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 -9 HIS : no HD1:sc= 0 X(o=0,f=-0.0078) USER MOD Set 1.2: A -10 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 31 THR OG1 : rot -132:sc= 0.976 USER MOD Set 2.2: A 46 THR OG1 : rot -91:sc= 2.07 USER MOD Set 2.3: A 52 SER OG : rot 180:sc= 0.966 USER MOD Single : A 1 MET CE :methyl -159:sc= -0.332 (180deg=-1.13) USER MOD Single : A 5 GLN : amide:sc= -0.026 X(o=-0.026,f=-0.11) USER MOD Single : A 6 LYS NZ :NH3+ -172:sc= -0.0863 (180deg=-0.197) USER MOD Single : A -4 LYS NZ :NH3+ -159:sc= 1.26 (180deg=1.02) USER MOD Single : A -7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 22 GLN : amide:sc= -0.123 K(o=-0.12,f=-1.2) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.695 K(o=-0.7,f=-0.15) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 34 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.014) USER MOD Single : A 35 MET CE :methyl 156:sc= -0.197 (180deg=-1.07) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 102:sc= 1.31 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0189 USER MOD Single : A -12 SER OG : rot 180:sc= -0.055 USER MOD Single : A -14 MET CE :methyl 158:sc= -0.228 (180deg=-0.911) USER MOD Single : A -14 MET N :NH3+ 138:sc= 1.26 (180deg=0.367) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -14 34.858 29.770 40.681 1.00 0.00 N ATOM 2 CA MET A -14 35.704 30.639 39.844 1.00 0.00 C ATOM 3 C MET A -14 36.920 29.879 39.358 1.00 0.00 C ATOM 4 O MET A -14 37.760 29.458 40.155 1.00 0.00 O ATOM 5 CB MET A -14 36.156 31.886 40.619 1.00 0.00 C ATOM 6 CG MET A -14 35.026 32.806 41.068 1.00 0.00 C ATOM 7 SD MET A -14 34.020 32.106 42.397 1.00 0.00 S ATOM 8 CE MET A -14 35.252 31.893 43.687 1.00 0.00 C ATOM 0 H1 MET A -14 34.522 30.305 41.507 1.00 0.00 H new ATOM 0 H2 MET A -14 34.042 29.441 40.126 1.00 0.00 H new ATOM 0 H3 MET A -14 35.412 28.950 41.001 1.00 0.00 H new ATOM 0 HA MET A -14 35.108 30.958 38.989 1.00 0.00 H new ATOM 0 HB2 MET A -14 36.716 31.567 41.498 1.00 0.00 H new ATOM 0 HB3 MET A -14 36.843 32.456 39.993 1.00 0.00 H new ATOM 0 HG2 MET A -14 35.449 33.753 41.402 1.00 0.00 H new ATOM 0 HG3 MET A -14 34.385 33.027 40.214 1.00 0.00 H new ATOM 0 HE1 MET A -14 34.759 31.851 44.658 1.00 0.00 H new ATOM 0 HE2 MET A -14 35.800 30.966 43.517 1.00 0.00 H new ATOM 0 HE3 MET A -14 35.946 32.733 43.669 1.00 0.00 H new ATOM 20 N ALA A -13 37.014 29.696 38.056 1.00 0.00 N ATOM 21 CA ALA A -13 38.139 29.000 37.469 1.00 0.00 C ATOM 22 C ALA A -13 38.449 29.557 36.092 1.00 0.00 C ATOM 23 O ALA A -13 37.558 30.034 35.389 1.00 0.00 O ATOM 24 CB ALA A -13 37.860 27.504 37.388 1.00 0.00 C ATOM 0 H ALA A -13 36.321 30.022 37.383 1.00 0.00 H new ATOM 0 HA ALA A -13 39.009 29.154 38.108 1.00 0.00 H new ATOM 0 HB1 ALA A -13 38.717 26.998 36.944 1.00 0.00 H new ATOM 0 HB2 ALA A -13 37.686 27.112 38.390 1.00 0.00 H new ATOM 0 HB3 ALA A -13 36.977 27.331 36.772 1.00 0.00 H new ATOM 30 N SER A -12 39.709 29.510 35.719 1.00 0.00 N ATOM 31 CA SER A -12 40.137 29.982 34.419 1.00 0.00 C ATOM 32 C SER A -12 40.165 28.808 33.435 1.00 0.00 C ATOM 33 O SER A -12 39.933 27.657 33.828 1.00 0.00 O ATOM 34 CB SER A -12 41.525 30.637 34.530 1.00 0.00 C ATOM 35 OG SER A -12 41.902 31.278 33.320 1.00 0.00 O ATOM 0 H SER A -12 40.462 29.146 36.303 1.00 0.00 H new ATOM 0 HA SER A -12 39.436 30.731 34.051 1.00 0.00 H new ATOM 0 HB2 SER A -12 41.520 31.365 35.341 1.00 0.00 H new ATOM 0 HB3 SER A -12 42.265 29.879 34.786 1.00 0.00 H new ATOM 0 HG SER A -12 42.787 31.684 33.427 1.00 0.00 H new ATOM 41 N TRP A -11 40.437 29.091 32.171 1.00 0.00 N ATOM 42 CA TRP A -11 40.492 28.048 31.159 1.00 0.00 C ATOM 43 C TRP A -11 41.737 27.197 31.352 1.00 0.00 C ATOM 44 O TRP A -11 42.797 27.705 31.733 1.00 0.00 O ATOM 45 CB TRP A -11 40.482 28.654 29.749 1.00 0.00 C ATOM 46 CG TRP A -11 40.537 27.629 28.656 1.00 0.00 C ATOM 47 CD1 TRP A -11 39.493 26.930 28.141 1.00 0.00 C ATOM 48 CD2 TRP A -11 41.706 27.187 27.954 1.00 0.00 C ATOM 49 NE1 TRP A -11 39.936 26.075 27.163 1.00 0.00 N ATOM 50 CE2 TRP A -11 41.291 26.215 27.028 1.00 0.00 C ATOM 51 CE3 TRP A -11 43.063 27.520 28.021 1.00 0.00 C ATOM 52 CZ2 TRP A -11 42.182 25.571 26.177 1.00 0.00 C ATOM 53 CZ3 TRP A -11 43.944 26.880 27.175 1.00 0.00 C ATOM 54 CH2 TRP A -11 43.501 25.915 26.263 1.00 0.00 C ATOM 0 H TRP A -11 40.623 30.031 31.822 1.00 0.00 H new ATOM 0 HA TRP A -11 39.609 27.418 31.268 1.00 0.00 H new ATOM 0 HB2 TRP A -11 39.581 29.255 29.627 1.00 0.00 H new ATOM 0 HB3 TRP A -11 41.332 29.329 29.646 1.00 0.00 H new ATOM 0 HD1 TRP A -11 38.465 27.032 28.455 1.00 0.00 H new ATOM 0 HE1 TRP A -11 39.350 25.438 26.624 1.00 0.00 H new ATOM 0 HE3 TRP A -11 43.414 28.264 28.721 1.00 0.00 H new ATOM 0 HZ2 TRP A -11 41.843 24.825 25.473 1.00 0.00 H new ATOM 0 HZ3 TRP A -11 44.994 27.128 27.217 1.00 0.00 H new ATOM 0 HH2 TRP A -11 44.217 25.433 25.614 1.00 0.00 H new ATOM 65 N SER A -10 41.613 25.912 31.107 1.00 0.00 N ATOM 66 CA SER A -10 42.729 25.015 31.243 1.00 0.00 C ATOM 67 C SER A -10 42.765 24.039 30.078 1.00 0.00 C ATOM 68 O SER A -10 41.739 23.780 29.438 1.00 0.00 O ATOM 69 CB SER A -10 42.647 24.263 32.576 1.00 0.00 C ATOM 70 OG SER A -10 43.833 23.529 32.839 1.00 0.00 O ATOM 0 H SER A -10 40.744 25.467 30.811 1.00 0.00 H new ATOM 0 HA SER A -10 43.651 25.597 31.233 1.00 0.00 H new ATOM 0 HB2 SER A -10 42.472 24.973 33.384 1.00 0.00 H new ATOM 0 HB3 SER A -10 41.795 23.583 32.559 1.00 0.00 H new ATOM 0 HG SER A -10 43.746 23.064 33.697 1.00 0.00 H new ATOM 76 N HIS A -9 43.948 23.519 29.801 1.00 0.00 N ATOM 77 CA HIS A -9 44.143 22.540 28.740 1.00 0.00 C ATOM 78 C HIS A -9 43.318 21.284 29.033 1.00 0.00 C ATOM 79 O HIS A -9 42.957 21.040 30.188 1.00 0.00 O ATOM 80 CB HIS A -9 45.640 22.162 28.630 1.00 0.00 C ATOM 81 CG HIS A -9 46.156 21.336 29.784 1.00 0.00 C ATOM 82 ND1 HIS A -9 46.606 20.040 29.640 1.00 0.00 N ATOM 83 CD2 HIS A -9 46.283 21.627 31.102 1.00 0.00 C ATOM 84 CE1 HIS A -9 46.979 19.569 30.813 1.00 0.00 C ATOM 85 NE2 HIS A -9 46.795 20.511 31.717 1.00 0.00 N ATOM 0 H HIS A -9 44.802 23.762 30.304 1.00 0.00 H new ATOM 0 HA HIS A -9 43.816 22.976 27.796 1.00 0.00 H new ATOM 0 HB2 HIS A -9 45.797 21.609 27.704 1.00 0.00 H new ATOM 0 HB3 HIS A -9 46.230 23.076 28.560 1.00 0.00 H new ATOM 0 HD2 HIS A -9 46.029 22.562 31.579 1.00 0.00 H new ATOM 0 HE1 HIS A -9 47.369 18.580 31.002 1.00 0.00 H new ATOM 0 HE2 HIS A -9 47.000 20.425 32.712 1.00 0.00 H new ATOM 93 N PRO A -8 42.991 20.481 27.997 1.00 0.00 N ATOM 94 CA PRO A -8 42.262 19.224 28.177 1.00 0.00 C ATOM 95 C PRO A -8 42.922 18.356 29.242 1.00 0.00 C ATOM 96 O PRO A -8 44.059 17.912 29.074 1.00 0.00 O ATOM 97 CB PRO A -8 42.357 18.556 26.804 1.00 0.00 C ATOM 98 CG PRO A -8 42.512 19.685 25.848 1.00 0.00 C ATOM 99 CD PRO A -8 43.297 20.744 26.577 1.00 0.00 C ATOM 0 HA PRO A -8 41.235 19.377 28.510 1.00 0.00 H new ATOM 0 HB2 PRO A -8 43.206 17.874 26.753 1.00 0.00 H new ATOM 0 HB3 PRO A -8 41.464 17.971 26.585 1.00 0.00 H new ATOM 0 HG2 PRO A -8 43.034 19.364 24.947 1.00 0.00 H new ATOM 0 HG3 PRO A -8 41.540 20.067 25.534 1.00 0.00 H new ATOM 0 HD2 PRO A -8 44.365 20.663 26.375 1.00 0.00 H new ATOM 0 HD3 PRO A -8 42.991 21.747 26.279 1.00 0.00 H new ATOM 107 N GLN A -7 42.228 18.154 30.343 1.00 0.00 N ATOM 108 CA GLN A -7 42.767 17.380 31.441 1.00 0.00 C ATOM 109 C GLN A -7 42.756 15.897 31.112 1.00 0.00 C ATOM 110 O GLN A -7 41.799 15.385 30.526 1.00 0.00 O ATOM 111 CB GLN A -7 41.976 17.643 32.719 1.00 0.00 C ATOM 112 CG GLN A -7 42.579 16.998 33.951 1.00 0.00 C ATOM 113 CD GLN A -7 41.730 17.199 35.179 1.00 0.00 C ATOM 114 OE1 GLN A -7 40.853 16.391 35.479 1.00 0.00 O ATOM 115 NE2 GLN A -7 41.980 18.273 35.899 1.00 0.00 N ATOM 0 H GLN A -7 41.288 18.516 30.501 1.00 0.00 H new ATOM 0 HA GLN A -7 43.800 17.690 31.599 1.00 0.00 H new ATOM 0 HB2 GLN A -7 41.908 18.719 32.879 1.00 0.00 H new ATOM 0 HB3 GLN A -7 40.958 17.275 32.588 1.00 0.00 H new ATOM 0 HG2 GLN A -7 42.708 15.930 33.773 1.00 0.00 H new ATOM 0 HG3 GLN A -7 43.571 17.414 34.127 1.00 0.00 H new ATOM 0 HE21 GLN A -7 42.717 18.918 35.614 1.00 0.00 H new ATOM 0 HE22 GLN A -7 41.436 18.460 36.742 1.00 0.00 H new ATOM 124 N PHE A -6 43.818 15.215 31.486 1.00 0.00 N ATOM 125 CA PHE A -6 43.937 13.798 31.234 1.00 0.00 C ATOM 126 C PHE A -6 43.865 13.040 32.551 1.00 0.00 C ATOM 127 O PHE A -6 44.187 13.593 33.606 1.00 0.00 O ATOM 128 CB PHE A -6 45.265 13.499 30.530 1.00 0.00 C ATOM 129 CG PHE A -6 45.602 14.469 29.424 1.00 0.00 C ATOM 130 CD1 PHE A -6 44.914 14.444 28.224 1.00 0.00 C ATOM 131 CD2 PHE A -6 46.606 15.410 29.595 1.00 0.00 C ATOM 132 CE1 PHE A -6 45.219 15.338 27.216 1.00 0.00 C ATOM 133 CE2 PHE A -6 46.915 16.306 28.591 1.00 0.00 C ATOM 134 CZ PHE A -6 46.221 16.269 27.399 1.00 0.00 C ATOM 0 H PHE A -6 44.617 15.625 31.970 1.00 0.00 H new ATOM 0 HA PHE A -6 43.119 13.478 30.589 1.00 0.00 H new ATOM 0 