ATOM 0 HB3 ARG A 13 34.360 2.617 20.295 1.00 0.00 H new ATOM 0 HG2 ARG A 13 33.870 4.654 18.922 1.00 0.00 H new ATOM 0 HG3 ARG A 13 32.157 4.331 19.100 1.00 0.00 H new ATOM 0 HD2 ARG A 13 32.629 4.245 21.656 1.00 0.00 H new ATOM 0 HD3 ARG A 13 34.171 4.984 21.270 1.00 0.00 H new ATOM 0 HE ARG A 13 31.861 6.401 20.151 1.00 0.00 H new ATOM 0 HH11 ARG A 13 34.147 6.056 22.829 1.00 0.00 H new ATOM 0 HH12 ARG A 13 33.787 7.652 23.495 1.00 0.00 H new ATOM 0 HH21 ARG A 13 31.371 8.434 21.042 1.00 0.00 H new ATOM 0 HH22 ARG A 13 32.222 8.991 22.486 1.00 0.00 H new ATOM 471 N ASP A 14 31.100 2.157 18.302 1.00 0.00 N ATOM 472 CA ASP A 14 29.750 2.130 17.691 1.00 0.00 C ATOM 473 C ASP A 14 29.487 3.310 16.733 1.00 0.00 C ATOM 474 O ASP A 14 28.365 3.812 16.646 1.00 0.00 O ATOM 475 CB ASP A 14 28.687 2.122 18.798 1.00 0.00 C ATOM 476 CG ASP A 14 28.711 3.384 19.648 1.00 0.00 C ATOM 477 OD1 ASP A 14 29.782 3.722 20.199 1.00 0.00 O ATOM 478 OD2 ASP A 14 27.661 4.035 19.788 1.00 0.00 O ATOM 0 H ASP A 14 31.088 2.358 19.302 1.00 0.00 H new ATOM 0 HA ASP A 14 29.694 1.221 17.092 1.00 0.00 H new ATOM 0 HB2 ASP A 14 27.701 2.012 18.347 1.00 0.00 H new ATOM 0 HB3 ASP A 14 28.843 1.255 19.439 1.00 0.00 H new ATOM 483 N ARG A 15 30.496 3.718 16.002 1.00 0.00 N ATOM 484 CA ARG A 15 30.358 4.793 15.043 1.00 0.00 C ATOM 485 C ARG A 15 31.486 4.733 14.047 1.00 0.00 C ATOM 486 O ARG A 15 32.539 5.309 14.269 1.00 0.00 O ATOM 487 CB ARG A 15 30.355 6.151 15.745 1.00 0.00 C ATOM 488 CG ARG A 15 29.989 7.311 14.836 1.00 0.00 C ATOM 489 CD ARG A 15 29.688 8.554 15.644 1.00 0.00 C ATOM 490 NE ARG A 15 28.565 8.334 16.556 1.00 0.00 N ATOM 491 CZ ARG A 15 28.268 9.109 17.596 1.00 0.00 C ATOM 492 NH1 ARG A 15 29.003 10.184 17.863 1.00 0.00 N ATOM 493 NH2 ARG A 15 27.232 8.806 18.370 1.00 0.00 N ATOM 0 H ARG A 15 31.433 3.318 16.053 1.00 0.00 H new ATOM 0 HA ARG A 15 29.407 4.674 14.523 1.00 0.00 H new ATOM 0 HB2 ARG A 15 29.651 6.118 16.577 1.00 0.00 H new ATOM 0 HB3 ARG A 15 31.342 6.332 16.170 1.00 0.00 H new ATOM 0 HG2 ARG A 15 30.809 7.510 14.146 1.00 0.00 H new ATOM 0 HG3 ARG A 15 29.121 7.046 14.232 1.00 0.00 H new ATOM 0 HD2 ARG A 15 30.571 8.843 16.214 1.00 0.00 H new ATOM 0 HD3 ARG A 15 29.457 9.381 14.972 1.00 0.00 H new ATOM 0 HE ARG A 15 27.966 7.527 16.382 1.00 0.00 H new ATOM 0 HH11 ARG A 15 29.799 10.418 17.269 1.00 0.00 H new ATOM 0 HH12 ARG A 15 28.771 10.775 18.661 1.00 0.00 H new ATOM 0 HH21 ARG A 15 26.667 7.982 18.166 1.00 0.00 H new ATOM 0 HH22 ARG A 15 27.001 9.398 19.168 1.00 0.00 H new ATOM 507 N VAL A 16 31.284 4.001 12.969 1.00 0.00 N ATOM 508 CA VAL A 16 32.306 3.878 11.952 1.00 0.00 C ATOM 509 C VAL A 16 31.904 4.627 10.689 1.00 0.00 C ATOM 510 O VAL A 16 30.941 4.257 10.019 1.00 0.00 O ATOM 511 CB VAL A 16 32.549 2.392 11.582 1.00 0.00 C ATOM 512 CG1 VAL A 16 33.713 2.256 10.616 1.00 0.00 C ATOM 513 CG2 VAL A 16 32.781 1.550 12.829 1.00 0.00 C ATOM 0 H VAL A 16 30.425 3.485 12.776 1.00 0.00 H new ATOM 0 HA VAL A 16 33.220 4.307 12.363 1.00 0.00 H new ATOM 0 HB VAL A 16 31.652 2.020 11.086 1.00 0.00 H new ATOM 0 HG11 VAL A 16 33.863 1.204 10.372 1.00 0.00 H new ATOM 0 HG12 VAL A 16 33.496 2.812 9.704 1.00 0.00 H new ATOM 0 HG13 VAL A 16 34.617 2.654 11.077 1.00 0.00 H new ATOM 0 HG21 VAL A 16 32.949 0.512 12.541 1.00 0.00 H new ATOM 0 HG22 VAL A 16 33.654 1.924 13.363 1.00 0.00 H new ATOM 0 HG23 VAL A 16 31.906 1.610 13.477 1.00 0.00 H new ATOM 523 N ALA A 17 32.617 5.693 10.384 1.00 0.00 N ATOM 524 CA ALA A 17 32.410 6.417 9.145 1.00 0.00 C ATOM 525 C ALA A 17 33.284 5.822 8.047 1.00 0.00 C ATOM 526 O ALA A 17 34.296 5.174 8.339 1.00 0.00 O ATOM 527 CB ALA A 17 32.692 7.898 9.327 1.00 0.00 C ATOM 0 H ALA A 17 33.349 6.079 10.981 1.00 0.00 H new ATOM 0 HA ALA A 17 31.365 6.318 8.851 1.00 0.00 H new ATOM 0 HB1 ALA A 17 32.529 8.418 8.383 1.00 0.00 H new ATOM 0 HB2 ALA A 17 32.023 8.305 10.086 1.00 0.00 H new ATOM 0 HB3 ALA A 17 33.726 8.035 9.643 1.00 0.00 H new ATOM 533 N GLN A 18 32.922 6.053 6.799 1.00 0.00 N ATOM 534 CA GLN A 18 33.683 5.519 5.672 1.00 0.00 C ATOM 535 C GLN A 18 35.076 6.149 5.599 1.00 0.00 C ATOM 536 O GLN A 18 36.056 5.480 5.277 1.00 0.00 O ATOM 537 CB GLN A 18 32.938 5.749 4.359 1.00 0.00 C ATOM 538 CG GLN A 18 33.662 5.201 3.141 1.00 0.00 C ATOM 539 CD GLN A 18 32.953 5.527 1.849 1.00 0.00 C ATOM 540 OE1 GLN A 18 31.731 5.653 1.813 1.00 0.00 O ATOM 541 NE2 GLN A 18 33.708 5.652 0.782 1.00 0.00 N ATOM 0 H GLN A 18 32.107 6.606 6.534 1.00 0.00 H new ATOM 0 HA GLN A 18 33.797 4.446 5.829 1.00 0.00 H new ATOM 0 HB2 GLN A 18 31.954 5.286 4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 18 32.778 6.819 4.225 1.00 0.00 H new ATOM 0 HG2 GLN A 18 34.672 5.609 3.110 1.00 0.00 H new ATOM 0 HG3 GLN A 18 33.758 4.119 3.236 1.00 0.00 H new ATOM 0 HE21 GLN A 18 34.719 5.539 0.857 1.00 0.00 H new ATOM 0 HE22 GLN A 18 33.283 5.862 -0.121 1.00 0.00 H new ATOM 550 N ASP A 19 35.158 7.432 5.913 1.00 0.00 N ATOM 551 CA ASP A 19 36.435 8.153 5.871 1.00 0.00 C ATOM 552 C ASP A 19 37.310 7.787 7.066 1.00 0.00 C ATOM 553 O ASP A 19 38.519 8.027 7.064 1.00 0.00 O ATOM 554 CB ASP A 19 36.204 9.669 5.856 1.00 0.00 C ATOM 555 CG ASP A 19 35.426 10.148 4.647 1.00 0.00 C ATOM 556 OD1 ASP A 19 36.043 10.378 3.588 1.00 0.00 O ATOM 557 OD2 ASP A 19 34.197 10.320 4.759 1.00 0.00 O ATOM 0 H ASP A 19 34.361 8.001 6.200 1.00 0.00 H new ATOM 0 HA ASP A 19 36.946 7.859 4.954 1.00 0.00 H new ATOM 0 HB2 ASP A 19 35.668 9.956 6.761 1.00 0.00 H new ATOM 0 HB3 ASP A 19 37.168 10.176 