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 -129:sc= 1.24 USER MOD Set 1.2: A 46 THR OG1 : rot -160:sc= 1.03 USER MOD Set 2.1: A 36 THR OG1 : rot 40:sc= 1.09 USER MOD Set 2.2: A 39 SER OG : rot 66:sc= -0.934! USER MOD Single : A 1 MET CE :methyl 169:sc= -0.873 (180deg=-1.16) USER MOD Single : A 5 GLN :FLIP amide:sc= -0.082 F(o=-1.2,f=-0.082) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -7 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A -9 HIS : no HE2:sc= 0.0643 K(o=0.064,f=-1.6) USER MOD Single : A 10 CYS SG : rot -23:sc= 0.0355 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 22 GLN : amide:sc= 0.608 K(o=0.61,f=-0.39) USER MOD Single : A 23 LYS NZ :NH3+ -114:sc= 0.268 (180deg=-0.138) USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 168:sc= -0.0167 (180deg=-0.176) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 40:sc= 0.0484 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A -10 SER OG : rot 180:sc= 0 USER MOD Single : A -12 SER OG : rot 47:sc= 0.104 USER MOD Single : A -14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -14 MET N :NH3+ -169:sc= 0 (180deg=-0.118) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -14 54.073 32.899 37.363 1.00 0.00 N ATOM 2 CA MET A -14 52.661 32.894 37.794 1.00 0.00 C ATOM 3 C MET A -14 51.764 33.404 36.679 1.00 0.00 C ATOM 4 O MET A -14 51.458 34.599 36.607 1.00 0.00 O ATOM 5 CB MET A -14 52.463 33.754 39.053 1.00 0.00 C ATOM 6 CG MET A -14 53.245 33.277 40.265 1.00 0.00 C ATOM 7 SD MET A -14 53.001 34.332 41.712 1.00 0.00 S ATOM 8 CE MET A -14 54.030 33.494 42.919 1.00 0.00 C ATOM 0 H1 MET A -14 54.649 32.380 38.056 1.00 0.00 H new ATOM 0 H2 MET A -14 54.154 32.441 36.433 1.00 0.00 H new ATOM 0 H3 MET A -14 54.412 33.880 37.297 1.00 0.00 H new ATOM 0 HA MET A -14 52.389 31.865 38.031 1.00 0.00 H new ATOM 0 HB2 MET A -14 52.755 34.780 38.828 1.00 0.00 H new ATOM 0 HB3 MET A -14 51.402 33.772 39.304 1.00 0.00 H new ATOM 0 HG2 MET A -14 52.944 32.258 40.508 1.00 0.00 H new ATOM 0 HG3 MET A -14 54.306 33.246 40.018 1.00 0.00 H new ATOM 0 HE1 MET A -14 53.984 34.027 43.869 1.00 0.00 H new ATOM 0 HE2 MET A -14 53.671 32.474 43.058 1.00 0.00 H new ATOM 0 HE3 MET A -14 55.061 33.471 42.565 1.00 0.00 H new ATOM 20 N ALA A -13 51.367 32.510 35.793 1.00 0.00 N ATOM 21 CA ALA A -13 50.512 32.874 34.680 1.00 0.00 C ATOM 22 C ALA A -13 49.273 32.001 34.648 1.00 0.00 C ATOM 23 O ALA A -13 49.254 30.907 35.221 1.00 0.00 