HB2 PHE A -6 46.067 13.511 31.268 1.00 0.00 H new ATOM 0 HB3 PHE A -6 45.227 12.491 30.117 1.00 0.00 H new ATOM 0 HD1 PHE A -6 44.129 13.717 28.074 1.00 0.00 H new ATOM 0 HD2 PHE A -6 47.153 15.442 30.525 1.00 0.00 H new ATOM 0 HE1 PHE A -6 44.673 15.308 26.285 1.00 0.00 H new ATOM 0 HE2 PHE A -6 47.699 17.035 28.738 1.00 0.00 H new ATOM 0 HZ PHE A -6 46.461 16.967 26.611 1.00 0.00 H new ATOM 144 N GLU A -5 43.436 11.795 32.502 1.00 0.00 N ATOM 145 CA GLU A -5 43.349 10.991 33.707 1.00 0.00 C ATOM 146 C GLU A -5 44.381 9.864 33.711 1.00 0.00 C ATOM 147 O GLU A -5 45.126 9.695 34.677 1.00 0.00 O ATOM 148 CB GLU A -5 41.913 10.454 33.928 1.00 0.00 C ATOM 149 CG GLU A -5 41.073 10.279 32.655 1.00 0.00 C ATOM 150 CD GLU A -5 41.636 9.256 31.697 1.00 0.00 C ATOM 151 OE1 GLU A -5 42.528 9.617 30.899 1.00 0.00 O ATOM 152 OE2 GLU A -5 41.205 8.086 31.744 1.00 0.00 O ATOM 0 H GLU A -5 43.144 11.320 31.648 1.00 0.00 H new ATOM 0 HA GLU A -5 43.585 11.642 34.549 1.00 0.00 H new ATOM 0 HB2 GLU A -5 41.977 9.492 34.436 1.00 0.00 H new ATOM 0 HB3 GLU A -5 41.388 11.134 34.599 1.00 0.00 H new ATOM 0 HG2 GLU A -5 40.061 9.985 32.934 1.00 0.00 H new ATOM 0 HG3 GLU A -5 40.997 11.239 32.145 1.00 0.00 H new ATOM 159 N LYS A -4 44.421 9.107 32.635 1.00 0.00 N ATOM 160 CA LYS A -4 45.348 7.998 32.499 1.00 0.00 C ATOM 161 C LYS A -4 45.982 8.019 31.117 1.00 0.00 C ATOM 162 O LYS A -4 47.114 7.570 30.929 1.00 0.00 O ATOM 163 CB LYS A -4 44.619 6.665 32.709 1.00 0.00 C ATOM 164 CG LYS A -4 43.848 6.577 34.023 1.00 0.00 C ATOM 165 CD LYS A -4 43.217 5.206 34.218 1.00 0.00 C ATOM 166 CE LYS A -4 42.207 4.875 33.124 1.00 0.00 C ATOM 167 NZ LYS A -4 41.038 5.798 33.121 1.00 0.00 N ATOM 0 H LYS A -4 43.812 9.241 31.828 1.00 0.00 H new ATOM 0 HA LYS A -4 46.126 8.100 33.256 1.00 0.00 H new ATOM 0 HB2 LYS A -4 43.926 6.508 31.882 1.00 0.00 H new ATOM 0 HB3 LYS A -4 45.348 5.855 32.673 1.00 0.00 H new ATOM 0 HG2 LYS A -4 44.521 6.789 34.854 1.00 0.00 H new ATOM 0 HG3 LYS A -4 43.070 7.341 34.040 1.00 0.00 H new ATOM 0 HD2 LYS A -4 43.999 4.447 34.230 1.00 0.00 H new ATOM 0 HD3 LYS A -4 42.723 5.170 35.189 1.00 0.00 H new ATOM 0 HE2 LYS A -4 42.702 4.919 32.154 1.00 0.00 H new ATOM 0 HE3 LYS A -4 41.856 3.852 33.257 1.00 0.00 H new ATOM 0 HZ1 LYS A -4 40.240 5.346 32.631 1.00 0.00 H new ATOM 0 HZ2 LYS A -4 40.764 6.015 34.101 1.00 0.00 H new ATOM 0 HZ3 LYS A -4 41.292 6.679 32.630 1.00 0.00 H new ATOM 181 N ILE A -3 45.245 8.571 30.154 1.00 0.00 N ATOM 182 CA ILE A -3 45.689 8.637 28.762 1.00 0.00 C ATOM 183 C ILE A -3 47.011 9.375 28.593 1.00 0.00 C ATOM 184 O ILE A -3 47.754 9.104 27.664 1.00 0.00 O ATOM 185 CB ILE A -3 44.624 9.280 27.858 1.00 0.00 C ATOM 186 CG1 ILE A -3 44.148 10.615 28.433 1.00 0.00 C ATOM 187 CG2 ILE A -3 43.459 8.328 27.679 1.00 0.00 C ATOM 188 CD1 ILE A -3 43.185 11.356 27.532 1.00 0.00 C ATOM 0 H ILE A -3 44.326 8.984 30.316 1.00 0.00 H new ATOM 0 HA ILE A -3 45.844 7.602 28.457 1.00 0.00 H new ATOM 0 HB ILE A -3 45.070 9.480 26.884 1.00 0.00 H new ATOM 0 HG12 ILE A -3 43.667 10.436 29.395 1.00 0.00 H new ATOM 0 HG13 ILE A -3 45.015 11.248 28.623 1.00 0.00 H new ATOM 0 HG21 ILE A -3 42.708 8.789 27.038 1.00 0.00 H new ATOM 0 HG22 ILE A -3 43.811 7.404 27.219 1.00 0.00 H new ATOM 0 HG23 ILE A -3 43.019 8.105 28.651 1.00 0.00 H new ATOM 0 HD11 ILE A -3 42.891 12.293 28.006 1.00 0.00 H new ATOM 0 HD12 ILE A -3 43.669 11.568 26.578 1.00 0.00 H new ATOM 0 HD13 ILE A -3 42.300 10.742 27.362 1.00 0.00 H new ATOM 200 N GLU A -2 47.313 10.282 29.508 1.00 0.00 N ATOM 201 CA GLU A -2 48.554 11.049 29.441 1.00 0.00 C ATOM 202 C GLU A -2 49.776 10.140 29.586 1.00 0.00 C ATOM 203 O GLU A -2 50.877 10.496 29.171 1.00 0.00 O ATOM 204 CB GLU A -2 48.569 12.128 30.515 1.00 0.00 C ATOM 205 CG GLU A -2 48.397 11.590 31.922 1.00 0.00 C ATOM 206 CD GLU A -2 48.314 12.686 32.949 1.00 0.00 C ATOM 207 OE1 GLU A -2 49.372 13.213 33.355 1.00 0.00 O ATOM 208 OE2 GLU A -2 47.200 13.037 33.352 1.00 0.00 O ATOM 0 H GLU A -2 46.719 10.507 30.306 1.00 0.00 H new ATOM 0 HA GLU A -2 48.602 11.524 28.461 1.00 0.00 H new ATOM 0 HB2 GLU A -2 49.511 12.673 30.457 1.00 0.00 H new ATOM 0 HB3 GLU A -2 47.773 12.844 30.309 1.00 0.00 H new ATOM 0 HG2 GLU A -2 47.493 10.983 31.968 1.00 0.00 H new ATOM 0 HG3 GLU A -2 49.234 10.934 32.162 1.00 0.00 H new ATOM 215 N GLY A -1 49.571 8.965 30.170 1.00 0.00 N ATOM 216 CA GLY A -1 50.656 8.028 30.345 1.00 0.00 C ATOM 217 C GLY A -1 50.761 7.061 29.184 1.00 0.00 C ATOM 218 O GLY A -1 51.668 6.231 29.131 1.00 0.00 O ATOM 0 H GLY A -1 48.669 8.647 30.525 1.00 0.00 H new ATOM 0 HA2 GLY A -1 51.594 8.574 30.449 1.00 0.00 H new ATOM 0 HA3 GLY A -1 50.508 7.470 31.270 1.00 0.00 H new ATOM 222 N ARG A 0 49.828 7.166 28.256 1.00 0.00 N ATOM 223 CA ARG A 0 49.818 6.308 27.081 1.00 0.00 C ATOM 224 C ARG A 0 50.091 7.138 25.857 1.00 0.00 C ATOM 225 O ARG A 0 51.167 7.073 25.266 1.00 0.00 O ATOM 226 CB ARG A 0 48.459 5.628 26.912 1.00 0.00 C ATOM 227 CG ARG A 0 47.906 5.022 28.170 1.00 0.00 C ATOM 228 CD ARG A 0 48.809 3.908 28.682 1.00 0.00 C ATOM 229 NE ARG A 0 49.005 2.868 27.665 1.00 0.00 N ATOM 230 CZ ARG A 0 50.018 1.994 27.652 1.00 0.00 C ATOM 231 NH1 ARG A 0 50.936 2.013 28.614 1.00 0.00 N ATOM 232 NH2 ARG A 0 50.112 1.103 26.674 1.00 0.00 N ATOM 0 H ARG A 0 49.063 7.840 28.292 1.00 0.00 H new ATOM 0 HA ARG A 0 50.585 5.545 27.209 1.00 0.00 H new ATOM 0 HB2 ARG A 0 47.746 6.359 26.532 1.00 0.00 H new ATOM 0 HB3 ARG A 0 48.549 4.847 26.156 1.00 0.00 H new ATOM 0 HG2 ARG A 0 47.804 5.792 28.934 1.00 0.00 H new ATOM 0 HG3 ARG A 0 46.908 4.627 27.980 1.00 0.00 H new ATOM 0 HD2 ARG A 0 49.774 4.324 28.970 1.00 0.00 H new ATOM 0 HD3 ARG A 0 48.372 3.466 29.577 1.00 0.00 H new ATOM 0 HE ARG A 0 48.319 2.807 26.913 1.00 0.00 H new ATOM 0 HH11 ARG A 0 50.870 2.697 29.368 1.00 0.00 H new ATOM 0 HH12 ARG A 0 51.706 1.344 28.598 1.00 0.00 H new ATOM 0 HH21 ARG A 0 49.412 1.084 25.932 1.00 0.00 H new ATOM 0 HH22 ARG A 0 50.884 0.437 26.664 1.00 0.00 H new ATOM 246 N MET A 1 49.112 7.927 25.498 1.00 0.00 N ATOM 247 CA MET A 1 49.190 8.775 24.350 1.00 0.00 C ATOM 248 C MET A 1 49.798 10.116 24.714 1.00 0.00 C ATOM 249 O MET A 1 49.387 10.762 25.680 1.00 0.00 O ATOM 250 CB MET A 1 47.803 8.954 23.702 1.00 0.00 C ATOM 251 CG MET A 1 46.638 9.016 24.692 1.00 0.00 C ATOM 252 SD MET A 1 46.168 7.394 25.339 1.00 0.00 S ATOM 253 CE MET A 1 45.693 6.542 23.834 1.00 0.00 C ATOM 0 H MET A 1 48.229 7.995 26.005 1.00 0.00 H new ATOM 0 HA MET A 1 49.841 8.297 23.618 1.00 0.00 H new ATOM 0 HB2 MET A 1 47.809 9.870 23.111 1.00 0.00 H new ATOM 0 HB3 MET A 1 47.631 8.129 23.011 1.00 0.00 H new ATOM 0 HG2 MET A 1 46.910 9.667 25.523 1.00 0.00 H new ATOM 0 HG3 MET A 1 45.776 9.468 24.201 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.046 5.700 24.081 1.00 0.00 H new ATOM 0 HE2 MET A 1 45.158 7.230 23.180 1.00 0.00 H new ATOM 0 HE3 MET A 1 46.585 6.177 23.325 1.00 0.00 H new ATOM 263 N ASP A 2 50.780 10.521 23.946 1.00 0.00 N ATOM 264 CA ASP A 2 51.478 11.769 24.173 1.00 0.00 C ATOM 265 C ASP A 2 51.848 12.398 22.841 1.00 0.00 C ATOM 266 O ASP A 2 52.171 11.685 21.890 1.00 0.00 O ATOM 267 CB ASP A 2 52.734 11.517 25.019 1.00 0.00 C ATOM 268 CG ASP A 2 53.606 12.743 25.169 1.00 0.00 C ATOM 269 OD1 ASP A 2 53.087 13.801 25.587 1.00 0.00 O ATOM 270 OD2 ASP A 2 54.815 12.652 24.879 1.00 0.00 O ATOM 0 H ASP A 2 51.121 9.994 23.142 1.00 0.00 H new ATOM 0 HA ASP A 2 50.828 12.456 24.715 1.00 0.00 H new ATOM 0 HB2 ASP A 2 52.435 11.169 26.008 1.00 0.00 H new ATOM 0 HB3 ASP A 2 53.318 10.718 24.562 1.00 0.00 H new ATOM 275 N VAL A 3 51.786 13.721 22.763 1.00 0.00 N ATOM 276 CA VAL A 3 52.110 14.420 21.529 1.00 0.00 C ATOM 277 C VAL A 3 53.559 14.147 21.119 1.00 0.00 C ATOM 278 O VAL A 3 54.494 14.363 21.897 1.00 0.00 O ATOM 279 CB VAL A 3 51.841 15.950 21.631 1.00 0.00 C ATOM 280 CG1 VAL A 3 52.560 16.564 22.816 1.00 0.00 C ATOM 281 CG2 VAL A 3 52.237 16.655 20.342 1.00 0.00 C ATOM 0 H VAL A 3 51.515 14.328 23.537 1.00 0.00 H new ATOM 0 HA VAL A 3 51.449 14.032 20.754 1.00 0.00 H new ATOM 0 HB VAL A 3 50.770 16.085 21.786 1.00 0.00 H new ATOM 0 HG11 VAL A 3 52.349 17.633 22.856 1.00 0.00 H new ATOM 0 HG12 VAL A 3 52.215 16.092 23.736 1.00 0.00 H new ATOM 0 HG13 VAL A 3 53.634 16.410 22.710 1.00 0.00 H new ATOM 0 HG21 VAL A 3 52.040 17.723 20.436 1.00 0.00 H new ATOM 0 HG22 VAL A 3 53.299 16.497 20.152 1.00 0.00 H new ATOM 0 HG23 VAL A 3 51.656 16.251 19.513 1.00 0.00 H new ATOM 291 N GLY A 4 53.726 13.652 19.909 1.00 0.00 N ATOM 292 CA GLY A 4 55.034 13.280 19.423 1.00 0.00 C ATOM 293 C GLY A 4 55.134 11.785 19.232 1.00 0.00 C ATOM 294 O GLY A 4 55.871 11.303 18.373 1.00 0.00 O ATOM 0 H GLY A 4 52.968 13.499 19.244 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.232 13.785 18.478 1.00 0.00 H new ATOM 0 HA3 GLY A 4 55.796 13.612 20.128 1.00 0.00 H new ATOM 298 N GLN A 5 54.374 