5.882 1.00 0.00 H new ATOM 562 N ILE A 20 36.694 7.201 8.078 1.00 0.00 N ATOM 563 CA ILE A 20 37.393 6.832 9.304 1.00 0.00 C ATOM 564 C ILE A 20 37.880 5.395 9.238 1.00 0.00 C ATOM 565 O ILE A 20 38.986 5.085 9.672 1.00 0.00 O ATOM 566 CB ILE A 20 36.463 6.963 10.524 1.00 0.00 C ATOM 567 CG1 ILE A 20 35.845 8.357 10.590 1.00 0.00 C ATOM 568 CG2 ILE A 20 37.216 6.648 11.812 1.00 0.00 C ATOM 569 CD1 ILE A 20 36.748 9.424 11.168 1.00 0.00 C ATOM 0 H ILE A 20 35.701 6.967 8.077 1.00 0.00 H new ATOM 0 HA ILE A 20 38.241 7.509 9.406 1.00 0.00 H new ATOM 0 HB ILE A 20 35.656 6.239 10.413 1.00 0.00 H new ATOM 0 HG12 ILE A 20 35.550 8.656 9.584 1.00 0.00 H new ATOM 0 HG13 ILE A 20 34.935 8.308 11.188 1.00 0.00 H new ATOM 0 HG21 ILE A 20 36.541 6.747 12.662 1.00 0.00 H new ATOM 0 HG22 ILE A 20 37.599 5.628 11.769 1.00 0.00 H new ATOM 0 HG23 ILE A 20 38.047 7.344 11.927 1.00 0.00 H new ATOM 0 HD11 ILE A 20 36.224 10.380 11.175 1.00 0.00 H new ATOM 0 HD12 ILE A 20 37.024 9.154 12.187 1.00 0.00 H new ATOM 0 HD13 ILE A 20 37.648 9.508 10.559 1.00 0.00 H new ATOM 581 N ILE A 21 37.050 4.518 8.681 1.00 0.00 N ATOM 582 CA ILE A 21 37.370 3.098 8.619 1.00 0.00 C ATOM 583 C ILE A 21 38.676 2.845 7.845 1.00 0.00 C ATOM 584 O ILE A 21 39.368 1.853 8.074 1.00 0.00 O ATOM 585 CB ILE A 21 36.209 2.269 7.994 1.00 0.00 C ATOM 586 CG1 ILE A 21 36.473 0.767 8.149 1.00 0.00 C ATOM 587 CG2 ILE A 21 36.008 2.627 6.527 1.00 0.00 C ATOM 588 CD1 ILE A 21 35.369 -0.108 7.599 1.00 0.00 C ATOM 0 H ILE A 21 36.152 4.767 8.267 1.00 0.00 H new ATOM 0 HA ILE A 21 37.509 2.766 9.648 1.00 0.00 H new ATOM 0 HB ILE A 21 35.293 2.517 8.531 1.00 0.00 H new ATOM 0 HG12 ILE A 21 37.406 0.518 7.644 1.00 0.00 H new ATOM 0 HG13 ILE A 21 36.612 0.539 9.206 1.00 0.00 H new ATOM 0 HG21 ILE A 21 35.191 2.033 6.116 1.00 0.00 H new ATOM 0 HG22 ILE A 21 35.766 3.686 6.441 1.00 0.00 H new ATOM 0 HG23 ILE A 21 36.923 2.418 5.973 1.00 0.00 H new ATOM 0 HD11 ILE A 21 35.629 -1.156 7.746 1.00 0.00 H new ATOM 0 HD12 ILE A 21 34.437 0.111 8.120 1.00 0.00 H new ATOM 0 HD13 ILE A 21 35.244 0.090 6.534 1.00 0.00 H new ATOM 600 N GLN A 22 39.021 3.774 6.960 1.00 0.00 N ATOM 601 CA GLN A 22 40.229 3.671 6.144 1.00 0.00 C ATOM 602 C GLN A 22 41.487 3.925 6.978 1.00 0.00 C ATOM 603 O GLN A 22 42.606 3.821 6.479 1.00 0.00 O ATOM 604 CB GLN A 22 40.170 4.683 5.005 1.00 0.00 C ATOM 605 CG GLN A 22 38.977 4.509 4.087 1.00 0.00 C ATOM 606 CD GLN A 22 38.832 5.655 3.110 1.00 0.00 C ATOM 607 OE1 GLN A 22 39.818 6.272 2.705 1.00 0.00 O ATOM 608 NE2 GLN A 22 37.608 5.953 2.736 1.00 0.00 N ATOM 0 H GLN A 22 38.474 4.618 6.787 1.00 0.00 H new ATOM 0 HA GLN A 22 40.278 2.659 5.743 1.00 0.00 H new ATOM 0 HB2 GLN A 22 40.148 5.688 5.426 1.00 0.00 H new ATOM 0 HB3 GLN A 22 41.084 4.605 4.416 1.00 0.00 H new ATOM 0 HG2 GLN A 22 39.079 3.575 3.535 1.00 0.00 H new ATOM 0 HG3 GLN A 22 38.070 4.428 4.686 1.00 0.00 H new ATOM 0 HE21 GLN A 22 36.820 5.415 3.096 1.00 0.00 H new ATOM 0 HE22 GLN A 22 37.446 6.722 2.085 1.00 0.00 H new ATOM 617 N LYS A 23 41.301 4.269 8.236 1.00 0.00 N ATOM 618 CA LYS A 23 42.416 4.563 9.117 1.00 0.00 C ATOM 619 C LYS A 23 42.684 3.392 10.072 1.00 0.00 C ATOM 620 O LYS A 23 43.628 3.424 10.859 1.00 0.00 O ATOM 621 CB LYS A 23 42.125 5.847 9.903 1.00 0.00 C ATOM 622 CG LYS A 23 41.678 7.029 9.031 1.00 0.00 C ATOM 623 CD LYS A 23 42.841 7.890 8.530 1.00 0.00 C ATOM 624 CE LYS A 23 43.700 7.166 7.505 1.00 0.00 C ATOM 625 NZ LYS A 23 44.711 8.069 6.888 1.00 0.00 N ATOM 0 H LYS A 23 40.384 4.353 8.674 1.00 0.00 H new ATOM 0 HA LYS A 23 43.312 4.710 8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 23 41.350 5.640 10.641 1.00 0.00 H new ATOM 0 HB3 LYS A 23 43.021 6.134 10.453 1.00 0.00 H new ATOM 0 HG2 LYS A 23 41.122 6.649 8.174 1.00 0.00 H new ATOM 0 HG3 LYS A 23 40.993 7.654 9.603 1.00 0.00 H new ATOM 0 HD2 LYS A 23 42.448 8.806 8.088 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.461 8.185 9.376 1.00 0.00 H new ATOM 0 HE2 LYS A 23 44.206 6.328 7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 23 43.062 6.750 6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 44.466 8.234 5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 44.722 8.976 7.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 45.651 7.628 6.946 1.00 0.00 H new ATOM 639 N LEU A 24 41.851 2.357 9.990 1.00 0.00 N ATOM 640 CA LEU A 24 42.017 1.170 10.830 1.00 0.00 C ATOM 641 C LEU A 24 43.258 0.390 10.437 1.00 0.00 C ATOM 642 O LEU A 24 43.487 0.124 9.259 1.00 0.00 O ATOM 643 CB LEU A 24 40.787 0.261 10.748 1.00 0.00 C ATOM 644 CG LEU A 24 39.627 0.618 11.677 1.00 0.00 C ATOM 645 CD1 LEU A 24 38.437 -0.283 11.407 1.00 0.00 C ATOM 646 CD2 LEU A 24 40.062 0.498 13.132 1.00 0.00 C ATOM 0 H LEU A 24 41.056 2.315 9.353 1.00 0.00 H new ATOM 0 HA LEU A 24 42.131 1.514 11.858 1.00 0.00 H new ATOM 0 HB2 LEU A 24 40.421 0.271 9.721 1.00 0.00 H new ATOM 0 HB3 LEU A 24 41.099 -0.760 10.965 1.00 0.00 H new ATOM 0 HG LEU A 24 39.331 1.649 11.484 1.00 0.00 H new ATOM 0 HD11 LEU A 24 37.619 -0.016 12.077 1.00 0.00 H new ATOM 0 HD12 LEU A 24 38.114 -0.160 10.373 1.00 0.00 H new ATOM 0 HD13 LEU A 24 38.721 -1.322 11.577 1.00 0.00 H new ATOM 0 HD21 LEU A 24 39.227 0.755 13.784 1.00 0.00 H new ATOM 0 HD22 LEU A 24 40.378 -0.525 13.334 1.00 0.00 H new ATOM 0 HD23 LEU A 24 40.892 1.178 13.321 1.00 0.00 H new ATOM 658 N GLY A 25 44.063 0.042 11.428 1.00 0.00 N ATOM 659 CA GLY A 25 45.277 -0.710 11.171 1.00 0.00 C ATOM 660 C GLY A 25 46.416 0.178 10.739 1.00 0.00 