O ATOM 24 CB ALA A -13 51.270 32.768 33.365 1.00 0.00 C ATOM 0 H ALA A -13 51.624 31.523 35.823 1.00 0.00 H new ATOM 0 HA ALA A -13 50.200 33.909 34.816 1.00 0.00 H new ATOM 0 HB1 ALA A -13 50.611 33.045 32.542 1.00 0.00 H new ATOM 0 HB2 ALA A -13 52.128 33.439 33.385 1.00 0.00 H new ATOM 0 HB3 ALA A -13 51.614 31.743 33.225 1.00 0.00 H new ATOM 30 N SER A -12 48.246 32.483 33.985 1.00 0.00 N ATOM 31 CA SER A -12 47.005 31.758 33.862 1.00 0.00 C ATOM 32 C SER A -12 47.132 30.626 32.838 1.00 0.00 C ATOM 33 O SER A -12 47.117 30.861 31.624 1.00 0.00 O ATOM 34 CB SER A -12 45.886 32.726 33.477 1.00 0.00 C ATOM 35 OG SER A -12 46.323 33.620 32.458 1.00 0.00 O ATOM 0 H SER A -12 48.249 33.389 33.516 1.00 0.00 H new ATOM 0 HA SER A -12 46.762 31.302 34.822 1.00 0.00 H new ATOM 0 HB2 SER A -12 45.018 32.166 33.129 1.00 0.00 H new ATOM 0 HB3 SER A -12 45.570 33.292 34.353 1.00 0.00 H new ATOM 0 HG SER A -12 46.784 33.115 31.756 1.00 0.00 H new ATOM 41 N TRP A -11 47.285 29.405 33.340 1.00 0.00 N ATOM 42 CA TRP A -11 47.426 28.225 32.491 1.00 0.00 C ATOM 43 C TRP A -11 46.217 28.096 31.557 1.00 0.00 C ATOM 44 O TRP A -11 45.076 28.326 31.967 1.00 0.00 O ATOM 45 CB TRP A -11 47.556 26.958 33.359 1.00 0.00 C ATOM 46 CG TRP A -11 46.270 26.571 34.026 1.00 0.00 C ATOM 47 CD1 TRP A -11 45.664 27.205 35.070 1.00 0.00 C ATOM 48 CD2 TRP A -11 45.425 25.471 33.680 1.00 0.00 C ATOM 49 NE1 TRP A -11 44.488 26.575 35.380 1.00 0.00 N ATOM 50 CE2 TRP A -11 44.322 25.506 34.545 1.00 0.00 C ATOM 51 CE3 TRP A -11 45.495 24.463 32.719 1.00 0.00 C ATOM 52 CZ2 TRP A -11 43.296 24.575 34.475 1.00 0.00 C ATOM 53 CZ3 TRP A -11 44.476 23.536 32.656 1.00 0.00 C ATOM 54 CH2 TRP A -11 43.388 23.600 33.528 1.00 0.00 C ATOM 0 H TRP A -11 47.315 29.205 34.340 1.00 0.00 H new ATOM 0 HA TRP A -11 48.328 28.336 31.888 1.00 0.00 H new ATOM 0 HB2 TRP A -11 47.899 26.132 32.737 1.00 0.00 H new ATOM 0 HB3 TRP A -11 48.319 27.122 34.120 1.00 0.00 H new ATOM 0 HD1 TRP A -11 46.054 28.075 35.577 1.00 0.00 H new ATOM 0 HE1 TRP A -11 43.840 26.858 36.116 1.00 0.00 H new ATOM 0 HE3 TRP A -11 46.331 24.409 32.037 1.00 0.00 H new ATOM 0 HZ2 TRP A -11 42.453 24.622 35.148 1.00 0.00 H new ATOM 0 HZ3 TRP A -11 44.521 22.747 31.920 1.00 0.00 H new ATOM 0 HH2 TRP A -11 42.603 22.862 33.450 1.00 0.00 H new ATOM 65 N SER A -10 46.463 27.760 30.315 1.00 0.00 N ATOM 66 CA SER A -10 45.384 27.602 29.363 1.00 0.00 C ATOM 67 C SER A -10 45.654 26.426 