11.054 20.030 1.00 0.00 N ATOM 299 CA GLN A 5 54.332 9.604 19.954 1.00 0.00 C ATOM 300 C GLN A 5 53.403 9.172 18.836 1.00 0.00 C ATOM 301 O GLN A 5 52.599 9.968 18.345 1.00 0.00 O ATOM 302 CB GLN A 5 53.850 9.014 21.286 1.00 0.00 C ATOM 303 CG GLN A 5 54.837 9.177 22.427 1.00 0.00 C ATOM 304 CD GLN A 5 56.053 8.289 22.269 1.00 0.00 C ATOM 305 OE1 GLN A 5 57.048 8.678 21.657 1.00 0.00 O ATOM 306 NE2 GLN A 5 55.983 7.093 22.822 1.00 0.00 N ATOM 0 H GLN A 5 53.768 11.450 20.749 1.00 0.00 H new ATOM 0 HA GLN A 5 55.337 9.236 19.749 1.00 0.00 H new ATOM 0 HB2 GLN A 5 52.909 9.489 21.563 1.00 0.00 H new ATOM 0 HB3 GLN A 5 53.643 7.953 21.148 1.00 0.00 H new ATOM 0 HG2 GLN A 5 55.155 10.218 22.483 1.00 0.00 H new ATOM 0 HG3 GLN A 5 54.341 8.945 23.369 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.139 6.810 23.320 1.00 0.00 H new ATOM 0 HE22 GLN A 5 56.773 6.451 22.751 1.00 0.00 H new ATOM 315 N LYS A 6 53.521 7.934 18.419 1.00 0.00 N ATOM 316 CA LYS A 6 52.665 7.415 17.379 1.00 0.00 C ATOM 317 C LYS A 6 51.625 6.487 17.959 1.00 0.00 C ATOM 318 O LYS A 6 51.832 5.888 19.013 1.00 0.00 O ATOM 319 CB LYS A 6 53.465 6.689 16.303 1.00 0.00 C ATOM 320 CG LYS A 6 54.408 7.581 15.523 1.00 0.00 C ATOM 321 CD LYS A 6 54.803 6.939 14.207 1.00 0.00 C ATOM 322 CE LYS A 6 55.955 7.672 13.549 1.00 0.00 C ATOM 323 NZ LYS A 6 55.709 9.131 13.444 1.00 0.00 N ATOM 0 H LYS A 6 54.201 7.267 18.784 1.00 0.00 H new ATOM 0 HA LYS A 6 52.166 8.266 16.915 1.00 0.00 H new ATOM 0 HB2 LYS A 6 54.041 5.891 16.771 1.00 0.00 H new ATOM 0 HB3 LYS A 6 52.772 6.216 15.608 1.00 0.00 H new ATOM 0 HG2 LYS A 6 53.931 8.542 15.333 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.300 7.780 16.117 1.00 0.00 H new ATOM 0 HD2 LYS A 6 55.084 5.900 14.379 1.00 0.00 H new ATOM 0 HD3 LYS A 6 53.945 6.931 13.534 1.00 0.00 H new ATOM 0 HE2 LYS A 6 56.866 7.500 14.122 1.00 0.00 H new ATOM 0 HE3 LYS A 6 56.122 7.262 12.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 56.457 9.569 12.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 54.786 9.296 12.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 55.711 9.553 14.395 1.00 0.00 H new ATOM 337 N VAL A 7 50.507 6.392 17.287 1.00 0.00 N ATOM 338 CA VAL A 7 49.438 5.516 17.699 1.00 0.00 C ATOM 339 C VAL A 7 48.863 4.785 16.505 1.00 0.00 C ATOM 340 O VAL A 7 48.975 5.244 15.365 1.00 0.00 O ATOM 341 CB VAL A 7 48.305 6.267 18.437 1.00 0.00 C ATOM 342 CG1 VAL A 7 48.726 6.634 19.849 1.00 0.00 C ATOM 343 CG2 VAL A 7 47.888 7.502 17.665 1.00 0.00 C ATOM 0 H VAL A 7 50.311 6.920 16.437 1.00 0.00 H new ATOM 0 HA VAL A 7 49.873 4.802 18.398 1.00 0.00 H new ATOM 0 HB VAL A 7 47.446 5.599 18.503 1.00 0.00 H new ATOM 0 HG11 VAL A 7 47.912 7.161 20.346 1.00 0.00 H new ATOM 0 HG12 VAL A 7 48.964 5.727 20.405 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.605 7.278 19.811 1.00 0.00 H new ATOM 0 HG21 VAL A 7 47.090 8.015 18.202 1.00 0.00 H new ATOM 0 HG22 VAL A 7 48.742 8.171 17.559 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.531 7.210 16.677 1.00 0.00 H new ATOM 353 N ARG A 8 48.260 3.653 16.769 1.00 0.00 N ATOM 354 CA ARG A 8 47.667 2.838 15.734 1.00 0.00 C ATOM 355 C ARG A 8 46.192 2.626 16.017 1.00 0.00 C ATOM 356 O ARG A 8 45.824 2.149 17.091 1.00 0.00 O ATOM 357 CB ARG A 8 48.386 1.489 15.659 1.00 0.00 C ATOM 358 CG ARG A 8 47.766 0.494 14.692 1.00 0.00 C ATOM 359 CD ARG A 8 48.439 -0.861 14.806 1.00 0.00 C ATOM 360 NE ARG A 8 47.836 -1.859 13.921 1.00 0.00 N ATOM 361 CZ ARG A 8 47.042 -2.858 14.328 1.00 0.00 C ATOM 362 NH1 ARG A 8 46.727 -2.995 15.613 1.00 0.00 N ATOM 363 NH2 ARG A 8 46.572 -3.730 13.447 1.00 0.00 N ATOM 0 H ARG A 8 48.165 3.268 17.709 1.00 0.00 H new ATOM 0 HA ARG A 8 47.770 3.350 14.777 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.422 1.660 15.368 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.403 1.046 16.655 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.701 0.394 14.900 1.00 0.00 H new ATOM 0 HG3 ARG A 8 47.858 0.866 13.672 1.00 0.00 H new ATOM 0 HD2 ARG A 8 49.498 -0.759 14.567 1.00 0.00 H new ATOM 0 HD3 ARG A 8 48.377 -1.209 15.837 1.00 0.00 H new ATOM 0 HE ARG A 8 48.035 -1.789 12.923 1.00 0.00 H new ATOM 0 HH11 ARG A 8 47.091 -2.335 16.300 1.00 0.00 H new ATOM 0 HH12 ARG A 8 46.121 -3.760 15.911 1.00 0.00 H new ATOM 0 HH21 ARG A 8 46.815 -3.640 12.461 1.00 0.00 H new ATOM 0 HH22 ARG A 8 45.967 -4.491 13.756 1.00 0.00 H new ATOM 377 N VAL A 9 45.355 2.993 15.067 1.00 0.00 N ATOM 378 CA VAL A 9 43.919 2.805 15.214 1.00 0.00 C ATOM 379 C VAL A 9 43.605 1.325 15.114 1.00 0.00 C ATOM 380 O VAL A 9 43.833 0.707 14.076 1.00 0.00 O ATOM 381 CB VAL A 9 43.132 3.568 14.129 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.647 3.585 14.456 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.668 4.984 13.967 1.00 0.00 C ATOM 0 H VAL A 9 45.640 3.422 14.187 1.00 0.00 H new ATOM 0 HA VAL A 9 43.619 3.198 16.185 1.00 0.00 H new ATOM 0 HB VAL A 9 43.265 3.047 13.181 1.00 0.00 H new ATOM 0 HG11 VAL A 9 41.109 4.128 13.679 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.274 2.562 14.508 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.491 4.077 15.416 1.00 0.00 H new ATOM 0 HG21 VAL A 9 43.098 5.503 13.197 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.573 5.519 14.912 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.718 4.945 13.677 1.00 0.00 H new ATOM 393 N CYS A 10 43.103 0.756 16.186 1.00 0.00 N ATOM 394 CA CYS A 10 42.855 -0.671 16.220 1.00 0.00 C ATOM 395 C CYS A 10 41.370 -0.989 16.336 1.00 0.00 C ATOM 396 O CYS A 10 40.848 -1.820 15.593 1.00 0.00 O ATOM 397 CB CYS A 10 43.621 -1.310 17.382 1.00 0.00 C ATOM 398 SG CYS A 10 43.505 -3.112 17.449 1.00 0.00 S ATOM 0 H CYS A 10 42.859 1.254 17.042 1.00 0.00 H new ATOM 0 HA CYS A 10 43.208 -1.088 15.277 1.00 0.00 H new ATOM 0 HB2 CYS A 10 44.671 -1.028 17.308 1.00 0.00 H new ATOM 0 HB3 CYS A 10 43.246 -0.899 18.319 1.00 0.00 H new ATOM 0 HG CYS A 10 44.187 -3.553 18.464 1.00 0.00 H new ATOM 404 N ARG A 11 40.692 -0.320 17.243 1.00 0.00 N ATOM 405 CA ARG A 11 39.294 -0.603 17.494 1.00 0.00 C ATOM 406 C ARG A 11 38.502 0.680 17.619 1.00 0.00 C ATOM 407 O ARG A 11 38.900 1.590 18.327 1.00 0.00 O ATOM 408 CB ARG A 11 39.151 -1.436 18.776 1.00 0.00 C ATOM 409 CG ARG A 11 39.836 -0.816 19.991 1.00 0.00 C ATOM 410 CD ARG A 11 39.581 -1.617 21.255 1.00 0.00 C ATOM 411 NE ARG A 11 40.200 -0.997 22.433 1.00 0.00 N ATOM 412 CZ ARG A 11 40.122 -1.487 23.673 1.00 0.00 C ATOM 413 NH1 ARG A 11 39.428 -2.595 23.912 1.00 0.00 N ATOM 414 NH2 ARG A 11 40.734 -0.867 24.675 1.00 0.00 N ATOM 0 H ARG A 11 41.085 0.424 17.819 1.00 0.00 H new ATOM 0 HA ARG A 11 38.899 -1.170 16.651 1.00 0.00 H new ATOM 0 HB2 ARG A 11 38.092 -1.569 18.996 1.00 0.00 H new ATOM 0 HB3 ARG A 11 39.568 -2.428 18.602 1.00 0.00 H new ATOM 0 HG2 ARG A 11 40.909 -0.755 19.811 1.00 0.00 H new ATOM 0 HG3 ARG A 11 39.477 0.204 20.129 1.00 0.00 H new ATOM 0 HD2 ARG A 11 38.507 -1.708 21.416 1.00 0.00 H new ATOM 0 HD3 ARG A 11 39.972 -2.627 21.129 1.00 0.00 H new ATOM 0 HE ARG A 11 40.725 -0.134 22.295 1.00 0.00 H new ATOM 0 HH11 ARG A 11 38.953 -3.074 23.147 1.00 0.00 H new ATOM 0 HH12 ARG A 11 39.371 -2.966 24.860 1.00 0.00 H new ATOM 0 HH21 ARG A 11 41.265 -0.014 24.499 1.00 0.00 H new ATOM 0 HH22 ARG A 11 40.673 -1.243 25.621 1.00 0.00 H new ATOM 428 N ILE A 12 37.379 0.742 16.936 1.00 0.00 N ATOM 429 CA ILE A 12 36.524 1.912 16.995 1.00 0.00 C ATOM 430 C ILE A 12 35.582 1.776 18.170 1.00 0.00 C ATOM 431 O ILE A 12 34.864 0.779 18.287 1.00 0.00 O ATOM 432 CB ILE A 12 35.717 2.093 15.684 1.00 0.00 C ATOM 433 CG1 ILE A 12 36.680 2.191 14.498 1.00 0.00 C ATOM 434 CG2 ILE A 12 34.825 3.336 15.765 1.00 0.00 C ATOM 435 CD1 ILE A 12 36.002 2.326 13.155 1.00 0.00 C ATOM 0 H ILE A 12 37.035 -0.004 16.332 1.00 0.00 H new ATOM 0 HA ILE A 12 37.151 2.795 17.119 1.00 0.00 H new ATOM 0 HB ILE A 12 35.070 1.228 15.543 1.00 0.00 H new ATOM 0 HG12 ILE A 12 37.336 3.048 14.648 1.00 0.00 H new ATOM 0 HG13 ILE A 12 37.313 1.304 14.485 1.00 0.00 H new ATOM 0 HG21 ILE A 12 34.267 3.445 14.835 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.128 3.230 16.596 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.445 4.219 15.922 1.00 0.00 H new ATOM 0 HD11 ILE A 12 36.757 2.389 12.371 1.00 0.00 H new ATOM 0 HD12 ILE A 12 35.368 1.457 12.979 1.00 0.00 H new ATOM 0 HD13 ILE A 12 35.392 3.229 13.145 1.00 0.00 H new ATOM 447 N ARG A 13 35.596 2.761 19.042 1.00 0.00 N ATOM 448 CA ARG A 13 34.800 2.712 20.254 1.00 0.00 C ATOM 449 C ARG A 13 33.320 2.824 19.932 1.00 0.00 C ATOM 450 O ARG A 13 32.510 2.018 20.399 1.00 0.00 O ATOM 451 CB ARG A 13 35.218 3.822 21.219 1.00 0.00 C ATOM 452 CG ARG A 13 34.573 3.714 22.592 1.00 0.00 C ATOM 453 CD ARG A 13 34.978 4.870 23.488 1.00 0.00 C ATOM 454 NE ARG A 13 34.467 4.717 24.852 1.00 0.00 N ATOM 455 CZ ARG A 13 33.984 5.717 25.596 1.00 