C ATOM 661 O GLY A 25 47.547 -0.281 10.583 1.00 0.00 O ATOM 0 H GLY A 25 43.899 0.267 12.409 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.563 -1.253 12.072 1.00 0.00 H new ATOM 0 HA3 GLY A 25 45.085 -1.454 10.398 1.00 0.00 H new ATOM 665 N GLN A 26 46.122 1.450 10.565 1.00 0.00 N ATOM 666 CA GLN A 26 47.106 2.410 10.126 1.00 0.00 C ATOM 667 C GLN A 26 47.698 3.127 11.326 1.00 0.00 C ATOM 668 O GLN A 26 47.002 3.360 12.322 1.00 0.00 O ATOM 669 CB GLN A 26 46.451 3.417 9.188 1.00 0.00 C ATOM 670 CG GLN A 26 47.408 4.074 8.219 1.00 0.00 C ATOM 671 CD GLN A 26 46.718 5.092 7.344 1.00 0.00 C ATOM 672 OE1 GLN A 26 46.698 6.275 7.651 1.00 0.00 O ATOM 673 NE2 GLN A 26 46.107 4.632 6.275 1.00 0.00 N ATOM 0 H GLN A 26 45.195 1.844 10.724 1.00 0.00 H new ATOM 0 HA GLN A 26 47.905 1.892 9.595 1.00 0.00 H new ATOM 0 HB2 GLN A 26 45.667 2.913 8.622 1.00 0.00 H new ATOM 0 HB3 GLN A 26 45.967 4.191 9.784 1.00 0.00 H new ATOM 0 HG2 GLN A 26 48.211 4.559 8.775 1.00 0.00 H new ATOM 0 HG3 GLN A 26 47.870 3.311 7.592 1.00 0.00 H new ATOM 0 HE21 GLN A 26 46.147 3.637 6.053 1.00 0.00 H new ATOM 0 HE22 GLN A 26 45.593 5.270 5.668 1.00 0.00 H new ATOM 682 N VAL A 27 48.970 3.465 11.245 1.00 0.00 N ATOM 683 CA VAL A 27 49.629 4.159 12.326 1.00 0.00 C ATOM 684 C VAL A 27 49.866 5.630 11.954 1.00 0.00 C ATOM 685 O VAL A 27 50.122 5.957 10.791 1.00 0.00 O ATOM 686 CB VAL A 27 50.976 3.477 12.712 1.00 0.00 C ATOM 687 CG1 VAL A 27 52.003 3.602 11.599 1.00 0.00 C ATOM 688 CG2 VAL A 27 51.526 4.039 14.018 1.00 0.00 C ATOM 0 H VAL A 27 49.565 3.269 10.440 1.00 0.00 H new ATOM 0 HA VAL A 27 48.972 4.113 13.195 1.00 0.00 H new ATOM 0 HB VAL A 27 50.770 2.417 12.859 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.930 3.115 11.903 1.00 0.00 H new ATOM 0 HG12 VAL A 27 51.621 3.125 10.696 1.00 0.00 H new ATOM 0 HG13 VAL A 27 52.196 4.656 11.398 1.00 0.00 H new ATOM 0 HG21 VAL A 27 52.466 3.543 14.260 1.00 0.00 H new ATOM 0 HG22 VAL A 27 51.698 5.110 13.909 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.808 3.866 14.819 1.00 0.00 H new ATOM 698 N GLY A 28 49.741 6.502 12.932 1.00 0.00 N ATOM 699 CA GLY A 28 49.964 7.909 12.721 1.00 0.00 C ATOM 700 C GLY A 28 50.705 8.522 13.885 1.00 0.00 C ATOM 701 O GLY A 28 51.234 7.804 14.729 1.00 0.00 O ATOM 0 H GLY A 28 49.484 6.254 13.887 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.535 8.056 11.804 1.00 0.00 H new ATOM 0 HA3 GLY A 28 49.008 8.416 12.587 1.00 0.00 H new ATOM 705 N GLN A 29 50.741 9.833 13.943 1.00 0.00 N ATOM 706 CA GLN A 29 51.441 10.522 15.008 1.00 0.00 C ATOM 707 C GLN A 29 50.523 11.522 15.708 1.00 0.00 C ATOM 708 O GLN A 29 49.733 12.209 15.060 1.00 0.00 O ATOM 709 CB GLN A 29 52.668 11.238 14.442 1.00 0.00 C ATOM 710 CG GLN A 29 53.560 11.873 15.492 1.00 0.00 C ATOM 711 CD GLN A 29 54.745 12.588 14.885 1.00 0.00 C ATOM 712 OE1 GLN A 29 54.669 13.111 13.777 1.00 0.00 O ATOM 713 NE2 GLN A 29 55.853 12.596 15.594 1.00 0.00 N ATOM 0 H GLN A 29 50.293 10.448 13.264 1.00 0.00 H new ATOM 0 HA GLN A 29 51.762 9.785 15.744 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.257 10.524 13.865 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.336 12.011 13.749 1.00 0.00 H new ATOM 0 HG2 GLN A 29 52.976 12.579 16.082 1.00 0.00 H new ATOM 0 HG3 GLN A 29 53.915 11.103 16.177 1.00 0.00 H new ATOM 0 HE21 GLN A 29 55.875 12.150 16.511 1.00 0.00 H new ATOM 0 HE22 GLN A 29 56.690 13.048 15.227 1.00 0.00 H new ATOM 722 N ILE A 30 50.624 11.584 17.028 1.00 0.00 N ATOM 723 CA ILE A 30 49.834 12.519 17.816 1.00 0.00 C ATOM 724 C ILE A 30 50.377 13.927 17.645 1.00 0.00 C ATOM 725 O ILE A 30 51.479 14.233 18.112 1.00 0.00 O ATOM 726 CB ILE A 30 49.859 12.168 19.324 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.378 10.736 19.556 1.00 0.00 C ATOM 728 CG2 ILE A 30 49.004 13.158 20.117 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.405 10.314 21.013 1.00 0.00 C ATOM 0 H ILE A 30 51.249 10.995 17.578 1.00 0.00 H new ATOM 0 HA ILE A 30 48.807 12.454 17.457 1.00 0.00 H new ATOM 0 HB ILE A 30 50.888 12.241 19.675 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.361 10.638 19.177 1.00 0.00 H new ATOM 0 HG13 ILE A 30 50.001 10.054 18.977 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.032 12.897 21.175 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.395 14.166 19.981 1.00 0.00 H new ATOM 0 HG23 ILE A 30 47.975 13.117 19.761 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.050 9.287 21.101 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.425 10.380 21.392 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.759 10.972 21.594 1.00 0.00 H new ATOM 741 N THR A 31 49.627 14.770 16.976 1.00 0.00 N ATOM 742 CA THR A 31 50.044 16.135 16.764 1.00 0.00 C ATOM 743 C THR A 31 49.452 17.071 17.812 1.00 0.00 C ATOM 744 O THR A 31 49.937 18.189 18.011 1.00 0.00 O ATOM 745 CB THR A 31 49.673 16.611 15.361 1.00 0.00 C ATOM 746 OG1 THR A 31 48.346 16.170 15.029 1.00 0.00 O ATOM 747 CG2 THR A 31 50.666 16.079 14.337 1.00 0.00 C ATOM 0 H THR A 31 48.722 14.534 16.568 1.00 0.00 H new ATOM 0 HA THR A 31 51.129 16.159 16.863 1.00 0.00 H new ATOM 0 HB THR A 31 49.705 17.700 15.344 1.00 0.00 H new ATOM 0 HG1 THR A 31 48.336 15.822 14.113 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.386 16.428 13.343 1.00 0.00 H new ATOM 0 HG22 THR A 31 51.666 16.438 14.579 1.00 0.00 H new ATOM 0 HG23 THR A 31 50.658 14.989 14.354 1.00 0.00 H new ATOM 755 N GLY A 32 48.417 16.605 18.496 1.00 0.00 N ATOM 756 CA GLY A 32 47.796 