28.433 1.00 0.00 C ATOM 68 O SER A -10 46.417 26.543 27.473 1.00 0.00 O ATOM 69 CB SER A -10 45.195 28.889 28.553 1.00 0.00 C ATOM 70 OG SER A -10 45.023 30.012 29.409 1.00 0.00 O ATOM 0 H SER A -10 47.395 27.591 29.938 1.00 0.00 H new ATOM 0 HA SER A -10 44.467 27.399 29.916 1.00 0.00 H new ATOM 0 HB2 SER A -10 46.060 29.048 27.909 1.00 0.00 H new ATOM 0 HB3 SER A -10 44.327 28.788 27.901 1.00 0.00 H new ATOM 0 HG SER A -10 44.906 30.821 28.868 1.00 0.00 H new ATOM 76 N HIS A -9 45.046 25.297 28.747 1.00 0.00 N ATOM 77 CA HIS A -9 45.181 24.073 27.960 1.00 0.00 C ATOM 78 C HIS A -9 44.313 22.998 28.574 1.00 0.00 C ATOM 79 O HIS A -9 44.028 23.053 29.764 1.00 0.00 O ATOM 80 CB HIS A -9 46.654 23.586 27.909 1.00 0.00 C ATOM 81 CG HIS A -9 47.234 23.189 29.244 1.00 0.00 C ATOM 82 ND1 HIS A -9 47.065 21.935 29.808 1.00 0.00 N ATOM 83 CD2 HIS A -9 47.980 23.893 30.128 1.00 0.00 C ATOM 84 CE1 HIS A -9 47.676 21.893 30.973 1.00 0.00 C ATOM 85 NE2 HIS A -9 48.242 23.065 31.191 1.00 0.00 N ATOM 0 H HIS A -9 44.439 25.197 29.560 1.00 0.00 H new ATOM 0 HA HIS A -9 44.864 24.283 26.938 1.00 0.00 H new ATOM 0 HB2 HIS A -9 46.717 22.733 27.233 1.00 0.00 H new ATOM 0 HB3 HIS A -9 47.269 24.378 27.482 1.00 0.00 H new ATOM 0 HD1 HIS A -9 46.547 21.164 29.386 1.00 0.00 H new ATOM 0 HD2 HIS A -9 48.308 24.916 30.017 1.00 0.00 H new ATOM 0 HE1 HIS A -9 47.709 21.043 31.638 1.00 0.00 H new ATOM 93 N PRO A -8 43.866 22.017 27.789 1.00 0.00 N ATOM 94 CA PRO A -8 43.085 20.909 28.320 1.00 0.00 C ATOM 95 C PRO A -8 43.902 20.121 29.335 1.00 0.00 C ATOM 96 O PRO A -8 45.028 19.705 29.046 1.00 0.00 O ATOM 97 CB PRO A -8 42.785 20.043 27.087 1.00 0.00 C ATOM 98 CG PRO A -8 42.999 20.942 25.921 1.00 0.00 C ATOM 99 CD PRO A -8 44.066 21.908 26.336 1.00 0.00 C ATOM 0 HA PRO A -8 42.182 21.238 28.835 1.00 0.00 H new ATOM 0 HB2 PRO A -8 43.445 19.177 27.043 1.00 0.00 H new ATOM 0 HB3 PRO A -8 41.763 19.664 27.110 1.00 0.00 H new ATOM 0 HG2 PRO A -8 43.306 20.375 25.042 1.00 0.00 H new ATOM 0 HG3 PRO A -8 42.080 21.465 25.658 1.00 0.00 H new ATOM 0 HD2 PRO A -8 45.062 21.538 26.092 1.00 0.00 H new ATOM 0 HD3 PRO A -8 43.953 22.872 25.840 1.00 0.00 H new ATOM 107 N GLN A -7 43.364 19.953 30.529 1.00 0.00 N ATOM 108 CA GLN A -7 44.057 19.210 31.561 1.00 0.00 C ATOM 109 C GLN A -7 43.867 17.714 31.362 1.00 0.00 C ATOM 110 O GLN A -7 42.811 17.146 31.673 1.00 0.00 O ATOM 111 CB GLN A -7 43.628 19.660 32.963 1.00 0.00 C ATOM 