0.00 C ATOM 456 NH1 ARG A 13 33.842 6.934 25.077 1.00 0.00 N ATOM 457 NH2 ARG A 13 33.615 5.492 26.852 1.00 0.00 N ATOM 0 H ARG A 13 36.152 3.610 18.935 1.00 0.00 H new ATOM 0 HA ARG A 13 34.976 1.750 20.735 1.00 0.00 H new ATOM 0 HB2 ARG A 13 36.302 3.802 21.334 1.00 0.00 H new ATOM 0 HB3 ARG A 13 34.961 4.787 20.782 1.00 0.00 H new ATOM 0 HG2 ARG A 13 33.488 3.697 22.486 1.00 0.00 H new ATOM 0 HG3 ARG A 13 34.862 2.772 23.058 1.00 0.00 H new ATOM 0 HD2 ARG A 13 36.065 4.943 23.515 1.00 0.00 H new ATOM 0 HD3 ARG A 13 34.606 5.803 23.065 1.00 0.00 H new ATOM 0 HE ARG A 13 34.481 3.783 25.262 1.00 0.00 H new ATOM 0 HH11 ARG A 13 34.102 7.108 24.106 1.00 0.00 H new ATOM 0 HH12 ARG A 13 33.473 7.693 25.650 1.00 0.00 H new ATOM 0 HH21 ARG A 13 33.700 4.556 27.249 1.00 0.00 H new ATOM 0 HH22 ARG A 13 33.246 6.255 27.420 1.00 0.00 H new ATOM 471 N ASP A 14 32.979 3.808 19.126 1.00 0.00 N ATOM 472 CA ASP A 14 31.599 4.055 18.750 1.00 0.00 C ATOM 473 C ASP A 14 31.554 4.988 17.562 1.00 0.00 C ATOM 474 O ASP A 14 32.476 5.776 17.369 1.00 0.00 O ATOM 475 CB ASP A 14 30.830 4.670 19.930 1.00 0.00 C ATOM 476 CG ASP A 14 29.381 4.946 19.602 1.00 0.00 C ATOM 477 OD1 ASP A 14 28.599 3.978 19.497 1.00 0.00 O ATOM 478 OD2 ASP A 14 29.017 6.127 19.446 1.00 0.00 O ATOM 0 H ASP A 14 33.647 4.459 18.713 1.00 0.00 H new ATOM 0 HA ASP A 14 31.129 3.109 18.481 1.00 0.00 H new ATOM 0 HB2 ASP A 14 30.883 3.995 20.784 1.00 0.00 H new ATOM 0 HB3 ASP A 14 31.314 5.600 20.229 1.00 0.00 H new ATOM 483 N ARG A 15 30.487 4.885 16.759 1.00 0.00 N ATOM 484 CA ARG A 15 30.301 5.739 15.583 1.00 0.00 C ATOM 485 C ARG A 15 31.363 5.448 14.521 1.00 0.00 C ATOM 486 O ARG A 15 32.419 6.079 14.489 1.00 0.00 O ATOM 487 CB ARG A 15 30.335 7.219 15.995 1.00 0.00 C ATOM 488 CG ARG A 15 30.226 8.204 14.849 1.00 0.00 C ATOM 489 CD ARG A 15 30.578 9.600 15.320 1.00 0.00 C ATOM 490 NE ARG A 15 30.455 10.596 14.256 1.00 0.00 N ATOM 491 CZ ARG A 15 31.070 11.785 14.266 1.00 0.00 C ATOM 492 NH1 ARG A 15 31.842 12.131 15.291 1.00 0.00 N ATOM 493 NH2 ARG A 15 30.897 12.631 13.262 1.00 0.00 N ATOM 0 H ARG A 15 29.735 4.212 16.906 1.00 0.00 H new ATOM 0 HA ARG A 15 29.326 5.519 15.148 1.00 0.00 H new ATOM 0 HB2 ARG A 15 29.519 7.405 16.694 1.00 0.00 H new ATOM 0 HB3 ARG A 15 31.264 7.410 16.532 1.00 0.00 H new ATOM 0 HG2 ARG A 15 30.894 7.907 14.040 1.00 0.00 H new ATOM 0 HG3 ARG A 15 29.213 8.193 14.446 1.00 0.00 H new ATOM 0 HD2 ARG A 15 29.926 9.876 16.149 1.00 0.00 H new ATOM 0 HD3 ARG A 15 31.599 9.605 15.702 1.00 0.00 H new ATOM 0 HE ARG A 15 29.864 10.370 13.456 1.00 0.00 H new ATOM 0 HH11 ARG A 15 31.968 11.490 16.074 1.00 0.00 H new ATOM 0 HH12 ARG A 15 32.309 13.038 15.295 1.00 0.00 H new ATOM 0 HH21 ARG A 15 30.294 12.377 12.479 1.00 0.00 H new ATOM 0 HH22 ARG A 15 31.366 13.537 13.271 1.00 0.00 H new ATOM 507 N VAL A 16 31.090 4.484 13.663 1.00 0.00 N ATOM 508 CA VAL A 16 32.042 4.123 12.637 1.00 0.00 C ATOM 509 C VAL A 16 31.803 4.933 11.372 1.00 0.00 C ATOM 510 O VAL A 16 30.776 4.783 10.708 1.00 0.00 O ATOM 511 CB VAL A 16 31.956 2.614 12.294 1.00 0.00 C ATOM 512 CG1 VAL A 16 32.997 2.234 11.245 1.00 0.00 C ATOM 513 CG2 VAL A 16 32.123 1.768 13.548 1.00 0.00 C ATOM 0 H VAL A 16 30.225 3.943 13.657 1.00 0.00 H new ATOM 0 HA VAL A 16 33.036 4.341 13.028 1.00 0.00 H new ATOM 0 HB VAL A 16 30.968 2.417 11.877 1.00 0.00 H new ATOM 0 HG11 VAL A 16 32.917 1.170 11.021 1.00 0.00 H new ATOM 0 HG12 VAL A 16 32.825 2.810 10.336 1.00 0.00 H new ATOM 0 HG13 VAL A 16 33.995 2.450 11.628 1.00 0.00 H new ATOM 0 HG21 VAL A 16 32.059 0.712 13.286 1.00 0.00 H new ATOM 0 HG22 VAL A 16 33.095 1.972 13.998 1.00 0.00 H new ATOM 0 HG23 VAL A 16 31.335 2.013 14.260 1.00 0.00 H new ATOM 523 N ALA A 17 32.743 5.800 11.061 1.00 0.00 N ATOM 524 CA ALA A 17 32.703 6.568 9.839 1.00 0.00 C ATOM 525 C ALA A 17 33.371 5.787 8.719 1.00 0.00 C ATOM 526 O ALA A 17 34.296 5.006 8.969 1.00 0.00 O ATOM 527 CB ALA A 17 33.371 7.925 10.028 1.00 0.00 C ATOM 0 H ALA A 17 33.555 5.991 11.649 1.00 0.00 H new ATOM 0 HA ALA A 17 31.662 6.747 9.570 1.00 0.00 H new ATOM 0 HB1 ALA A 17 33.328 8.485 9.094 1.00 0.00 H new ATOM 0 HB2 ALA A 17 32.851 8.481 10.808 1.00 0.00 H new ATOM 0 HB3 ALA A 17 34.412 7.781 10.317 1.00 0.00 H new ATOM 533 N GLN A 18 32.927 6.007 7.492 1.00 0.00 N ATOM 534 CA GLN A 18 33.501 5.323 6.330 1.00 0.00 C ATOM 535 C GLN A 18 34.968 5.736 6.131 1.00 0.00 C ATOM 536 O GLN A 18 35.737 5.058 5.449 1.00 0.00 O ATOM 537 CB GLN A 18 32.677 5.634 5.073 1.00 0.00 C ATOM 538 CG GLN A 18 33.125 4.883 3.824 1.00 0.00 C ATOM 539 CD GLN A 18 32.357 5.303 2.584 1.00 0.00 C ATOM 540 OE1 GLN A 18 31.192 5.692 2.662 1.00 0.00 O ATOM 541 NE2 GLN A 18 33.001 5.235 1.438 1.00 0.00 N ATOM 0 H GLN A 18 32.170 6.653 7.268 1.00 0.00 H new ATOM 0 HA GLN A 18 33.471 4.248 6.508 1.00 0.00 H new ATOM 0 HB2 GLN A 18 31.632 5.395 5.270 1.00 0.00 H new ATOM 0 HB3 GLN A 18 32.728 6.705 4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 18 34.189 5.055 3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 18 32.995 3.812 3.982 1.00 0.00 H new ATOM 0 HE21 GLN A 18 33.967 4.907 1.414 1.00 0.00 H new ATOM 0 HE22 GLN A 18 32.534 5.510 0.574 1.00 0.00 H new ATOM 550 N ASP A 19 35.346 6.851 6.735 1.00 0.00 N ATOM 551 CA ASP A 19 36.714 7.345 6.646 1.00 0.00 C ATOM 552 C ASP A 19 37.604 6.678 7.689 1.00 0.00 C ATOM 553 O ASP A 19 38.668 6.159 7.366 1.00 0.00 O ATOM 554 CB ASP A 19 36.757 8.865 6.833 1.00 0.00 C ATOM 555 CG ASP A 19 36.004 9.614 5.757 1.00 0.00 C ATOM 556 OD1 ASP A 19 34.794 9.854 5.937 1.00 0.00 O ATOM 557 OD2 ASP A 19 36.618 9.977 4.732 1.00 0.00 O ATOM 0 H ASP A 19 34.724 7.434 7.294 1.00 0.00 H new ATOM 0 HA ASP A 19 37.089 7.098 5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 19 36.336 9.118 7.806 1.00 0.00 H new ATOM 0 HB3 ASP A 19 37.796 9.196 6.839 1.00 0.00 H new ATOM 562 N ILE A 20 37.147 6.669 8.942 1.00 0.00 N ATOM 563 CA ILE A 20 37.946 6.118 10.038 1.00 0.00 C ATOM 564 C ILE A 20 38.080 4.600 9.950 1.00 0.00 C ATOM 565 O ILE A 20 39.024 4.028 10.485 1.00 0.00 O ATOM 566 CB ILE A 20 37.405 6.516 11.434 1.00 0.00 C ATOM 567 CG1 ILE A 20 36.040 5.879 11.703 1.00 0.00 C ATOM 568 CG2 ILE A 20 37.327 8.033 11.561 1.00 0.00 C ATOM 569 CD1 ILE A 20 35.495 6.177 13.086 1.00 0.00 C ATOM 0 H ILE A 20 36.236 7.033 9.222 1.00 0.00 H new ATOM 0 HA ILE A 20 38.935 6.561 9.922 1.00 0.00 H new ATOM 0 HB ILE A 20 38.100 6.139 12.185 1.00 0.00 H new ATOM 0 HG12 ILE A 20 35.329 6.234 10.957 1.00 0.00 H new ATOM 0 HG13 ILE A 20 36.121 4.799 11.578 1.00 0.00 H new ATOM 0 HG21 ILE A 20 36.945 8.296 12.547 1.00 0.00 H new ATOM 0 HG22 ILE A 20 38.321 8.461 11.431 1.00 0.00 H new ATOM 0 HG23 ILE A 20 36.659 8.428 10.796 1.00 0.00 H new ATOM 0 HD11 ILE A 20 34.525 5.694 13.207 1.00 0.00 H new ATOM 0 HD12 ILE A 20 36.186 5.797 13.839 1.00 0.00 H new ATOM 0 HD13 ILE A 20 35.382 7.254 13.208 1.00 0.00 H new ATOM 581 N ILE A 21 37.146 3.950 9.260 1.00 0.00 N ATOM 582 CA ILE A 21 37.211 2.502 9.091 1.00 0.00 C ATOM 583 C ILE A 21 38.399 2.133 8.189 1.00 0.00 C ATOM 584 O ILE A 21 38.902 1.009 8.220 1.00 0.00 O ATOM 585 CB ILE A 21 35.884 1.925 8.511 1.00 0.00 C ATOM 586 CG1 ILE A 21 35.861 0.395 8.635 1.00 0.00 C ATOM 587 CG2 ILE A 21 35.694 2.343 7.059 1.00 0.00 C ATOM 588 CD1 ILE A 21 34.562 -0.239 8.175 1.00 0.00 C ATOM 0 H ILE A 21 36.345 4.397 8.814 1.00 0.00 H new ATOM 0 HA ILE A 21 37.354 2.056 10.075 1.00 0.00 H new ATOM 0 HB ILE A 21 35.058 2.334 9.092 1.00 0.00 H new ATOM 0 HG12 ILE A 21 36.683 -0.020 8.051 1.00 0.00 H new ATOM 0 HG13 ILE A 21 36.039 0.122 9.675 1.00 0.00 H new ATOM 0 HG21 ILE A 21 34.761 1.927 6.680 1.00 0.00 H new ATOM 0 HG22 ILE A 21 35.659 3.431 6.995 1.00 0.00 H new ATOM 0 HG23 ILE A 21 36.526 1.971 6.461 1.00 0.00 H new ATOM 0 HD11 ILE A 21 34.623 -1.321 8.293 1.00 0.00 H new ATOM 0 HD12 ILE A 21 33.737 0.146 8.775 1.00 0.00 H new ATOM 0 HD13 ILE A 21 34.391 0.002 7.126 1.00 0.00 H new ATOM 600 N GLN A 22 38.856 3.107 7.406 1.00 0.00 N ATOM 601 CA GLN A 22 40.000 2.919 6.527 1.00 0.00 C ATOM 602 C GLN A 22 41.291 3.193 7.283 1.00 0.00 C ATOM 603 O GLN A 22 42.387 2.925 6.790 1.00 0.00 O ATOM 604 CB GLN A 22 39.906 3.856 5.323 1.00 0.00 C ATOM 605 CG GLN A 22 38.724 3.580 4.410 1.00 0.00 C ATOM 606 CD GLN A 22 38.760 2.188 3.814 1.00 0.00 C ATOM 607 OE1 GLN A 22 38.217 1.241 4.381 1.00 0.00 O ATOM 608 NE2 GLN A 22 39.396 2.053 2.665 1.00 0.00 N ATOM 0 H GLN A 22 38.446 4.040 7.365 1.00 0.00 H new ATOM 0 HA GLN A 22 39.999 1.887 6.176 1.00 0.00 H new ATOM 0 HB2 GLN A 22 39.842 4.884 5.681 1.00 0.00 H new ATOM 0 HB3 GLN A 22 40.825 3.777 4.743 1.00 0.00 H new ATOM 0 HG2 GLN A 22 37.799 3.707 4.972 1.00 0.00 H new ATOM 0 HG3 GLN A 22 38.712 4.315 3.605 1.00 0.00 H new ATOM 0 HE21 GLN A 22 39.834 2.863 2.226 1.00 0.00 H new ATOM 0 HE22 GLN A 22 39.450 1.139 2.216 1.00 0.00 H new ATOM 617 N LYS A 23 41.152 3.725 8.485 1.00 0.00 N ATOM 618 CA LYS A 23 42.295 4.064 9.311 1.00 0.00 C ATOM 619 C LYS A 23 42.601 2.935 10.286 1.00 0.00 C ATOM 620 O LYS A 23 43.517 3.032 11.095 1.00 0.00 O ATOM 621 CB LYS A 23 42.029 5.369 10.070 1.00 0.00 C ATOM 622 CG LYS A 23 41.586 6.539 9.184 1.00 0.00 C ATOM 623 CD LYS A 23 42.757 7.380 8.657 1.00 0.00 C ATOM 624 CE LYS A 23 43.644 6.621 7.699 1.00 0.00 C ATOM 625 NZ LYS A 23 44.558 7.532 6.956 1.00 0.00 N ATOM 0 H LYS A 23 40.250 3.933 8.913 1.00 0.00 H new ATOM 0 HA LYS A 23 43.162 4.205 8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 23 41.261 5.188 10.822 1.00 0.00 H new ATOM 0 HB3 LYS A 23 42.935 5.656 10.603 1.00 0.00 H new ATOM 0 HG2 LYS A 23 41.018 6.151 8.339 1.00 0.00 H new ATOM 0 HG3 LYS A 23 40.913 7.181 9.752 1.00 0.00 H new ATOM 0 HD2 LYS A 23 42.365 8.266 8.157 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.355 7.728 9.499 1.00 0.00 H new ATOM 0 HE2 LYS A 23 44.231 5.887 8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 23 43.026 6.068 6.