17.406 19.520 1.00 0.00 C ATOM 757 C GLY A 32 46.618 16.709 20.155 1.00 0.00 C ATOM 758 O GLY A 32 46.195 15.643 19.699 1.00 0.00 O ATOM 0 H GLY A 32 47.999 15.685 18.357 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.532 17.644 20.288 1.00 0.00 H new ATOM 0 HA3 GLY A 32 47.467 18.352 19.089 1.00 0.00 H new ATOM 762 N PHE A 33 46.090 17.302 21.207 1.00 0.00 N ATOM 763 CA PHE A 33 44.944 16.752 21.902 1.00 0.00 C ATOM 764 C PHE A 33 43.712 17.592 21.636 1.00 0.00 C ATOM 765 O PHE A 33 43.796 18.817 21.503 1.00 0.00 O ATOM 766 CB PHE A 33 45.208 16.654 23.403 1.00 0.00 C ATOM 767 CG PHE A 33 46.118 15.521 23.781 1.00 0.00 C ATOM 768 CD1 PHE A 33 47.494 15.687 23.804 1.00 0.00 C ATOM 769 CD2 PHE A 33 45.592 14.284 24.116 1.00 0.00 C ATOM 770 CE1 PHE A 33 48.325 14.640 24.156 1.00 0.00 C ATOM 771 CE2 PHE A 33 46.415 13.237 24.467 1.00 0.00 C ATOM 772 CZ PHE A 33 47.783 13.414 24.488 1.00 0.00 C ATOM 0 H PHE A 33 46.441 18.174 21.602 1.00 0.00 H new ATOM 0 HA PHE A 33 44.770 15.745 21.523 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.645 17.591 23.748 1.00 0.00 H new ATOM 0 HB3 PHE A 33 44.258 16.535 23.923 1.00 0.00 H new ATOM 0 HD1 PHE A 33 47.921 16.644 23.544 1.00 0.00 H new ATOM 0 HD2 PHE A 33 44.522 14.139 24.102 1.00 0.00 H new ATOM 0 HE1 PHE A 33 49.396 14.780 24.171 1.00 0.00 H new ATOM 0 HE2 PHE A 33 45.990 12.278 24.726 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.430 12.594 24.764 1.00 0.00 H new ATOM 782 N LYS A 34 42.578 16.938 21.559 1.00 0.00 N ATOM 783 CA LYS A 34 41.334 17.602 21.261 1.00 0.00 C ATOM 784 C LYS A 34 40.308 17.332 22.348 1.00 0.00 C ATOM 785 O LYS A 34 40.272 16.244 22.917 1.00 0.00 O ATOM 786 CB LYS A 34 40.790 17.087 19.928 1.00 0.00 C ATOM 787 CG LYS A 34 39.589 17.849 19.414 1.00 0.00 C ATOM 788 CD LYS A 34 38.898 17.106 18.286 1.00 0.00 C ATOM 789 CE LYS A 34 37.571 17.757 17.925 1.00 0.00 C ATOM 790 NZ LYS A 34 36.594 17.698 19.048 1.00 0.00 N ATOM 0 H LYS A 34 42.493 15.932 21.701 1.00 0.00 H new ATOM 0 HA LYS A 34 41.519 18.675 21.205 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.583 17.134 19.182 1.00 0.00 H new ATOM 0 HB3 LYS A 34 40.520 16.037 20.040 1.00 0.00 H new ATOM 0 HG2 LYS A 34 38.884 18.011 20.229 1.00 0.00 H new ATOM 0 HG3 LYS A 34 39.904 18.832 19.064 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.546 17.087 17.410 1.00 0.00 H new ATOM 0 HD3 LYS A 34 38.729 16.070 18.580 1.00 0.00 H new ATOM 0 HE2 LYS A 34 37.742 18.797 17.648 1.00 0.00 H new ATOM 0 HE3 LYS A 34 37.149 17.259 17.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 35.639 17.897 18.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 36.612 16.750 19.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 36.848 18.406 19.767 1.00 0.00 H new ATOM 804 N MET A 35 39.484 18.310 22.641 1.00 0.00 N ATOM 805 CA MET A 35 38.398 18.105 23.576 1.00 0.00 C ATOM 806 C MET A 35 37.171 17.632 22.803 1.00 0.00 C ATOM 807 O MET A 35 36.817 18.213 21.770 1.00 0.00 O ATOM 808 CB MET A 35 38.098 19.382 24.388 1.00 0.00 C ATOM 809 CG MET A 35 37.703 20.594 23.557 1.00 0.00 C ATOM 810 SD MET A 35 37.405 22.057 24.575 1.00 0.00 S ATOM 811 CE MET A 35 36.947 23.254 23.320 1.00 0.00 C ATOM 0 H MET A 35 39.542 19.250 22.250 1.00 0.00 H new ATOM 0 HA MET A 35 38.686 17.343 24.300 1.00 0.00 H new ATOM 0 HB2 MET A 35 37.295 19.166 25.093 1.00 0.00 H new ATOM 0 HB3 MET A 35 38.979 19.636 24.977 1.00 0.00 H new ATOM 0 HG2 MET A 35 38.492 20.810 22.836 1.00 0.00 H new ATOM 0 HG3 MET A 35 36.804 20.363 22.986 1.00 0.00 H new ATOM 0 HE1 MET A 35 36.732 24.212 23.793 1.00 0.00 H new ATOM 0 HE2 MET A 35 37.769 23.374 22.614 1.00 0.00 H new ATOM 0 HE3 MET A 35 36.061 22.904 22.789 1.00 0.00 H new ATOM 821 N THR A 36 36.558 16.559 23.266 1.00 0.00 N ATOM 822 CA THR A 36 35.418 15.985 22.575 1.00 0.00 C ATOM 823 C THR A 36 34.338 15.550 23.562 1.00 0.00 C ATOM 824 O THR A 36 34.514 14.582 24.315 1.00 0.00 O ATOM 825 CB THR A 36 35.852 14.780 21.708 1.00 0.00 C ATOM 826 OG1 THR A 36 36.874 15.194 20.780 1.00 0.00 O ATOM 827 CG2 THR A 36 34.672 14.202 20.935 1.00 0.00 C ATOM 0 H THR A 36 36.830 16.067 24.117 1.00 0.00 H new ATOM 0 HA THR A 36 35.004 16.757 21.926 1.00 0.00 H new ATOM 0 HB THR A 36 36.240 14.007 22.372 1.00 0.00 H new ATOM 0 HG1 THR A 36 37.149 14.429 20.233 1.00 0.00 H new ATOM 0 HG21 THR A 36 35.009 13.357 20.335 1.00 0.00 H new ATOM 0 HG22 THR A 36 33.907 13.868 21.636 1.00 0.00 H new ATOM 0 HG23 THR A 36 34.255 14.968 20.281 1.00 0.00 H new ATOM 835 N ASP A 37 33.225 16.271 23.553 1.00 0.00 N ATOM 836 CA ASP A 37 32.114 15.981 24.448 1.00 0.00 C ATOM 837 C ASP A 37 31.445 14.675 24.081 1.00 0.00 C ATOM 838 O ASP A 37 31.200 14.394 22.899 1.00 0.00 O ATOM 839 CB ASP A 37 31.091 17.117 24.441 1.00 0.00 C ATOM 840 CG ASP A 37 31.665 18.403 24.978 1.00 0.00 C ATOM 841 OD1 ASP A 37 31.903 18.486 26.202 1.00 0.00 O ATOM 842 OD2 ASP A 37 31.893 19.336 24.183 1.00 0.00 O ATOM 0 H ASP A 37 33.068 17.065 22.932 1.00 0.00 H new ATOM 0 HA ASP A 37 32.521 15.889 25.455 1.00 0.00 H new ATOM 0 HB2 ASP A 37 30.735 17.277 23.423 1.00 0.00 H new ATOM 0 HB3 ASP A 37 30.227 16.829 25.039 1.00 0.00 H new ATOM 847 N GLY A 38 31.150 13.882 25.088 1.00 0.00 N ATOM 848 CA GLY A 38 30.547 12.591 24.872 1.00 0.00 C ATOM 849 C GLY A 38 31.478 11.481 25.285 1.00 0.00 C ATOM 850 O GLY A 38 31.095 10.313 25.317 1.00 0.00 O ATOM 0 H GLY A 38 31.320 14.113 26.067 1.00 0.00 H new ATOM 0 HA2 GLY A 38 29.618 12.521 25.439 1.00 0.00 H new ATOM 0 HA3 GLY A 38 