112 CG GLN A -7 42.131 19.777 33.154 1.00 0.00 C ATOM 113 CD GLN A -7 41.762 20.284 34.529 1.00 0.00 C ATOM 114 OE1 GLN A -7 42.470 20.043 35.507 1.00 0.00 O ATOM 115 NE2 GLN A -7 40.663 20.999 34.613 1.00 0.00 N ATOM 0 H GLN A -7 42.453 20.320 30.806 1.00 0.00 H new ATOM 0 HA GLN A -7 45.122 19.424 31.476 1.00 0.00 H new ATOM 0 HB2 GLN A -7 44.021 18.953 33.694 1.00 0.00 H new ATOM 0 HB3 GLN A -7 44.085 20.626 33.177 1.00 0.00 H new ATOM 0 HG2 GLN A -7 41.723 20.450 32.400 1.00 0.00 H new ATOM 0 HG3 GLN A -7 41.670 18.802 32.994 1.00 0.00 H new ATOM 0 HE21 GLN A -7 40.104 21.176 33.778 1.00 0.00 H new ATOM 0 HE22 GLN A -7 40.368 21.377 35.513 1.00 0.00 H new ATOM 124 N PHE A -6 44.890 17.098 30.813 1.00 0.00 N ATOM 125 CA PHE A -6 44.873 15.689 30.490 1.00 0.00 C ATOM 126 C PHE A -6 44.859 14.835 31.750 1.00 0.00 C ATOM 127 O PHE A -6 45.740 14.958 32.613 1.00 0.00 O ATOM 128 CB PHE A -6 46.075 15.352 29.613 1.00 0.00 C ATOM 129 CG PHE A -6 46.221 16.283 28.436 1.00 0.00 C ATOM 130 CD1 PHE A -6 45.133 16.568 27.619 1.00 0.00 C ATOM 131 CD2 PHE A -6 47.431 16.890 28.162 1.00 0.00 C ATOM 132 CE1 PHE A -6 45.257 17.433 26.555 1.00 0.00 C ATOM 133 CE2 PHE A -6 47.559 17.762 27.097 1.00 0.00 C ATOM 134 CZ PHE A -6 46.470 18.033 26.292 1.00 0.00 C ATOM 0 H PHE A -6 45.765 17.565 30.576 1.00 0.00 H new ATOM 0 HA PHE A -6 43.959 15.466 29.939 1.00 0.00 H new ATOM 0 HB2 PHE A -6 46.982 15.392 30.217 1.00 0.00 H new ATOM 0 HB3 PHE A -6 45.979 14.329 29.251 1.00 0.00 H new ATOM 0 HD1 PHE A -6 44.178 16.105 27.821 1.00 0.00 H new ATOM 0 HD2 PHE A -6 48.287 16.681 28.787 1.00 0.00 H new ATOM 0 HE1 PHE A -6 44.404 17.641 25.926 1.00 0.00 H new ATOM 0 HE2 PHE A -6 48.510 18.231 26.895 1.00 0.00 H new ATOM 0 HZ PHE A -6 46.568 18.713 25.459 1.00 0.00 H new ATOM 144 N GLU A -5 43.860 13.977 31.851 1.00 0.00 N ATOM 145 CA GLU A -5 43.686 13.141 33.022 1.00 0.00 C ATOM 146 C GLU A -5 44.301 11.741 32.856 1.00 0.00 C ATOM 147 O GLU A -5 45.402 11.490 33.340 1.00 0.00 O ATOM 148 CB GLU A -5 42.200 13.073 33.425 1.00 0.00 C ATOM 149 CG GLU A -5 41.227 12.981 32.254 1.00 0.00 C ATOM 150 CD GLU A -5 39.790 13.150 32.683 1.00 0.00 C ATOM 151 OE1 GLU A -5 39.307 14.300 32.714 1.00 0.00 O ATOM 152 OE2 GLU A -5 39.134 12.144 32.987 1.00 0.00 O ATOM 0 H GLU A -5 43.152 13.841 31.129 1.00 0.00 H new ATOM 0 HA GLU A -5 44.239 13.610 33.836 1.00 0.00 H new ATOM 0 HB2 GLU A -5 42.052 12.208 34.072 1.00 0.00 H new ATOM 