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 45.151 6.976 6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 43.997 8.217 6.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 45.165 8.041 7.630 1.00 0.00 H new ATOM 639 N LEU A 24 41.826 1.867 10.206 1.00 0.00 N ATOM 640 CA LEU A 24 42.049 0.705 11.049 1.00 0.00 C ATOM 641 C LEU A 24 43.323 -0.007 10.626 1.00 0.00 C ATOM 642 O LEU A 24 43.433 -0.490 9.493 1.00 0.00 O ATOM 643 CB LEU A 24 40.851 -0.245 10.997 1.00 0.00 C ATOM 644 CG LEU A 24 39.568 0.273 11.649 1.00 0.00 C ATOM 645 CD1 LEU A 24 38.441 -0.729 11.479 1.00 0.00 C ATOM 646 CD2 LEU A 24 39.803 0.565 13.125 1.00 0.00 C ATOM 0 H LEU A 24 41.037 1.780 9.566 1.00 0.00 H new ATOM 0 HA LEU A 24 42.162 1.040 12.080 1.00 0.00 H new ATOM 0 HB2 LEU A 24 40.639 -0.477 9.953 1.00 0.00 H new ATOM 0 HB3 LEU A 24 41.131 -1.181 11.481 1.00 0.00 H new ATOM 0 HG LEU A 24 39.280 1.200 11.154 1.00 0.00 H new ATOM 0 HD11 LEU A 24 37.537 -0.343 11.949 1.00 0.00 H new ATOM 0 HD12 LEU A 24 38.256 -0.892 10.417 1.00 0.00 H new ATOM 0 HD13 LEU A 24 38.719 -1.673 11.948 1.00 0.00 H new ATOM 0 HD21 LEU A 24 38.881 0.933 13.574 1.00 0.00 H new ATOM 0 HD22 LEU A 24 40.114 -0.349 13.632 1.00 0.00 H new ATOM 0 HD23 LEU A 24 40.582 1.320 13.227 1.00 0.00 H new ATOM 658 N GLY A 25 44.283 -0.056 11.531 1.00 0.00 N ATOM 659 CA GLY A 25 45.564 -0.649 11.230 1.00 0.00 C ATOM 660 C GLY A 25 46.551 0.395 10.755 1.00 0.00 C ATOM 661 O GLY A 25 47.627 0.069 10.256 1.00 0.00 O ATOM 0 H GLY A 25 44.196 0.309 12.479 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.955 -1.146 12.118 1.00 0.00 H new ATOM 0 HA3 GLY A 25 45.443 -1.414 10.463 1.00 0.00 H new ATOM 665 N GLN A 26 46.175 1.653 10.904 1.00 0.00 N ATOM 666 CA GLN A 26 47.005 2.765 10.478 1.00 0.00 C ATOM 667 C GLN A 26 47.809 3.303 11.655 1.00 0.00 C ATOM 668 O GLN A 26 47.299 3.389 12.771 1.00 0.00 O ATOM 669 CB GLN A 26 46.123 3.876 9.924 1.00 0.00 C ATOM 670 CG GLN A 26 46.794 4.741 8.890 1.00 0.00 C ATOM 671 CD GLN A 26 46.933 4.034 7.568 1.00 0.00 C ATOM 672 OE1 GLN A 26 47.941 3.382 7.299 1.00 0.00 O ATOM 673 NE2 GLN A 26 45.916 4.149 6.740 1.00 0.00 N ATOM 0 H GLN A 26 45.288 1.932 11.323 1.00 0.00 H new ATOM 0 HA GLN A 26 47.691 2.417 9.706 1.00 0.00 H new ATOM 0 HB2 GLN A 26 45.230 3.431 9.485 1.00 0.00 H new ATOM 0 HB3 GLN A 26 45.792 4.507 10.749 1.00 0.00 H new ATOM 0 HG2 GLN A 26 46.217 5.656 8.753 1.00 0.00 H new ATOM 0 HG3 GLN A 26 47.780 5.036 9.249 1.00 0.00 H new ATOM 0 HE21 GLN A 26 45.101 4.701 7.007 1.00 0.00 H new ATOM 0 HE22 GLN A 26 45.943 3.686 5.831 1.00 0.00 H new ATOM 682 N VAL A 27 49.058 3.662 11.403 1.00 0.00 N ATOM 683 CA VAL A 27 49.919 4.219 12.441 1.00 0.00 C ATOM 684 C VAL A 27 50.281 5.663 12.100 1.00 0.00 C ATOM 685 O VAL A 27 50.818 5.934 11.020 1.00 0.00 O ATOM 686 CB VAL A 27 51.225 3.403 12.603 1.00 0.00 C ATOM 687 CG1 VAL A 27 52.029 3.905 13.793 1.00 0.00 C ATOM 688 CG2 VAL A 27 50.924 1.920 12.745 1.00 0.00 C ATOM 0 H VAL A 27 49.501 3.578 10.488 1.00 0.00 H new ATOM 0 HA VAL A 27 49.365 4.177 13.379 1.00 0.00 H new ATOM 0 HB VAL A 27 51.824 3.542 11.703 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.942 3.318 13.889 1.00 0.00 H new ATOM 0 HG12 VAL A 27 52.286 4.954 13.642 1.00 0.00 H new ATOM 0 HG13 VAL A 27 51.436 3.804 14.702 1.00 0.00 H new ATOM 0 HG21 VAL A 27 51.857 1.368 12.857 1.00 0.00 H new ATOM 0 HG22 VAL A 27 50.299 1.758 13.623 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.400 1.568 11.856 1.00 0.00 H new ATOM 698 N GLY A 28 49.985 6.582 13.005 1.00 0.00 N ATOM 699 CA GLY A 28 50.286 7.982 12.763 1.00 0.00 C ATOM 700 C GLY A 28 50.835 8.674 13.991 1.00 0.00 C ATOM 701 O GLY A 28 50.809 8.112 15.084 1.00 0.00 O ATOM 0 H GLY A 28 49.542 6.387 13.903 1.00 0.00 H new ATOM 0 HA2 GLY A 28 51.009 8.060 11.951 1.00 0.00 H new ATOM 0 HA3 GLY A 28 49.381 8.494 12.435 1.00 0.00 H new ATOM 705 N GLN A 29 51.317 9.891 13.816 1.00 0.00 N ATOM 706 CA GLN A 29 51.899 10.661 14.911 1.00 0.00 C ATOM 707 C GLN A 29 50.847 11.531 15.591 1.00 0.00 C ATOM 708 O GLN A 29 50.045 12.189 14.922 1.00 0.00 O ATOM 709 CB GLN A 29 53.033 11.550 14.384 1.00 0.00 C ATOM 710 CG GLN A 29 53.655 12.461 15.437 1.00 0.00 C ATOM 711 CD GLN A 29 54.583 13.499 14.836 1.00 0.00 C ATOM 712 OE1 GLN A 29 54.154 14.600 14.481 1.00 0.00 O ATOM 713 NE2 GLN A 29 55.855 13.165 14.725 1.00 0.00 N ATOM 0 H GLN A 29 51.318 10.375 12.918 1.00 0.00 H new ATOM 0 HA GLN A 29 52.294 9.957 15.644 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.812 10.914 13.964 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.649 12.164 13.569 1.00 0.00 H new ATOM 0 HG2 GLN A 29 52.862 12.965 15.990 1.00 0.00 H new ATOM 0 HG3 GLN A 29 54.209 11.856 16.154 1.00 0.00 H new ATOM 0 HE21 GLN A 29 56.169 12.244 15.031 1.00 0.00 H new ATOM 0 HE22 GLN A 29 56.524 13.828 14.334 1.00 0.00 H new ATOM 722 N ILE A 30 50.845 11.521 16.914 1.00 0.00 N ATOM 723 CA ILE A 30 49.948 12.369 17.677 1.00 0.00 C ATOM 724 C ILE A 30 50.462 13.794 17.639 1.00 0.00 C ATOM 725 O ILE A 30 51.511 14.094 18.215 1.00 0.00 O ATOM 726 CB ILE A 30 49.856 11.929 19.153 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.445 10.466 19.261 1.00 0.00 C ATOM 728 CG2 ILE A 30 48.871 12.816 19.915 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.451 9.948 20.681 1.00 0.00 C ATOM 0 H ILE A 30 51.456 10.934 17.481 1.00 0.00 H new ATOM 0 HA ILE A 30 48.957 12.291 17.229 1.00 0.00 H new ATOM 0 HB ILE A 30 50.844 12.039 19.601 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.447 10.344 18.841 1.00 0.00 H new ATOM 0 HG13 ILE A 30 50.121 9.860 18.657 1.00 0.00 H new ATOM 0 HG21 ILE A 30 48.818 12.492 20.954 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.208 13.852 19.875 1.00 0.00 H new ATOM 0 HG23 ILE A 30 47.884 12.738 19.460 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.149 8.901 20.688 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.454 10.039 21.097 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.754 10.530 21.284 1.00 0.00 H new ATOM 741 N THR A 31 49.749 14.661 16.965 1.00 0.00 N ATOM 742 CA THR A 31 50.158 16.041 16.865 1.00 0.00 C ATOM 743 C THR A 31 49.542 16.887 17.967 1.00 0.00 C ATOM 744 O THR A 31 49.909 18.049 18.149 1.00 0.00 O ATOM 745 CB THR A 31 49.814 16.623 15.502 1.00 0.00 C ATOM 746 OG1 THR A 31 48.487 16.224 15.117 1.00 0.00 O ATOM 747 CG2 THR A 31 50.820 16.164 14.455 1.00 0.00 C ATOM 0 H THR A 31 48.882 14.436 16.477 1.00 0.00 H new ATOM 0 HA THR A 31 51.241 16.061 16.985 1.00 0.00 H new ATOM 0 HB THR A 31 49.855 17.710 15.569 1.00 0.00 H new ATOM 0 HG1 THR A 31 48.501 15.887 14.197 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.558 16.590 13.487 1.00 0.00 H new ATOM 0 HG22 THR A 31 51.818 16.497 14.739 1.00 0.00 H new ATOM 0 HG23 THR A 31 50.805 15.076 14.388 1.00 0.00 H new ATOM 755 N GLY A 32 48.618 16.301 18.703 1.00 0.00 N ATOM 756 CA GLY A 32 47.996 17.006 19.790 1.00 0.00 C ATOM 757 C GLY A 32 46.702 16.366 20.218 1.00 0.00 C ATOM 758 O GLY A 32 46.256 15.387 19.615 1.00 0.00 O ATOM 0 H GLY A 32 48.288 15.346 18.565 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.680 17.040 20.638 1.00 0.00 H new ATOM 0 HA3 GLY A 32 47.808 18.037 19.491 1.00 0.00 H new ATOM 762 N PHE A 33 46.106 16.903 21.258 1.00 0.00 N ATOM 763 CA PHE A 33 44.844 16.397 21.753 1.00 0.00 C ATOM 764 C PHE A 33 43.716 17.346 21.394 1.00 0.00 C ATOM 765 O PHE A 33 43.941 18.539 21.160 1.00 0.00 O ATOM 766 CB PHE A 33 44.901 16.177 23.264 1.00 0.00 C ATOM 767 CG PHE A 33 45.751 15.002 23.669 1.00 0.00 C ATOM 768 CD1 PHE A 33 45.224 13.721 23.662 1.00 0.00 C ATOM 769 CD2 PHE A 33 47.070 15.178 24.059 1.00 0.00 C ATOM 770 CE1 PHE A 33 45.992 12.638 24.036 1.00 0.00 C ATOM 771 CE2 PHE A 33 47.844 14.095 24.437 1.00 0.00 C ATOM 772 CZ PHE A 33 47.302 12.823 24.424 1.00 0.00 C ATOM 