30.287 12.479 23.819 1.00 0.00 H new ATOM 854 N SER A 39 32.711 11.851 25.597 1.00 0.00 N ATOM 855 CA SER A 39 33.724 10.897 26.022 1.00 0.00 C ATOM 856 C SER A 39 34.790 11.588 26.875 1.00 0.00 C ATOM 857 O SER A 39 35.151 11.101 27.951 1.00 0.00 O ATOM 858 CB SER A 39 34.362 10.209 24.806 1.00 0.00 C ATOM 859 OG SER A 39 33.384 9.494 24.057 1.00 0.00 O ATOM 0 H SER A 39 33.037 12.817 25.563 1.00 0.00 H new ATOM 0 HA SER A 39 33.242 10.133 26.632 1.00 0.00 H new ATOM 0 HB2 SER A 39 34.840 10.954 24.170 1.00 0.00 H new ATOM 0 HB3 SER A 39 35.143 9.525 25.138 1.00 0.00 H new ATOM 0 HG SER A 39 32.764 9.048 24.671 1.00 0.00 H new ATOM 865 N GLY A 40 35.282 12.728 26.404 1.00 0.00 N ATOM 866 CA GLY A 40 36.279 13.457 27.151 1.00 0.00 C ATOM 867 C GLY A 40 37.380 14.011 26.276 1.00 0.00 C ATOM 868 O GLY A 40 37.247 15.095 25.700 1.00 0.00 O ATOM 0 H GLY A 40 35.007 13.156 25.520 1.00 0.00 H new ATOM 0 HA2 GLY A 40 35.798 14.277 27.685 1.00 0.00 H new ATOM 0 HA3 GLY A 40 36.715 12.800 27.903 1.00 0.00 H new ATOM 872 N VAL A 41 38.461 13.266 26.159 1.00 0.00 N ATOM 873 CA VAL A 41 39.608 13.712 25.391 1.00 0.00 C ATOM 874 C VAL A 41 39.758 12.905 24.108 1.00 0.00 C ATOM 875 O VAL A 41 39.646 11.678 24.111 1.00 0.00 O ATOM 876 CB VAL A 41 40.919 13.610 26.215 1.00 0.00 C ATOM 877 CG1 VAL A 41 42.099 14.174 25.431 1.00 0.00 C ATOM 878 CG2 VAL A 41 40.776 14.326 27.551 1.00 0.00 C ATOM 0 H VAL A 41 38.570 12.347 26.587 1.00 0.00 H new ATOM 0 HA VAL A 41 39.431 14.758 25.139 1.00 0.00 H new ATOM 0 HB VAL A 41 41.111 12.555 26.410 1.00 0.00 H new ATOM 0 HG11 VAL A 41 43.006 14.091 26.029 1.00 0.00 H new ATOM 0 HG12 VAL A 41 42.223 13.612 24.505 1.00 0.00 H new ATOM 0 HG13 VAL A 41 41.913 15.222 25.197 1.00 0.00 H new ATOM 0 HG21 VAL A 41 41.707 14.241 28.111 1.00 0.00 H new ATOM 0 HG22 VAL A 41 40.552 15.378 27.378 1.00 0.00 H new ATOM 0 HG23 VAL A 41 39.966 13.872 28.122 1.00 0.00 H new ATOM 888 N GLY A 42 39.998 13.606 23.019 1.00 0.00 N ATOM 889 CA GLY A 42 40.216 12.975 21.745 1.00 0.00 C ATOM 890 C GLY A 42 41.632 13.193 21.281 1.00 0.00 C ATOM 891 O GLY A 42 42.210 14.253 21.525 1.00 0.00 O ATOM 0 H GLY A 42 40.046 14.625 22.998 1.00 0.00 H new ATOM 0 HA2 GLY A 42 40.013 11.907 21.823 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.520 13.379 21.009 1.00 0.00 H new ATOM 895 N VAL A 43 42.199 12.214 20.630 1.00 0.00 N ATOM 896 CA VAL A 43 43.568 12.310 20.174 1.00 0.00 C ATOM 897 C VAL A 43 43.616 12.623 18.685 1.00 0.00 C ATOM 898 O VAL A 43 43.152 11.831 17.866 1.00 0.00 O ATOM 899 CB VAL A 43 44.341 10.997 20.447 1.00 0.00 C ATOM 900 CG1 VAL A 43 45.790 11.122 20.009 1.00 0.00 C ATOM 901 CG2 VAL A 43 44.257 10.621 21.921 1.00 0.00 C ATOM 0 H VAL A 43 41.736 11.335 20.400 1.00 0.00 H new ATOM 0 HA VAL A 43 44.042 13.119 20.729 1.00 0.00 H new ATOM 0 HB VAL A 43 43.877 10.202 19.863 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.313 10.187 20.211 1.00 0.00 H new ATOM 0 HG12 VAL A 43 45.830 11.337 18.941 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.268 11.932 20.560 1.00 0.00 H new ATOM 0 HG21 VAL A 43 44.807 9.695 22.092 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.691 11.418 22.525 1.00 0.00 H new ATOM 0 HG23 VAL A 43 43.213 10.480 22.202 1.00 0.00 H new ATOM 911 N ILE A 44 44.158 13.785 18.339 1.00 0.00 N ATOM 912 CA ILE A 44 44.292 14.165 16.944 1.00 0.00 C ATOM 913 C ILE A 44 45.506 13.475 16.343 1.00 0.00 C ATOM 914 O ILE A 44 46.656 13.811 16.655 1.00 0.00 O ATOM 915 CB ILE A 44 44.402 15.704 16.763 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.113 16.381 17.229 1.00 0.00 C ATOM 917 CG2 ILE A 44 44.695 16.056 15.304 1.00 0.00 C ATOM 918 CD1 ILE A 44 43.135 17.891 17.109 1.00 0.00 C ATOM 0 H ILE A 44 44.509 14.475 19.004 1.00 0.00 H new ATOM 0 HA ILE A 44 43.390 13.846 16.423 1.00 0.00 H new ATOM 0 HB ILE A 44 45.229 16.068 17.373 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.278 15.992 16.646 1.00 0.00 H new ATOM 0 HG13 ILE A 44 42.928 16.112 18.269 1.00 0.00 H new ATOM 0 HG21 ILE A 44 44.768 17.138 15.198 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.636 15.597 15.001 1.00 0.00 H new ATOM 0 HG23 ILE A 44 43.890 15.683 14.671 1.00 0.00 H new ATOM 0 HD11 ILE A 44 42.186 18.298 17.459 1.00 0.00 H new ATOM 0 HD12 ILE A 44 43.947 18.292 17.715 1.00 0.00 H new ATOM 0 HD13 ILE A 44 43.288 18.171 16.067 1.00 0.00 H new ATOM 930 N VAL A 45 45.244 12.494 15.506 1.00 0.00 N ATOM 931 CA VAL A 45 46.291 11.700 14.910 1.00 0.00 C ATOM 932 C VAL A 45 46.533 12.094 13.461 1.00 0.00 C ATOM 933 O VAL A 45 45.621 12.048 12.634 1.00 0.00 O ATOM 934 CB VAL A 45 45.932 10.196 14.957 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.088 9.346 14.455 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.520 9.780 16.361 1.00 0.00 C ATOM 0 H VAL A 45 44.302 12.227 15.222 1.00 0.00 H new ATOM 0 HA VAL A 45 47.197 11.885 15.488 1.00 0.00 H new ATOM 0 HB VAL A 45 45.082 10.032 14.295 1.00 0.00 H new ATOM 0 HG11 VAL A 45 46.811 8.293 14.498 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.320 9.618 13.425 1.00 0.00 H new ATOM 0 HG13 VAL A 45 47.964 9.516 15.081 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.272 8.719 16.368 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.343 9.965 17.052 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.649 10.358 16.671 1.00 0.00 H new ATOM 946 N THR A 46 47.750 12.491 13.165 1.00 0.00 N ATOM 947 CA THR A 46 48.140 12.789 11.810 1.00 0.00 C ATOM 948 C THR A 46 48.861 11.580 