0 HB3 GLU A -5 41.956 13.957 34.014 1.00 0.00 H new ATOM 0 HG2 GLU A -5 41.476 13.746 31.518 1.00 0.00 H new ATOM 0 HG3 GLU A -5 41.345 12.015 31.762 1.00 0.00 H new ATOM 159 N LYS A -4 43.618 10.851 32.148 1.00 0.00 N ATOM 160 CA LYS A -4 44.087 9.476 32.014 1.00 0.00 C ATOM 161 C LYS A -4 45.138 9.338 30.923 1.00 0.00 C ATOM 162 O LYS A -4 46.120 8.611 31.087 1.00 0.00 O ATOM 163 CB LYS A -4 42.919 8.525 31.735 1.00 0.00 C ATOM 164 CG LYS A -4 41.853 8.507 32.824 1.00 0.00 C ATOM 165 CD LYS A -4 40.747 7.506 32.510 1.00 0.00 C ATOM 166 CE LYS A -4 41.272 6.076 32.488 1.00 0.00 C ATOM 167 NZ LYS A -4 40.223 5.098 32.107 1.00 0.00 N ATOM 0 H LYS A -4 42.745 11.053 31.661 1.00 0.00 H new ATOM 0 HA LYS A -4 44.549 9.205 32.963 1.00 0.00 H new ATOM 0 HB2 LYS A -4 42.453 8.807 30.791 1.00 0.00 H new ATOM 0 HB3 LYS A -4 43.310 7.515 31.608 1.00 0.00 H new ATOM 0 HG2 LYS A -4 42.313 8.255 33.780 1.00 0.00 H new ATOM 0 HG3 LYS A -4 41.424 9.503 32.930 1.00 0.00 H new ATOM 0 HD2 LYS A -4 39.956 7.592 33.255 1.00 0.00 H new ATOM 0 HD3 LYS A -4 40.303 7.746 31.544 1.00 0.00 H new ATOM 0 HE2 LYS A -4 42.103 6.007 31.786 1.00 0.00 H new ATOM 0 HE3 LYS A -4 41.664 5.820 33.472 1.00 0.00 H new ATOM 0 HZ1 LYS A -4 40.626 4.139 32.106 1.00 0.00 H new ATOM 0 HZ2 LYS A -4 39.441 5.144 32.791 1.00 0.00 H new ATOM 0 HZ3 LYS A -4 39.866 5.325 31.157 1.00 0.00 H new ATOM 181 N ILE A -3 44.937 10.044 29.816 1.00 0.00 N ATOM 182 CA ILE A -3 45.841 9.964 28.667 1.00 0.00 C ATOM 183 C ILE A -3 47.283 10.303 29.020 1.00 0.00 C ATOM 184 O ILE A -3 48.204 9.770 28.414 1.00 0.00 O ATOM 185 CB ILE A -3 45.384 10.859 27.504 1.00 0.00 C ATOM 186 CG1 ILE A -3 45.141 12.285 27.980 1.00 0.00 C ATOM 187 CG2 ILE A -3 44.148 10.286 26.850 1.00 0.00 C ATOM 188 CD1 ILE A -3 44.667 13.216 26.893 1.00 0.00 C ATOM 0 H ILE A -3 44.152 10.683 29.687 1.00 0.00 H new ATOM 0 HA ILE A -3 45.802 8.921 28.352 1.00 0.00 H new ATOM 0 HB ILE A -3 46.180 10.888 26.759 1.00 0.00 H new ATOM 0 HG12 ILE A -3 44.402 12.270 28.781 1.00 0.00 H new ATOM 0 HG13 ILE A -3 46.064 12.678 28.406 1.00 0.00 H new ATOM 0 HG21 ILE A -3 43.838 10.932 26.029 1.00 0.00 H new ATOM 0 HG22 ILE A -3 44.368 9.290 26.465 1.00 0.00 H new ATOM 0 HG23 ILE A -3 43.345 10.222 27.584 1.00 0.00 H new ATOM 0 HD11 ILE A -3 44.516 14.213 27.308 1.00 0.00 H new ATOM 0 HD12 ILE A -3 45.415 13.262 26.102 1.00 0.00 H new ATOM 0 HD13 ILE A -3 43.727 12.847 26.483 1.00 0.00 H new ATOM 