0 H PHE A 33 46.477 17.696 21.781 1.00 0.00 H new ATOM 0 HA PHE A 33 44.652 15.435 21.278 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.290 17.077 23.740 1.00 0.00 H new ATOM 0 HB3 PHE A 33 43.889 16.030 23.640 1.00 0.00 H new ATOM 0 HD1 PHE A 33 44.198 13.568 23.360 1.00 0.00 H new ATOM 0 HD2 PHE A 33 47.497 16.170 24.068 1.00 0.00 H new ATOM 0 HE1 PHE A 33 45.567 11.645 24.025 1.00 0.00 H new ATOM 0 HE2 PHE A 33 48.870 14.243 24.742 1.00 0.00 H new ATOM 0 HZ PHE A 33 47.904 11.976 24.717 1.00 0.00 H new ATOM 782 N LYS A 34 42.514 16.819 21.339 1.00 0.00 N ATOM 783 CA LYS A 34 41.353 17.592 20.958 1.00 0.00 C ATOM 784 C LYS A 34 40.238 17.415 21.979 1.00 0.00 C ATOM 785 O LYS A 34 40.145 16.382 22.630 1.00 0.00 O ATOM 786 CB LYS A 34 40.865 17.122 19.581 1.00 0.00 C ATOM 787 CG LYS A 34 39.785 17.989 18.961 1.00 0.00 C ATOM 788 CD LYS A 34 39.235 17.365 17.685 1.00 0.00 C ATOM 789 CE LYS A 34 37.983 18.089 17.196 1.00 0.00 C ATOM 790 NZ LYS A 34 38.234 19.523 16.891 1.00 0.00 N ATOM 0 H LYS A 34 42.313 15.843 21.557 1.00 0.00 H new ATOM 0 HA LYS A 34 41.626 18.647 20.917 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.717 17.085 18.902 1.00 0.00 H new ATOM 0 HB3 LYS A 34 40.486 16.104 19.673 1.00 0.00 H new ATOM 0 HG2 LYS A 34 38.975 18.131 19.677 1.00 0.00 H new ATOM 0 HG3 LYS A 34 40.191 18.976 18.739 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.999 17.393 16.908 1.00 0.00 H new ATOM 0 HD3 LYS A 34 39.002 16.316 17.864 1.00 0.00 H new ATOM 0 HE2 LYS A 34 37.606 17.592 16.302 1.00 0.00 H new ATOM 0 HE3 LYS A 34 37.204 18.014 17.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 37.376 19.947 16.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 38.486 20.025 17.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 39.016 19.601 16.209 1.00 0.00 H new ATOM 804 N MET A 35 39.411 18.427 22.125 1.00 0.00 N ATOM 805 CA MET A 35 38.250 18.338 22.995 1.00 0.00 C ATOM 806 C MET A 35 37.098 17.721 22.223 1.00 0.00 C ATOM 807 O MET A 35 36.531 18.348 21.323 1.00 0.00 O ATOM 808 CB MET A 35 37.856 19.717 23.523 1.00 0.00 C ATOM 809 CG MET A 35 37.683 20.773 22.435 1.00 0.00 C ATOM 810 SD MET A 35 37.020 22.312 23.066 1.00 0.00 S ATOM 811 CE MET A 35 38.123 22.580 24.440 1.00 0.00 C ATOM 0 H MET A 35 39.518 19.325 21.653 1.00 0.00 H new ATOM 0 HA MET A 35 38.495 17.711 23.852 1.00 0.00 H new ATOM 0 HB2 MET A 35 36.923 19.628 24.080 1.00 0.00 H new ATOM 0 HB3 MET A 35 38.617 20.056 24.226 1.00 0.00 H new ATOM 0 HG2 MET A 35 38.647 20.964 21.963 1.00 0.00 H new ATOM 0 HG3 MET A 35 37.020 20.386 21.661 1.00 0.00 H new ATOM 0 HE1 MET A 35 38.153 23.643 24.681 1.00 0.00 H new ATOM 0 HE2 MET A 35 37.768 22.021 25.306 1.00 0.00 H new ATOM 0 HE3 MET A 35 39.124 22.240 24.175 1.00 0.00 H new ATOM 821 N THR A 36 36.751 16.507 22.553 1.00 0.00 N ATOM 822 CA THR A 36 35.736 15.818 21.803 1.00 0.00 C ATOM 823 C THR A 36 34.582 15.353 22.679 1.00 0.00 C ATOM 824 O THR A 36 34.577 15.568 23.896 1.00 0.00 O ATOM 825 CB THR A 36 36.328 14.600 21.061 1.00 0.00 C ATOM 826 OG1 THR A 36 36.981 13.732 22.003 1.00 0.00 O ATOM 827 CG2 THR A 36 37.333 15.042 20.006 1.00 0.00 C ATOM 0 H THR A 36 37.151 15.978 23.328 1.00 0.00 H new ATOM 0 HA THR A 36 35.349 16.538 21.082 1.00 0.00 H new ATOM 0 HB THR A 36 35.513 14.070 20.567 1.00 0.00 H new ATOM 0 HG1 THR A 36 37.355 12.959 21.531 1.00 0.00 H new ATOM 0 HG21 THR A 36 37.736 14.166 19.497 1.00 0.00 H new ATOM 0 HG22 THR A 36 36.838 15.688 19.280 1.00 0.00 H new ATOM 0 HG23 THR A 36 38.145 15.589 20.484 1.00 0.00 H new ATOM 835 N ASP A 37 33.602 14.726 22.049 1.00 0.00 N ATOM 836 CA ASP A 37 32.462 14.172 22.751 1.00 0.00 C ATOM 837 C ASP A 37 32.610 12.665 22.835 1.00 0.00 C ATOM 838 O ASP A 37 33.545 12.101 22.263 1.00 0.00 O ATOM 839 CB ASP A 37 31.148 14.533 22.044 1.00 0.00 C ATOM 840 CG ASP A 37 30.940 13.785 20.734 1.00 0.00 C ATOM 841 OD1 ASP A 37 31.534 14.187 19.707 1.00 0.00 O ATOM 842 OD2 ASP A 37 30.158 12.804 20.724 1.00 0.00 O ATOM 0 H ASP A 37 33.577 14.588 21.039 1.00 0.00 H new ATOM 0 HA ASP A 37 32.430 14.596 23.755 1.00 0.00 H new ATOM 0 HB2 ASP A 37 30.314 14.319 22.712 1.00 0.00 H new ATOM 0 HB3 ASP A 37 31.132 15.605 21.848 1.00 0.00 H new ATOM 847 N GLY A 38 31.711 12.016 23.550 1.00 0.00 N ATOM 848 CA GLY A 38 31.773 10.570 23.687 1.00 0.00 C ATOM 849 C GLY A 38 32.779 10.145 24.735 1.00 0.00 C ATOM 850 O GLY A 38 32.438 9.458 25.700 1.00 0.00 O ATOM 0 H GLY A 38 30.935 12.460 24.041 1.00 0.00 H new ATOM 0 HA2 GLY A 38 30.788 10.188 23.954 1.00 0.00 H new ATOM 0 HA3 GLY A 38 32.038 10.125 22.728 1.00 0.00 H new ATOM 854 N SER A 39 34.014 10.546 24.540 1.00 0.00 N ATOM 855 CA SER A 39 35.075 10.253 25.475 1.00 0.00 C ATOM 856 C SER A 39 35.430 11.501 26.269 1.00 0.00 C ATOM 857 O SER A 39 35.432 11.493 27.501 1.00 0.00 O ATOM 858 CB SER A 39 36.303 9.740 24.727 1.00 0.00 C ATOM 859 OG SER A 39 36.009 8.540 24.034 1.00 0.00 O ATOM 0 H SER A 39 34.312 11.085 23.727 1.00 0.00 H new ATOM 0 HA SER A 39 34.735 9.482 26.166 1.00 0.00 H new ATOM 0 HB2 SER A 39 36.647 10.497 24.022 1.00 0.00 H new ATOM 0 HB3 SER A 39 37.117 9.568 25.431 1.00 0.00 H new ATOM 0 HG SER A 39 35.871 8.736 23.084 1.00 0.00 H new ATOM 865 N GLY A 40 35.704 12.576 25.554 1.00 0.00 N ATOM 866 CA GLY A 40 36.086 13.811 26.188 1.00 0.00 C ATOM 867 C GLY A 40 37.342 14.360 25.574 1.00 0.00 C ATOM 868 O GLY A 40 37.396 15.522 25.165 1.00 0.00 O ATOM 0 H GLY A 40 35.668 12.613 24.535 1.00 0.00 H new ATOM 0 HA2 GLY A 40 35.280 14.539 26.091 1.00 0.00 H new ATOM 0 HA3 GLY A 40 36.240 13.645 27.254 1.00 0.00 H new ATOM 872 N VAL A 41 38.352 13.524 25.500 1.00 0.00 N ATOM 873 CA VAL A 41 39.605 13.898 24.900 1.00 0.00 C ATOM 874 C VAL A 41 39.847 13.068 23.649 1.00 0.00 C ATOM 875 O VAL A 41 39.894 11.840 23.705 1.00 0.00 O ATOM 876 CB VAL A 41 40.790 13.719 25.878 1.00 0.00 C ATOM 877 CG1 VAL A 41 42.092 14.161 25.230 1.00 0.00 C ATOM 878 CG2 VAL A 41 40.547 14.494 27.166 1.00 0.00 C ATOM 0 H VAL A 41 38.325 12.568 25.854 1.00 0.00 H new ATOM 0 HA VAL A 41 39.543 14.955 24.640 1.00 0.00 H new ATOM 0 HB VAL A 41 40.870 12.660 26.124 1.00 0.00 H new ATOM 0 HG11 VAL A 41 42.913 14.027 25.934 1.00 0.00 H new ATOM 0 HG12 VAL A 41 42.277 13.561 24.339 1.00 0.00 H new ATOM 0 HG13 VAL A 41 42.021 15.212 24.951 1.00 0.00 H new ATOM 0 HG21 VAL A 41 41.392 14.354 27.840 1.00 0.00 H new ATOM 0 HG22 VAL A 41 40.436 15.554 26.937 1.00 0.00 H new ATOM 0 HG23 VAL A 41 39.638 14.129 27.644 1.00 0.00 H new ATOM 888 N GLY A 42 39.965 13.738 22.530 1.00 0.00 N ATOM 889 CA GLY A 42 40.212 13.066 21.289 1.00 0.00 C ATOM 890 C GLY A 42 41.665 13.123 20.925 1.00 0.00 C ATOM 891 O GLY A 42 42.332 14.129 21.169 1.00 0.00 O ATOM 0 H GLY A 42 39.893 14.753 22.458 1.00 0.00 H new ATOM 0 HA2 GLY A 42 39.893 12.026 21.365 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.618 13.525 20.499 1.00 0.00 H new ATOM 895 N VAL A 43 42.161 12.064 20.357 1.00 0.00 N ATOM 896 CA VAL A 43 43.548 11.990 19.977 1.00 0.00 C ATOM 897 C VAL A 43 43.702 12.368 18.507 1.00 0.00 C ATOM 898 O VAL A 43 43.275 11.626 17.624 1.00 0.00 O ATOM 899 CB VAL A 43 44.109 10.563 20.211 1.00 0.00 C ATOM 900 CG1 VAL A 43 45.618 10.540 20.057 1.00 0.00 C ATOM 901 CG2 VAL A 43 43.702 10.040 21.583 1.00 0.00 C ATOM 0 H VAL A 43 41.620 11.226 20.143 1.00 0.00 H new ATOM 0 HA VAL A 43 44.112 12.689 20.595 1.00 0.00 H new ATOM 0 HB VAL A 43 43.681 9.906 19.453 1.00 0.00 H new ATOM 0 HG11 VAL A 43 45.986 9.528 20.226 1.00 0.00 H new ATOM 0 HG12 VAL A 43 45.886 10.860 19.050 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.068 11.216 20.784 1.00 0.00 H new ATOM 0 HG21 VAL A 43 44.107 9.038 21.725 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.093 10.702 22.355 1.00 0.00 H new ATOM 0 HG23 VAL A 43 42.615 10.005 21.651 1.00 0.00 H new ATOM 911 N ILE A 44 44.278 13.539 18.248 1.00 0.00 N ATOM 912 CA ILE A 44 44.491 13.989 16.880 1.00 0.00 C ATOM 913 C ILE A 44 45.728 13.328 16.301 1.00 0.00 C ATOM 914 O ILE A 44 46.866 13.657 16.673 1.00 0.00 O ATOM 915 CB ILE A 44 44.622 15.531 16.776 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.317 16.206 17.185 1.00 0.00 C ATOM 917 CG2 ILE A 44 45.009 15.944 15.357 1.00 0.00 C ATOM 918 CD1 ILE A 44 43.384 17.719 17.146 1.00 0.00 C ATOM 0 H ILE A 44 44.603 14.188 18.964 1.00 0.00 H new ATOM 0 HA ILE A 44 43.611 13.698 16.306 1.00 0.00 H new ATOM 0 HB ILE A 44 45.410 15.854 17.457 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.519 15.868 16.524 1.00 0.00 H new ATOM 0 HG13 ILE A 44 43.052 15.887 18.193 1.00 0.00 H new ATOM 0 HG21 ILE A 44 45.096 17.029 15.305 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.965 15.490 15.094 1.00 0.00 H new ATOM 0 HG23 ILE A 44 44.243 15.607 14.658 1.00 0.00 H new ATOM 0 HD11 ILE A 44 42.422 18.134 17.448 1.00 0.00 H new ATOM 0 HD12 ILE A 44 44.160 18.067 17.828 1.00 0.00 H new