11.228 1.00 0.00 C ATOM 949 O THR A 46 49.899 11.163 11.738 1.00 0.00 O ATOM 950 CB THR A 46 49.053 14.027 11.740 1.00 0.00 C ATOM 951 OG1 THR A 46 48.384 15.158 12.330 1.00 0.00 O ATOM 952 CG2 THR A 46 49.410 14.348 10.294 1.00 0.00 C ATOM 0 H THR A 46 48.492 12.615 13.854 1.00 0.00 H new ATOM 0 HA THR A 46 47.243 13.011 11.232 1.00 0.00 H new ATOM 0 HB THR A 46 49.969 13.813 12.290 1.00 0.00 H new ATOM 0 HG1 THR A 46 48.691 15.982 11.898 1.00 0.00 H new ATOM 0 HG21 THR A 46 50.056 15.226 10.265 1.00 0.00 H new ATOM 0 HG22 THR A 46 49.931 13.499 9.851 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.499 14.549 9.730 1.00 0.00 H new ATOM 960 N PHE A 47 48.298 11.011 10.188 1.00 0.00 N ATOM 961 CA PHE A 47 48.847 9.808 9.589 1.00 0.00 C ATOM 962 C PHE A 47 49.864 10.130 8.506 1.00 0.00 C ATOM 963 O PHE A 47 50.071 11.293 8.160 1.00 0.00 O ATOM 964 CB PHE A 47 47.726 8.951 9.010 1.00 0.00 C ATOM 965 CG PHE A 47 46.742 8.467 10.035 1.00 0.00 C ATOM 966 CD1 PHE A 47 45.658 9.248 10.395 1.00 0.00 C ATOM 967 CD2 PHE A 47 46.898 7.228 10.634 1.00 0.00 C ATOM 968 CE1 PHE A 47 44.750 8.804 11.331 1.00 0.00 C ATOM 969 CE2 PHE A 47 45.994 6.779 11.571 1.00 0.00 C ATOM 970 CZ PHE A 47 44.919 7.567 11.920 1.00 0.00 C ATOM 0 H PHE A 47 47.455 11.361 9.734 1.00 0.00 H new ATOM 0 HA PHE A 47 49.361 9.254 10.375 1.00 0.00 H new ATOM 0 HB2 PHE A 47 47.194 9.528 8.253 1.00 0.00 H new ATOM 0 HB3 PHE A 47 48.164 8.090 8.505 1.00 0.00 H new ATOM 0 HD1 PHE A 47 45.522 10.217 9.937 1.00 0.00 H new ATOM 0 HD2 PHE A 47 47.739 6.606 10.363 1.00 0.00 H new ATOM 0 HE1 PHE A 47 43.908 9.422 11.603 1.00 0.00 H new ATOM 0 HE2 PHE A 47 46.127 5.811 12.031 1.00 0.00 H new ATOM 0 HZ PHE A 47 44.209 7.217 12.654 1.00 0.00 H new ATOM 980 N ASP A 48 50.473 9.081 7.956 1.00 0.00 N ATOM 981 CA ASP A 48 51.480 9.212 6.896 1.00 0.00 C ATOM 982 C ASP A 48 50.869 9.836 5.637 1.00 0.00 C ATOM 983 O ASP A 48 51.575 10.377 4.783 1.00 0.00 O ATOM 984 CB ASP A 48 52.083 7.845 6.581 1.00 0.00 C ATOM 985 CG ASP A 48 53.241 7.912 5.603 1.00 0.00 C ATOM 986 OD1 ASP A 48 54.381 8.161 6.042 1.00 0.00 O ATOM 987 OD2 ASP A 48 53.022 7.693 4.395 1.00 0.00 O ATOM 0 H ASP A 48 50.285 8.117 8.230 1.00 0.00 H new ATOM 0 HA ASP A 48 52.271 9.874 7.247 1.00 0.00 H new ATOM 0 HB2 ASP A 48 52.425 7.384 7.508 1.00 0.00 H new ATOM 0 HB3 ASP A 48 51.307 7.199 6.171 1.00 0.00 H new ATOM 992 N ASP A 49 49.541 9.773 5.546 1.00 0.00 N ATOM 993 CA ASP A 49 48.799 10.363 4.427 1.00 0.00 C ATOM 994 C ASP A 49 48.751 11.878 4.567 1.00 0.00 C ATOM 995 O ASP A 49 48.212 12.574 3.705 1.00 0.00 O ATOM 996 CB ASP A 49 47.360 9.827 4.378 1.00 0.00 C ATOM 997 CG ASP A 49 47.276 8.344 4.107 1.00 0.00 C ATOM 998 OD1 ASP A 49 47.542 7.927 2.963 1.00 0.00 O ATOM 999 OD2 ASP A 49 46.907 7.588 5.032 1.00 0.00 O ATOM 0 H ASP A 49 48.950 9.315 6.240 1.00 0.00 H new ATOM 0 HA ASP A 49 49.316 10.090 3.507 1.00 0.00 H new ATOM 0 HB2 ASP A 49 46.868 10.043 5.327 1.00 0.00 H new ATOM 0 HB3 ASP A 49 46.808 10.361 3.604 1.00 0.00 H new ATOM 1004 N ARG A 50 49.307 12.371 5.683 1.00 0.00 N ATOM 1005 CA ARG A 50 49.354 13.801 6.026 1.00 0.00 C ATOM 1006 C ARG A 50 47.997 14.297 6.492 1.00 0.00 C ATOM 1007 O ARG A 50 47.825 15.472 6.800 1.00 0.00 O ATOM 1008 CB ARG A 50 49.886 14.660 4.866 1.00 0.00 C ATOM 1009 CG ARG A 50 51.216 14.182 4.308 1.00 0.00 C ATOM 1010 CD ARG A 50 52.273 14.082 5.390 1.00 0.00 C ATOM 1011 NE ARG A 50 53.467 13.390 4.913 1.00 0.00 N ATOM 1012 CZ ARG A 50 54.254 12.639 5.683 1.00 0.00 C ATOM 1013 NH1 ARG A 50 54.008 12.527 6.980 1.00 0.00 N ATOM 1014 NH2 ARG A 50 55.294 12.013 5.154 1.00 0.00 N ATOM 0 H ARG A 50 49.745 11.776 6.386 1.00 0.00 H new ATOM 0 HA ARG A 50 50.058 13.906 6.852 1.00 0.00 H new ATOM 0 HB2 ARG A 50 49.148 14.668 4.064 1.00 0.00 H new ATOM 0 HB3 ARG A 50 49.995 15.689 5.209 1.00 0.00 H new ATOM 0 HG2 ARG A 50 51.084 13.208 3.837 1.00 0.00 H new ATOM 0 HG3 ARG A 50 51.553 14.869 3.532 1.00 0.00 H new ATOM 0 HD2 ARG A 50 52.543 15.082 5.729 1.00 0.00 H new ATOM 0 HD3 ARG A 50 51.864 13.553 6.251 1.00 0.00 H new ATOM 0 HE ARG A 50 53.714 13.488 3.928 1.00 0.00 H new ATOM 0 HH11 ARG A 50 53.214 13.016 7.393 1.00 0.00 H new ATOM 0 HH12 ARG A 50 54.613 11.951 7.566 1.00 0.00 H new ATOM 0 HH21 ARG A 50 55.492 12.106 4.158 1.00 0.00 H new ATOM 0 HH22 ARG A 50 55.897 11.438 5.743 1.00 0.00 H new ATOM 1028 N SER A 51 47.042 13.393 6.558 1.00 0.00 N ATOM 1029 CA SER A 51 45.724 13.718 7.034 1.00 0.00 C ATOM 1030 C SER A 51 45.638 13.509 8.523 1.00 0.00 C ATOM 1031 O SER A 51 46.373 12.690 9.088 1.00 0.00 O ATOM 1032 CB SER A 51 44.688 12.873 6.320 1.00 0.00 C ATOM 1033 OG SER A 51 45.185 11.562 6.059 1.00 0.00 O ATOM 0 H SER A 51 47.162 12.418 6.283 1.00 0.00 H new ATOM 0 HA SER A 51 45.524 14.768 6.821 1.00 0.00 H new ATOM 0 HB2 SER A 51 43.785 12.809 6.928 1.00 0.00 H new ATOM 0 HB3 SER A 51 44.407 13.352 5.382 1.00 0.00 H new ATOM 0 HG SER A 51 44.497 11.037 5.599 1.00 0.00 H new ATOM 1039 N SER A 52 44.757 14.231 9.156 1.00 0.00 N ATOM 1040 CA SER A 52 44.621 14.150 10.573 1.00 0.00 C ATOM 1041 C SER A 52 43.203 13.778 10.959 1.00 0.00 C ATOM 1042 O SER A 52 42.236 14.273 10.386 1.00 0.00 O ATOM 1043 CB SER A 52 45.050 15.467 11.204 1.00 0.00 C ATOM 1044 OG SER A 52 44.353 16.568 10.636 1.00 0.00 O ATOM 0 H SER A 52 44.120 14.886 8.703 1.00 0.00 H new ATOM 0 HA SER A 52 45.271 13.361 10.951 1.00 0.00 H new ATOM 0 HB2 SER A 52 44.867 15.434 12.278 1.00 0.00 H new ATOM 0 HB3 SER A 52 46.123 15.605 11.068 1.00 0.00 H