ATOM 0 HD13 ILE A 44 43.618 18.047 16.133 1.00 0.00 H new ATOM 930 N VAL A 45 45.506 12.391 15.411 1.00 0.00 N ATOM 931 CA VAL A 45 46.582 11.653 14.800 1.00 0.00 C ATOM 932 C VAL A 45 46.813 12.125 13.376 1.00 0.00 C ATOM 933 O VAL A 45 45.885 12.160 12.565 1.00 0.00 O ATOM 934 CB VAL A 45 46.274 10.143 14.781 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.507 9.347 14.388 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.735 9.683 16.126 1.00 0.00 C ATOM 0 H VAL A 45 44.576 12.120 15.091 1.00 0.00 H new ATOM 0 HA VAL A 45 47.479 11.830 15.394 1.00 0.00 H new ATOM 0 HB VAL A 45 45.503 9.963 14.032 1.00 0.00 H new ATOM 0 HG11 VAL A 45 47.267 8.284 14.381 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.835 9.651 13.394 1.00 0.00 H new ATOM 0 HG13 VAL A 45 48.305 9.534 15.107 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.525 8.614 16.088 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.475 9.880 16.901 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.817 10.225 16.355 1.00 0.00 H new ATOM 946 N THR A 46 48.034 12.503 13.079 1.00 0.00 N ATOM 947 CA THR A 46 48.396 12.920 11.749 1.00 0.00 C ATOM 948 C THR A 46 49.136 11.789 11.044 1.00 0.00 C ATOM 949 O THR A 46 50.205 11.356 11.483 1.00 0.00 O ATOM 950 CB THR A 46 49.259 14.197 11.776 1.00 0.00 C ATOM 951 OG1 THR A 46 48.536 15.244 12.452 1.00 0.00 O ATOM 952 CG2 THR A 46 49.601 14.654 10.363 1.00 0.00 C ATOM 0 H THR A 46 48.801 12.529 13.751 1.00 0.00 H new ATOM 0 HA THR A 46 47.484 13.153 11.199 1.00 0.00 H new ATOM 0 HB THR A 46 50.187 13.977 12.303 1.00 0.00 H new ATOM 0 HG1 THR A 46 48.019 15.759 11.798 1.00 0.00 H new ATOM 0 HG21 THR A 46 50.210 15.557 10.410 1.00 0.00 H new ATOM 0 HG22 THR A 46 50.156 13.868 9.851 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.682 14.865 9.816 1.00 0.00 H new ATOM 960 N PHE A 47 48.553 11.306 9.966 1.00 0.00 N ATOM 961 CA PHE A 47 49.101 10.170 9.246 1.00 0.00 C ATOM 962 C PHE A 47 49.959 10.610 8.068 1.00 0.00 C ATOM 963 O PHE A 47 50.160 11.807 7.838 1.00 0.00 O ATOM 964 CB PHE A 47 47.976 9.269 8.751 1.00 0.00 C ATOM 965 CG PHE A 47 47.074 8.762 9.836 1.00 0.00 C ATOM 966 CD1 PHE A 47 47.415 7.638 10.567 1.00 0.00 C ATOM 967 CD2 PHE A 47 45.883 9.405 10.121 1.00 0.00 C ATOM 968 CE1 PHE A 47 46.585 7.167 11.562 1.00 0.00 C ATOM 969 CE2 PHE A 47 45.049 8.937 11.113 1.00 0.00 C ATOM 970 CZ PHE A 47 45.400 7.815 11.834 1.00 0.00 C ATOM 0 H PHE A 47 47.694 11.684 9.566 1.00 0.00 H new ATOM 0 HA PHE A 47 49.736 9.618 9.939 1.00 0.00 H new ATOM 0 HB2 PHE A 47 47.378 9.819 8.024 1.00 0.00 H new ATOM 0 HB3 PHE A 47 48.411 8.417 8.228 1.00 0.00 H new ATOM 0 HD1 PHE A 47 48.341 7.124 10.356 1.00 0.00 H new ATOM 0 HD2 PHE A 47 45.603 10.284 9.559 1.00 0.00 H new ATOM 0 HE1 PHE A 47 46.864 6.290 12.128 1.00 0.00 H new ATOM 0 HE2 PHE A 47 44.122 9.448 11.326 1.00 0.00 H new ATOM 0 HZ PHE A 47 44.747 7.445 12.611 1.00 0.00 H new ATOM 980 N ASP A 48 50.440 9.622 7.312 1.00 0.00 N ATOM 981 CA ASP A 48 51.284 9.856 6.139 1.00 0.00 C ATOM 982 C ASP A 48 50.501 10.549 5.027 1.00 0.00 C ATOM 983 O ASP A 48 51.080 11.065 4.078 1.00 0.00 O ATOM 984 CB ASP A 48 51.858 8.537 5.620 1.00 0.00 C ATOM 985 CG ASP A 48 50.804 7.631 5.014 1.00 0.00 C ATOM 986 OD1 ASP A 48 50.027 7.015 5.777 1.00 0.00 O ATOM 987 OD2 ASP A 48 50.752 7.519 3.771 1.00 0.00 O ATOM 0 H ASP A 48 50.255 8.636 7.496 1.00 0.00 H new ATOM 0 HA ASP A 48 52.103 10.508 6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 48 52.621 8.749 4.871 1.00 0.00 H new ATOM 0 HB3 ASP A 48 52.351 8.014 6.439 1.00 0.00 H new ATOM 992 N ASP A 49 49.177 10.565 5.161 1.00 0.00 N ATOM 993 CA ASP A 49 48.303 11.235 4.189 1.00 0.00 C ATOM 994 C ASP A 49 48.386 12.748 4.341 1.00 0.00 C ATOM 995 O ASP A 49 47.687 13.485 3.649 1.00 0.00 O ATOM 996 CB ASP A 49 46.842 10.794 4.370 1.00 0.00 C ATOM 997 CG ASP A 49 46.568 9.402 3.851 1.00 0.00 C ATOM 998 OD1 ASP A 49 46.267 9.261 2.648 1.00 0.00 O ATOM 999 OD2 ASP A 49 46.639 8.443 4.642 1.00 0.00 O ATOM 0 H ASP A 49 48.681 10.122 5.934 1.00 0.00 H new ATOM 0 HA ASP A 49 48.644 10.951 3.193 1.00 0.00 H new ATOM 0 HB2 ASP A 49 46.586 10.836 5.429 1.00 0.00 H new ATOM 0 HB3 ASP A 49 46.190 11.501 3.856 1.00 0.00 H new ATOM 1004 N ARG A 50 49.232 13.199 5.281 1.00 0.00 N ATOM 1005 CA ARG A 50 49.418 14.625 5.576 1.00 0.00 C ATOM 1006 C ARG A 50 48.160 15.229 6.177 1.00 0.00 C ATOM 1007 O ARG A 50 48.046 16.444 6.323 1.00 0.00 O ATOM 1008 CB ARG A 50 49.851 15.404 4.331 1.00 0.00 C ATOM 1009 CG ARG A 50 51.296 15.170 3.928 1.00 0.00 C ATOM 1010 CD ARG A 50 51.653 15.960 2.681 1.00 0.00 C ATOM 1011 NE ARG A 50 51.207 17.353 2.772 1.00 0.00 N ATOM 1012 CZ ARG A 50 52.011 18.407 2.910 1.00 0.00 C ATOM 1013 NH1 ARG A 50 53.328 18.245 3.017 1.00 0.00 N ATOM 1014 NH2 ARG A 50 51.497 19.623 2.953 1.00 0.00 N ATOM 0 H ARG A 50 49.806 12.583 5.857 1.00 0.00 H new ATOM 0 HA ARG A 50 50.218 14.702 6.312 1.00 0.00 H new ATOM 0 HB2 ARG A 50 49.203 15.128 3.499 1.00 0.00 H new ATOM 0 HB3 ARG A 50 49.703 16.469 4.511 1.00 0.00 H new ATOM 0 HG2 ARG A 50 51.956 15.459 4.746 1.00 0.00 H new ATOM 0 HG3 ARG A 50 51.459 14.107 3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 50 52.732 15.933 2.530 1.00 0.00 H new ATOM 0 HD3 ARG A 50 51.198 15.489 1.810 1.00 0.00 H new ATOM 0 HE ARG A 50 50.203 17.530 2.726 1.00 0.00 H new ATOM 0 HH11 ARG A 50 53.730 17.308 2.994 1.00 0.00 H new ATOM 0 HH12 ARG A 50 53.935 19.058 3.122 1.00 0.00 H new ATOM 0 HH21 ARG A 50 50.488 19.753 2.881 1.00 0.00 H new ATOM 0 HH22 ARG A 50 52.109 20.432 3.059 1.00 0.00 H new ATOM 1028 N SER A 51 47.229 14.375 6.527 1.00 0.00 N ATOM 1029 CA SER A 51 45.994 14.796 7.122 1.00 0.00 C ATOM 1030 C SER A 51 45.902 14.290 8.543 1.00 0.00 C ATOM 1031 O SER A 51 46.509 13.267 8.893 1.00 0.00 O ATOM 1032 CB SER A 51 44.817 14.280 6.311 1.00 0.00 C ATOM 1033 OG SER A 51 44.899 14.711 4.961 1.00 0.00 O ATOM 0 H SER A 51 47.312 13.366 6.405 1.00 0.00 H new ATOM 0 HA SER A 51 45.965 15.886 7.131 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.796 13.191 6.348 1.00 0.00 H new ATOM 0 HB3 SER A 51 43.885 14.632 6.753 1.00 0.00 H new ATOM 0 HG SER A 51 44.131 14.365 4.460 1.00 0.00 H new ATOM 1039 N SER A 52 45.165 14.998 9.356 1.00 0.00 N ATOM 1040 CA SER A 52 44.981 14.613 10.721 1.00 0.00 C ATOM 1041 C SER A 52 43.563 14.129 10.937 1.00 0.00 C ATOM 1042 O SER A 52 42.629 14.581 10.268 1.00 0.00 O ATOM 1043 CB SER A 52 45.263 15.784 11.631 1.00 0.00 C ATOM 1044 OG SER A 52 46.466 16.440 11.257 1.00 0.00 O ATOM 0 H SER A 52 44.679 15.854 9.088 1.00 0.00 H new ATOM 0 HA SER A 52 45.674 13.804 10.954 1.00 0.00 H new ATOM 0 HB2 SER A 52 44.432 16.489 11.591 1.00 0.00 H new ATOM 0 HB3 SER A 52 45.338 15.438 12.662 1.00 0.00 H new ATOM 0 HG SER A 52 46.627 17.196 11.860 1.00 0.00 H new ATOM 1050 N THR A 53 43.407 13.204 11.835 1.00 0.00 N ATOM 1051 CA THR A 53 42.115 12.676 12.167 1.00 0.00 C ATOM 1052 C THR A 53 42.072 12.371 13.657 1.00 0.00 C ATOM 1053 O THR A 53 43.035 11.840 14.210 1.00 0.00 O ATOM 1054 CB THR A 53 41.828 11.398 11.349 1.00 0.00 C ATOM 1055 OG1 THR A 53 42.040 11.668 9.949 1.00 0.00 O ATOM 1056 CG2 THR A 53 40.396 10.923 11.559 1.00 0.00 C ATOM 0 H THR A 53 44.176 12.791 12.362 1.00 0.00 H new ATOM 0 HA THR A 53 41.349 13.412 11.924 1.00 0.00 H new ATOM 0 HB THR A 53 42.505 10.614 11.688 1.00 0.00 H new ATOM 0 HG1 THR A 53 41.860 10.857 9.429 1.00 0.00 H new ATOM 0 HG21 THR A 53 40.222 10.022 10.971 1.00 0.00 H new ATOM 0 HG22 THR A 53 40.236 10.704 12.615 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.704 11.703 11.241 1.00 0.00 H new ATOM 1064 N TRP A 54 40.988 12.737 14.308 1.00 0.00 N ATOM 1065 CA TRP A 54 40.865 12.511 15.733 1.00 0.00 C ATOM 1066 C TRP A 54 40.176 11.188 16.013 1.00 0.00 C ATOM 1067 O TRP A 54 39.244 10.801 15.311 1.00 0.00 O ATOM 1068 CB TRP A 54 40.116 13.672 16.415 1.00 0.00 C ATOM 1069 CG TRP A 54 38.712 13.876 15.921 1.00 0.00 C ATOM 1070 CD1 TRP A 54 38.322 14.624 14.849 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.514 13.327 16.486 1.00 0.00 C ATOM 1072 NE1 TRP A 54 36.958 14.570 14.709 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.439 13.781 15.702 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.246 12.493 17.578 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 35.120 13.431 15.973 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 35.937 12.148 17.845 1.00 0.00 C ATOM 1077 CH2 TRP A 54 34.888 12.616 17.046 1.00 0.00 C ATOM 0 H TRP A 54 40.183 13.190 13.876 1.00 0.00 H new ATOM 0 HA TRP A 54 41.870 12.466 16.153 1.00 0.00 H new ATOM 0 HB2 TRP A 54 40.088 13.490 17.489 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.680 14.592 16.262 1.00 0.00 H new ATOM 0 HD1 TRP A 54 38.989 15.178 14.205 1.00 0.00 H new ATOM 0 HE1 TRP A 54 36.418 15.041 13.983 1.00 0.00 H new ATOM 0 HE3 TRP A 54 38.049 12.126 18.200 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 34.308 13.790 15.