new ATOM 0 HG SER A 52 44.650 17.399 11.063 1.00 0.00 H new ATOM 1050 N THR A 53 43.084 12.879 11.896 1.00 0.00 N ATOM 1051 CA THR A 53 41.800 12.433 12.361 1.00 0.00 C ATOM 1052 C THR A 53 41.868 12.172 13.857 1.00 0.00 C ATOM 1053 O THR A 53 42.835 11.592 14.347 1.00 0.00 O ATOM 1054 CB THR A 53 41.368 11.147 11.621 1.00 0.00 C ATOM 1055 OG1 THR A 53 41.472 11.346 10.202 1.00 0.00 O ATOM 1056 CG2 THR A 53 39.934 10.777 11.967 1.00 0.00 C ATOM 0 H THR A 53 43.876 12.434 12.360 1.00 0.00 H new ATOM 0 HA THR A 53 41.062 13.209 12.158 1.00 0.00 H new ATOM 0 HB THR A 53 42.026 10.337 11.934 1.00 0.00 H new ATOM 0 HG1 THR A 53 41.199 10.528 9.736 1.00 0.00 H new ATOM 0 HG21 THR A 53 39.654 9.869 11.434 1.00 0.00 H new ATOM 0 HG22 THR A 53 39.851 10.608 13.041 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.268 11.589 11.675 1.00 0.00 H new ATOM 1064 N TRP A 54 40.868 12.631 14.583 1.00 0.00 N ATOM 1065 CA TRP A 54 40.843 12.438 16.013 1.00 0.00 C ATOM 1066 C TRP A 54 40.142 11.140 16.371 1.00 0.00 C ATOM 1067 O TRP A 54 39.096 10.812 15.816 1.00 0.00 O ATOM 1068 CB TRP A 54 40.191 13.637 16.729 1.00 0.00 C ATOM 1069 CG TRP A 54 38.806 13.968 16.251 1.00 0.00 C ATOM 1070 CD1 TRP A 54 38.472 14.794 15.216 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.569 13.490 16.798 1.00 0.00 C ATOM 1072 NE1 TRP A 54 37.110 14.852 15.083 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.532 14.061 16.040 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.240 12.630 17.850 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 35.188 13.804 16.301 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 35.908 12.374 18.108 1.00 0.00 C ATOM 1077 CH2 TRP A 54 34.896 12.959 17.335 1.00 0.00 C ATOM 0 H TRP A 54 40.067 13.137 14.205 1.00 0.00 H new ATOM 0 HA TRP A 54 41.875 12.371 16.358 1.00 0.00 H new ATOM 0 HB2 TRP A 54 40.153 13.429 17.798 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.827 14.513 16.597 1.00 0.00 H new ATOM 0 HD1 TRP A 54 39.178 15.324 14.594 1.00 0.00 H new ATOM 0 HE1 TRP A 54 36.607 15.397 14.383 1.00 0.00 H new ATOM 0 HE3 TRP A 54 38.014 12.174 18.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 34.406 14.255 15.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 35.642 11.712 18.919 1.00 0.00 H new ATOM 0 HH2 TRP A 54 33.863 12.737 17.561 1.00 0.00 H new ATOM 1088 N PHE A 55 40.743 10.398 17.270 1.00 0.00 N ATOM 1089 CA PHE A 55 40.186 9.144 17.740 1.00 0.00 C ATOM 1090 C PHE A 55 40.123 9.151 19.247 1.00 0.00 C ATOM 1091 O PHE A 55 40.718 10.023 19.896 1.00 0.00 O ATOM 1092 CB PHE A 55 41.029 7.959 17.264 1.00 0.00 C ATOM 1093 CG PHE A 55 41.009 7.751 15.780 1.00 0.00 C ATOM 1094 CD1 PHE A 55 40.035 6.962 15.195 1.00 0.00 C ATOM 1095 CD2 PHE A 55 41.961 8.342 14.972 1.00 0.00 C ATOM 1096 CE1 PHE A 55 40.011 6.770 13.830 1.00 0.00 C ATOM 1097 CE2 PHE A 55 41.943 8.152 13.608 1.00 0.00 C ATOM 1098 CZ PHE A 55 40.966 7.365 13.036 1.00 0.00 C ATOM 0 H PHE A 55 41.635 10.644 17.700 1.00 0.00 H new ATOM 0 HA PHE A 55 39.181 9.037 17.331 1.00 0.00 H new ATOM 0 HB2 PHE A 55 42.060 8.108 17.585 1.00 0.00 H new ATOM 0 HB3 PHE A 55 40.671 7.053 17.752 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.285 6.491 15.814 1.00 0.00 H new ATOM 0 HD2 PHE A 55 42.728 8.960 15.415 1.00 0.00 H new ATOM 0 HE1 PHE A 55 39.244 6.154 13.384 1.00 0.00 H new ATOM 0 HE2 PHE A 55 42.693 8.619 12.987 1.00 0.00 H new ATOM 0 HZ PHE A 55 40.950 7.215 11.967 1.00 0.00 H new ATOM 1108 N PHE A 56 39.419 8.202 19.807 1.00 0.00 N ATOM 1109 CA PHE A 56 39.297 8.118 21.242 1.00 0.00 C ATOM 1110 C PHE A 56 40.547 7.484 21.856 1.00 0.00 C ATOM 1111 O PHE A 56 41.211 6.657 21.227 1.00 0.00 O ATOM 1112 CB PHE A 56 38.022 7.376 21.626 1.00 0.00 C ATOM 1113 CG PHE A 56 36.798 8.016 21.027 1.00 0.00 C ATOM 1114 CD1 PHE A 56 36.299 9.201 21.547 1.00 0.00 C ATOM 1115 CD2 PHE A 56 36.167 7.452 19.931 1.00 0.00 C ATOM 1116 CE1 PHE A 56 35.191 9.807 20.987 1.00 0.00 C ATOM 1117 CE2 PHE A 56 35.061 8.057 19.365 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.573 9.235 19.892 1.00 0.00 C ATOM 0 H PHE A 56 38.921 7.476 19.293 1.00 0.00 H new ATOM 0 HA PHE A 56 39.219 9.126 21.650 1.00 0.00 H new ATOM 0 HB2 PHE A 56 38.090 6.340 21.293 1.00 0.00 H new ATOM 0 HB3 PHE A 56 37.927 7.356 22.712 1.00 0.00 H new ATOM 0 HD1 PHE A 56 36.782 9.655 22.399 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.543 6.529 19.514 1.00 0.00 H new ATOM 0 HE1 PHE A 56 34.809 10.727 21.405 1.00 0.00 H new ATOM 0 HE2 PHE A 56 34.578 7.608 18.510 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.709 9.709 19.449 1.00 0.00 H new ATOM 1128 N GLU A 57 40.857 7.872 23.082 1.00 0.00 N ATOM 1129 CA GLU A 57 42.093 7.452 23.743 1.00 0.00 C ATOM 1130 C GLU A 57 42.180 5.939 24.000 1.00 0.00 C ATOM 1131 O GLU A 57 43.270 5.405 24.186 1.00 0.00 O ATOM 1132 CB GLU A 57 42.330 8.271 25.024 1.00 0.00 C ATOM 1133 CG GLU A 57 41.149 8.328 25.988 1.00 0.00 C ATOM 1134 CD GLU A 57 41.049 7.111 26.882 1.00 0.00 C ATOM 1135 OE1 GLU A 57 42.036 6.799 27.580 1.00 0.00 O ATOM 1136 OE2 GLU A 57 39.974 6.473 26.913 1.00 0.00 O ATOM 0 H GLU A 57 40.268 8.482 23.648 1.00 0.00 H new ATOM 0 HA GLU A 57 42.902 7.663 23.044 1.00 0.00 H new ATOM 0 HB2 GLU A 57 43.188 7.852 25.550 1.00 0.00 H new ATOM 0 HB3 GLU A 57 42.596 9.289 24.741 1.00 0.00 H new ATOM 0 HG2 GLU A 57 41.237 9.220 26.608 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.226 8.428 25.416 1.00 0.00 H new ATOM 1143 N ASP A 58 41.051 5.256 24.011 1.00 