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 35.718 11.506 18.685 1.00 0.00 H new ATOM 0 HH2 TRP A 54 33.874 12.328 17.282 1.00 0.00 H new ATOM 1088 N PHE A 55 40.665 10.493 17.014 1.00 0.00 N ATOM 1089 CA PHE A 55 40.092 9.227 17.434 1.00 0.00 C ATOM 1090 C PHE A 55 39.905 9.238 18.935 1.00 0.00 C ATOM 1091 O PHE A 55 40.440 10.114 19.623 1.00 0.00 O ATOM 1092 CB PHE A 55 41.007 8.062 17.037 1.00 0.00 C ATOM 1093 CG PHE A 55 41.220 7.934 15.558 1.00 0.00 C ATOM 1094 CD1 PHE A 55 40.356 7.182 14.784 1.00 0.00 C ATOM 1095 CD2 PHE A 55 42.283 8.570 14.944 1.00 0.00 C ATOM 1096 CE1 PHE A 55 40.550 7.067 13.424 1.00 0.00 C ATOM 1097 CE2 PHE A 55 42.481 8.460 13.587 1.00 0.00 C ATOM 1098 CZ PHE A 55 41.612 7.707 12.825 1.00 0.00 C ATOM 0 H PHE A 55 41.473 10.787 17.563 1.00 0.00 H new ATOM 0 HA PHE A 55 39.129 9.094 16.941 1.00 0.00 H new ATOM 0 HB2 PHE A 55 41.974 8.190 17.524 1.00 0.00 H new ATOM 0 HB3 PHE A 55 40.580 7.133 17.415 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.521 6.680 15.249 1.00 0.00 H new ATOM 0 HD2 PHE A 55 42.966 9.160 15.537 1.00 0.00 H new ATOM 0 HE1 PHE A 55 39.870 6.476 12.829 1.00 0.00 H new ATOM 0 HE2 PHE A 55 43.315 8.962 13.119 1.00 0.00 H new ATOM 0 HZ PHE A 55 41.764 7.619 11.759 1.00 0.00 H new ATOM 1108 N PHE A 56 39.153 8.292 19.449 1.00 0.00 N ATOM 1109 CA PHE A 56 38.939 8.216 20.881 1.00 0.00 C ATOM 1110 C PHE A 56 40.163 7.626 21.586 1.00 0.00 C ATOM 1111 O PHE A 56 41.055 7.064 20.947 1.00 0.00 O ATOM 1112 CB PHE A 56 37.672 7.425 21.220 1.00 0.00 C ATOM 1113 CG PHE A 56 36.416 8.014 20.631 1.00 0.00 C ATOM 1114 CD1 PHE A 56 35.966 9.267 21.030 1.00 0.00 C ATOM 1115 CD2 PHE A 56 35.691 7.322 19.677 1.00 0.00 C ATOM 1116 CE1 PHE A 56 34.817 9.809 20.488 1.00 0.00 C ATOM 1117 CE2 PHE A 56 34.543 7.861 19.131 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.105 9.105 19.537 1.00 0.00 C ATOM 0 H PHE A 56 38.682 7.569 18.905 1.00 0.00 H new ATOM 0 HA PHE A 56 38.795 9.233 21.247 1.00 0.00 H new ATOM 0 HB2 PHE A 56 37.786 6.402 20.862 1.00 0.00 H new ATOM 0 HB3 PHE A 56 37.565 7.373 22.304 1.00 0.00 H new ATOM 0 HD1 PHE A 56 36.521 9.823 21.772 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.027 6.348 19.355 1.00 0.00 H new ATOM 0 HE1 PHE A 56 34.476 10.783 20.808 1.00 0.00 H new ATOM 0 HE2 PHE A 56 33.988 7.309 18.387 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.207 9.527 19.112 1.00 0.00 H new ATOM 1128 N GLU A 57 40.193 7.754 22.899 1.00 0.00 N ATOM 1129 CA GLU A 57 41.332 7.309 23.707 1.00 0.00 C ATOM 1130 C GLU A 57 41.551 5.806 23.581 1.00 0.00 C ATOM 1131 O GLU A 57 42.666 5.345 23.352 1.00 0.00 O ATOM 1132 CB GLU A 57 41.088 7.648 25.167 1.00 0.00 C ATOM 1133 CG GLU A 57 40.454 9.005 25.387 1.00 0.00 C ATOM 1134 CD GLU A 57 39.701 9.082 26.698 1.00 0.00 C ATOM 1135 OE1 GLU A 57 38.504 8.720 26.713 1.00 0.00 O ATOM 1136 OE2 GLU A 57 40.296 9.483 27.717 1.00 0.00 O ATOM 0 H GLU A 57 39.435 8.167 23.442 1.00 0.00 H new ATOM 0 HA GLU A 57 42.221 7.823 23.341 1.00 0.00 H new ATOM 0 HB2 GLU A 57 40.446 6.883 25.604 1.00 0.00 H new ATOM 0 HB3 GLU A 57 42.037 7.611 25.701 1.00 0.00 H new ATOM 0 HG2 GLU A 57 41.228 9.772 25.370 1.00 0.00 H new ATOM 0 HG3 GLU A 57 39.772 9.222 24.565 1.00 0.00 H new ATOM 1143 N ASP A 58 40.478 5.051 23.730 1.00 0.00 N ATOM 1144 CA ASP A 58 40.545 3.589 23.686 1.00 0.00 C ATOM 1145 C ASP A 58 40.450 3.077 22.263 1.00 0.00 C ATOM 1146 O ASP A 58 40.324 1.876 22.025 1.00 0.00 O ATOM 1147 CB ASP A 58 39.416 2.979 24.518 1.00 0.00 C ATOM 1148 CG ASP A 58 39.542 3.281 25.986 1.00 0.00 C ATOM 1149 OD1 ASP A 58 39.176 4.402 26.405 1.00 0.00 O ATOM 1150 OD2 ASP A 58 40.003 2.397 26.737 1.00 0.00 O ATOM 0 H ASP A 58 39.541 5.423 23.884 1.00 0.00 H new ATOM 0 HA ASP A 58 41.508 3.291 24.101 1.00 0.00 H new ATOM 0 HB2 ASP A 58 38.460 3.356 24.155 1.00 0.00 H new ATOM 0 HB3 ASP A 58 39.408 1.899 24.374 1.00 0.00 H new ATOM 1155 N GLU A 59 40.521 3.986 21.329 1.00 0.00 N ATOM 1156 CA GLU A 59 40.360 3.669 19.930 1.00 0.00 C ATOM 1157 C GLU A 59 41.713 3.397 19.273 1.00 0.00 C ATOM 1158 O GLU A 59 41.805 2.696 18.252 1.00 0.00 O ATOM 1159 CB GLU A 59 39.648 4.844 19.273 1.00 0.00 C ATOM 1160 CG GLU A 59 39.111 4.606 17.892 1.00 0.00 C ATOM 1161 CD GLU A 59 37.880 5.443 17.649 1.00 0.00 C ATOM 1162 OE1 GLU A 59 38.027 6.650 17.373 1.00 0.00 O ATOM 1163 OE2 GLU A 59 36.760 4.904 17.778 1.00 0.00 O ATOM 0 H GLU A 59 40.693 4.974 21.515 1.00 0.00 H new ATOM 0 HA GLU A 59 39.769 2.761 19.809 1.00 0.00 H new ATOM 0 HB2 GLU A 59 38.820 5.145 19.915 1.00 0.00 H new ATOM 0 HB3 GLU A 59 40.341 5.684 19.231 1.00 0.00 H new ATOM 0 HG2 GLU A 59 39.874 4.849 17.153 1.00 0.00 H new ATOM 0 HG3 GLU A 59 38.870 3.550 17.767 1.00 0.00 H new ATOM 1170 N VAL A 60 42.764 3.913 19.882 1.00 0.00 N ATOM 1171 CA VAL A 60 44.098 3.760 19.345 1.00 0.00 C ATOM 1172 C VAL A 60 45.049 3.138 20.364 1.00 0.00 C ATOM 1173 O VAL A 60 44.861 3.276 21.577 1.00 0.00 O ATOM 1174 CB VAL A 60 44.680 5.119 18.873 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.866 5.687 17.721 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.741 6.116 20.025 1.00 0.00 C ATOM 0 H VAL A 60 42.717 4.443 20.752 1.00 0.00 H new ATOM 0 HA VAL A 60 44.010 3.091 18.489 1.00 0.00 H new ATOM 0 HB VAL A 60 45.696 4.942 18.520 1.00 0.00 H new ATOM 0 HG11 VAL A 60 44.294 6.639 17.408 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.884 4.989 16.884 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.836 5.840 18.044 1.00 0.00 H new ATOM 0 HG21 VAL A 60 45.152 7.060 19.668 1.00 0.00 H new ATOM 0 HG22 VAL A 60 43.737 6.282 20.416 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.377 5.719 20.816 1.00 0.00 H new ATOM 1186 N GLU A 61 46.049 2.438 19.862 1.00 0.00 N ATOM 1187 CA GLU A 61 47.085 1.848 20.694 1.00 0.00 C ATOM 1188 C GLU A 61 48.356 2.671 20.541 1.00 0.00 C ATOM 1189 O GLU A 61 48.546 3.326 19.518 1.00 0.00 O ATOM 1190 CB GLU A 61 47.357 0.401 20.271 1.00 0.00 C ATOM 1191 CG GLU A 61 47.900 0.278 18.857 1.00 0.00 C ATOM 1192 CD GLU A 61 48.277 -1.131 18.483 1.00 0.00 C ATOM 1193 OE1 GLU A 61 49.419 -1.540 18.772 1.00 0.00 O ATOM 1194 OE2 GLU A 61 47.446 -1.832 17.883 1.00 0.00 O ATOM 0 H GLU A 61 46.167 2.261 18.864 1.00 0.00 H new ATOM 0 HA GLU A 61 46.756 1.846 21.733 1.00 0.00 H new ATOM 0 HB2 GLU A 61 48.069 -0.045 20.966 1.00 0.00 H new ATOM 0 HB3 GLU A 61 46.433 -0.172 20.349 1.00 0.00 H new ATOM 0 HG2 GLU A 61 47.151 0.645 18.155 1.00 0.00 H new ATOM 0 HG3 GLU A 61 48.775 0.920 18.754 1.00 0.00 H new ATOM 1201 N VAL A 62 49.219 2.643 21.532 1.00 0.00 N ATOM 1202 CA VAL A 62 50.452 3.419 21.469 1.00 0.00 C ATOM 1203 C VAL A 62 51.542 2.655 20.720 1.00 0.00 C ATOM 1204 O VAL A 62 51.743 1.455 20.945 1.00 0.00 O ATOM 1205 CB VAL A 62 50.961 3.800 22.875 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.113 4.795 22.778 1.00 0.00 C ATOM 1207 CG2 VAL A 62 49.829 4.372 23.711 1.00 0.00 C ATOM 0 H VAL A 62 49.098 2.099 22.386 1.00 0.00 H new ATOM 0 HA VAL A 62 50.221 4.336 20.927 1.00 0.00 H new ATOM 0 HB VAL A 62 51.330 2.898 23.364 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.458 5.051 23.780 1.00 0.00 H new ATOM 0 HG12 VAL A 62 52.933 4.349 22.215 1.00 0.00 H new ATOM 0 HG13 VAL A 62 51.773 5.697 22.270 1.00 0.00 H new ATOM 0 HG21 VAL A 62 50.204 4.636 24.700 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.431 5.263 23.224 1.00 0.00 H new ATOM 0 HG23 VAL A 62 49.038 3.629 23.810 1.00 0.00 H new ATOM 1217 N VAL A 63 52.229 3.348 19.821 1.00 0.00 N ATOM 1218 CA VAL A 63 53.299 2.759 19.027 1.00 0.00 C ATOM 1219 C VAL A 63 54.515 3.681 19.032 1.00 0.00 C ATOM 1220 O VAL A 63 54.498 4.746 18.418 1.00 0.00 O ATOM 1221 CB VAL A 63 52.859 2.532 17.554 1.00 0.00 C ATOM 1222 CG1 VAL A 63 53.937 1.800 16.772 1.00 0.00 C ATOM 1223 CG2 VAL A 63 51.543 1.776 17.483 1.00 0.00 C ATOM 0 H VAL A 63 52.060 4.334 19.622 1.00 0.00 H new ATOM 0 HA VAL A 63 53.546 1.796 19.473 1.00 0.00 H new ATOM 0 HB VAL A 63 52.710 3.512 17.100 1.00 0.00 H new ATOM 0 HG11 VAL A 63 53.605 1.653 15.744 1.00 0.00 H new ATOM 0 HG12 VAL A 63 54.854 2.390 16.776 1.00 0.00 H new ATOM 0 HG13 VAL A 63 54.127 0.831 17.234 1.00 0.00 H new ATOM 0 HG21 VAL A 63 51.262 1.633 16.440 1.00 0.00 H new ATOM 0 HG22 VAL A 63 51.655 0.805 17.965 1.00 0.00 H new ATOM 0 HG23 VAL A 63 50.767 2.347 17.993 1.00 0.00 H new ATOM 1233 N GLY A 64 55.557 3.281 19.715 1.00 0.00 N ATOM 1234 CA GLY A 64 56.747 4.093 19.767 1.00 0.00 C ATOM 1235 C GLY A 64 57.582 3.796 20.987 1.00 0.00 C ATOM 1236 O GLY A 64 57.007 3.367 22.011 1.00 0.00 O ATOM 1237 OXT GLY A 64 58.804 3.993 20.939 1.00 0.00 O ATOM 0 H GLY A 64 55.607 2.407 20.238 1.00 0.00 H new ATOM 0 HA2 GLY A 64 57.342 3.921 18.870 1.00 0.00 H new ATOM 0 HA3 GLY A 64 56.467 5.146 19.767 1.00 0.00 H new TER 1241 GLY A 64