0.00 N ATOM 1144 CA ASP A 58 41.058 3.800 24.202 1.00 0.00 C ATOM 1145 C ASP A 58 40.839 3.096 22.870 1.00 0.00 C ATOM 1146 O ASP A 58 40.873 1.866 22.781 1.00 0.00 O ATOM 1147 CB ASP A 58 39.983 3.365 25.206 1.00 0.00 C ATOM 1148 CG ASP A 58 38.575 3.430 24.641 1.00 0.00 C ATOM 1149 OD1 ASP A 58 38.003 4.539 24.578 1.00 0.00 O ATOM 1150 OD2 ASP A 58 38.031 2.370 24.277 1.00 0.00 O ATOM 0 H ASP A 58 40.126 5.669 23.893 1.00 0.00 H new ATOM 0 HA ASP A 58 42.031 3.519 24.604 1.00 0.00 H new ATOM 0 HB2 ASP A 58 40.190 2.346 25.531 1.00 0.00 H new ATOM 0 HB3 ASP A 58 40.042 4.000 26.090 1.00 0.00 H new ATOM 1155 N GLU A 59 40.640 3.891 21.844 1.00 0.00 N ATOM 1156 CA GLU A 59 40.367 3.408 20.504 1.00 0.00 C ATOM 1157 C GLU A 59 41.681 3.217 19.719 1.00 0.00 C ATOM 1158 O GLU A 59 41.746 2.441 18.755 1.00 0.00 O ATOM 1159 CB GLU A 59 39.420 4.419 19.835 1.00 0.00 C ATOM 1160 CG GLU A 59 39.066 4.164 18.401 1.00 0.00 C ATOM 1161 CD GLU A 59 37.878 4.999 17.969 1.00 0.00 C ATOM 1162 OE1 GLU A 59 38.052 6.225 17.799 1.00 0.00 O ATOM 1163 OE2 GLU A 59 36.758 4.433 17.837 1.00 0.00 O ATOM 0 H GLU A 59 40.663 4.908 21.915 1.00 0.00 H new ATOM 0 HA GLU A 59 39.888 2.429 20.526 1.00 0.00 H new ATOM 0 HB2 GLU A 59 38.496 4.453 20.412 1.00 0.00 H new ATOM 0 HB3 GLU A 59 39.875 5.407 19.902 1.00 0.00 H new ATOM 0 HG2 GLU A 59 39.923 4.392 17.767 1.00 0.00 H new ATOM 0 HG3 GLU A 59 38.839 3.107 18.263 1.00 0.00 H new ATOM 1170 N VAL A 60 42.732 3.898 20.167 1.00 0.00 N ATOM 1171 CA VAL A 60 44.047 3.794 19.534 1.00 0.00 C ATOM 1172 C VAL A 60 45.086 3.210 20.501 1.00 0.00 C ATOM 1173 O VAL A 60 44.862 3.165 21.716 1.00 0.00 O ATOM 1174 CB VAL A 60 44.550 5.167 19.014 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.687 5.653 17.864 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.569 6.197 20.134 1.00 0.00 C ATOM 0 H VAL A 60 42.700 4.529 20.967 1.00 0.00 H new ATOM 0 HA VAL A 60 43.928 3.122 18.684 1.00 0.00 H new ATOM 0 HB VAL A 60 45.570 5.037 18.651 1.00 0.00 H new ATOM 0 HG11 VAL A 60 44.056 6.617 17.514 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.727 4.931 17.048 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.657 5.761 18.203 1.00 0.00 H new ATOM 0 HG21 VAL A 60 44.925 7.151 19.745 1.00 0.00 H new ATOM 0 HG22 VAL A 60 43.562 6.321 20.532 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.234 5.858 20.929 1.00 0.00 H new ATOM 1186 N GLU A 61 46.206 2.752 19.950 1.00 0.00 N ATOM 1187 CA GLU A 61 47.302 2.187 20.741 1.00 0.00 C ATOM 1188 C GLU A 61 48.556 3.032 20.554 1.00 0.00 C ATOM 1189 O GLU A 61 48.720 3.674 19.516 1.00 0.00 O ATOM 1190 CB GLU A 61 47.590 0.748 20.296 1.00 0.00 C ATOM 1191 CG GLU A 61 48.153 0.654 18.880 1.00 0.00 C ATOM 1192 CD GLU A 61 48.235 -0.761 18.360 1.00 0.00 C ATOM 1193 OE1 GLU A 61 49.155 -1.499 18.757 1.00 0.00 O ATOM 1194 OE2 GLU A 61 47.393 -1.133 17.519 1.00 0.00 O ATOM 0 H GLU A 61 46.382 2.760 18.945 1.00 0.00 H new ATOM 0 HA GLU A 61 47.012 2.185 21.792 1.00 0.00 H new ATOM 0 HB2 GLU A 61 48.297 0.295 20.991 1.00 0.00 H new ATOM 0 HB3 GLU A 61 46.670 0.167 20.353 1.00 0.00 H new ATOM 0 HG2 GLU A 61 47.529 1.244 18.209 1.00 0.00 H new ATOM 0 HG3 GLU A 61 49.148 1.098 18.863 1.00 0.00 H new ATOM 1201 N VAL A 62 49.434 3.029 21.541 1.00 0.00 N ATOM 1202 CA VAL A 62 50.670 3.791 21.453 1.00 0.00 C ATOM 1203 C VAL A 62 51.804 2.918 20.939 1.00 0.00 C ATOM 1204 O VAL A 62 52.178 1.925 21.571 1.00 0.00 O ATOM 1205 CB VAL A 62 51.068 4.400 22.811 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.281 5.309 22.660 1.00 0.00 C ATOM 1207 CG2 VAL A 62 49.901 5.158 23.414 1.00 0.00 C ATOM 0 H VAL A 62 49.316 2.510 22.411 1.00 0.00 H new ATOM 0 HA VAL A 62 50.491 4.606 20.752 1.00 0.00 H new ATOM 0 HB VAL A 62 51.336 3.588 23.486 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.545 5.728 23.631 1.00 0.00 H new ATOM 0 HG12 VAL A 62 53.122 4.733 22.273 1.00 0.00 H new ATOM 0 HG13 VAL A 62 52.046 6.117 21.968 1.00 0.00 H new ATOM 0 HG21 VAL A 62 50.199 5.582 24.373 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.601 5.960 22.740 1.00 0.00 H new ATOM 0 HG23 VAL A 62 49.063 4.477 23.563 1.00 0.00 H new ATOM 1217 N VAL A 63 52.349 3.296 19.802 1.00 0.00 N ATOM 1218 CA VAL A 63 53.418 2.555 19.172 1.00 0.00 C ATOM 1219 C VAL A 63 54.724 3.340 19.261 1.00 0.00 C ATOM 1220 O VAL A 63 54.759 4.544 18.993 1.00 0.00 O ATOM 1221 CB VAL A 63 53.098 2.262 17.680 1.00 0.00 C ATOM 1222 CG1 VAL A 63 54.187 1.409 17.042 1.00 0.00 C ATOM 1223 CG2 VAL A 63 51.738 1.589 17.542 1.00 0.00 C ATOM 0 H VAL A 63 52.061 4.129 19.288 1.00 0.00 H new ATOM 0 HA VAL A 63 53.520 1.606 19.699 1.00 0.00 H new ATOM 0 HB VAL A 63 53.065 3.215 17.152 1.00 0.00 H new ATOM 0 HG11 VAL A 63 53.936 1.220 15.998 1.00 0.00 H new ATOM 0 HG12 VAL A 63 55.140 1.935 17.097 1.00 0.00 H new ATOM 0 HG13 VAL A 63 54.265 0.461 17.574 1.00 0.00 H new ATOM 0 HG21 VAL A 63 51.534 1.393 16.489 1.00 0.00 H new ATOM 0 HG22 VAL A 63 51.740 0.648 18.093 1.00 0.00 H new ATOM 0 HG23 VAL A 63 50.965 2.244 17.945 1.00 0.00 H new ATOM 1233 N GLY A 64 55.781 2.663 19.648 1.00 0.00 N ATOM 1234 CA GLY A 64 57.063 3.300 19.752 1.00 0.00 C ATOM 1235 C GLY A 64 57.716 3.016 21.081 1.00 0.00 C ATOM 1236 O GLY A 64 57.580 3.839 22.001 1.00 0.00 O ATOM 1237 OXT GLY A 64 58.344 1.953 21.222 1.00 0.00 O ATOM 0 H GLY A 64 55.773 1.673 19.894 1.00 0.00 H new ATOM 0 HA2 GLY A 64 57.709 2.952 18.946 1.00 0.00 H new ATOM 0 HA3 GLY A 64 56.947 4.376 19.625 1.00 0.00 H new TER 1241 GLY A 64