200 N GLU A -2 47.475 11.161 30.013 1.00 0.00 N ATOM 201 CA GLU A -2 48.815 11.575 30.422 1.00 0.00 C ATOM 202 C GLU A -2 49.652 10.368 30.867 1.00 0.00 C ATOM 203 O GLU A -2 50.878 10.358 30.728 1.00 0.00 O ATOM 204 CB GLU A -2 48.735 12.600 31.552 1.00 0.00 C ATOM 205 CG GLU A -2 50.080 13.183 31.940 1.00 0.00 C ATOM 206 CD GLU A -2 50.008 14.034 33.179 1.00 0.00 C ATOM 207 OE1 GLU A -2 50.176 13.486 34.290 1.00 0.00 O ATOM 208 OE2 GLU A -2 49.783 15.255 33.057 1.00 0.00 O ATOM 0 H GLU A -2 46.720 11.586 30.552 1.00 0.00 H new ATOM 0 HA GLU A -2 49.302 12.033 29.561 1.00 0.00 H new ATOM 0 HB2 GLU A -2 48.071 13.410 31.250 1.00 0.00 H new ATOM 0 HB3 GLU A -2 48.286 12.129 32.427 1.00 0.00 H new ATOM 0 HG2 GLU A -2 50.790 12.372 32.102 1.00 0.00 H new ATOM 0 HG3 GLU A -2 50.464 13.782 31.114 1.00 0.00 H new ATOM 215 N GLY A -1 48.981 9.347 31.377 1.00 0.00 N ATOM 216 CA GLY A -1 49.676 8.171 31.841 1.00 0.00 C ATOM 217 C GLY A -1 49.624 7.031 30.845 1.00 0.00 C ATOM 218 O GLY A -1 49.667 5.862 31.235 1.00 0.00 O ATOM 0 H GLY A -1 47.966 9.314 31.477 1.00 0.00 H new ATOM 0 HA2 GLY A -1 50.717 8.425 32.043 1.00 0.00 H new ATOM 0 HA3 GLY A -1 49.239 7.844 32.785 1.00 0.00 H new ATOM 222 N ARG A 0 49.526 7.359 29.560 1.00 0.00 N ATOM 223 CA ARG A 0 49.486 6.335 28.517 1.00 0.00 C ATOM 224 C ARG A 0 49.995 6.858 27.167 1.00 0.00 C ATOM 225 O ARG A 0 50.788 6.200 26.504 1.00 0.00 O ATOM 226 CB ARG A 0 48.072 5.752 28.356 1.00 0.00 C ATOM 227 CG ARG A 0 46.992 6.794 28.147 1.00 0.00 C ATOM 228 CD ARG A 0 45.739 6.205 27.528 1.00 0.00 C ATOM 229 NE ARG A 0 45.081 5.232 28.393 1.00 0.00 N ATOM 230 CZ ARG A 0 43.776 4.952 28.338 1.00 0.00 C ATOM 231 NH1 ARG A 0 42.988 5.613 27.493 1.00 0.00 N ATOM 232 NH2 ARG A 0 43.260 4.025 29.132 1.00 0.00 N ATOM 0 H ARG A 0 49.473 8.318 29.216 1.00 0.00 H new ATOM 0 HA ARG A 0 50.158 5.541 28.842 1.00 0.00 H new ATOM 0 HB2 ARG A 0 48.068 5.066 27.509 1.00 0.00 H new ATOM 0 HB3 ARG A 0 47.829 5.166 29.242 1.00 0.00 H new ATOM 0 HG2 ARG A 0 46.742 7.252 29.104 1.00 0.00 H new ATOM 0 HG3 ARG A 0 47.374 7.587 27.504 1.00 0.00 H new ATOM 0 HD2 ARG A 0 45.041 7.010 27.298 1.00 0.00 H new ATOM 0 HD3 ARG A 0 45.997 5.727 26.583 1.00 0.00 H new ATOM 0 HE ARG A 0 45.650 4.737 29.079 1.00 0.00 H new ATOM 0 HH11 ARG A 0 43.381 6.334 26.887 1.00 0.00 H new ATOM 0 HH12 ARG A 0 41.992 5.399 27.451 1.00 0.00 H new ATOM 0 HH21 ARG A 0 43.860 3.523 29.787 1.00 0.00 H new ATOM 0 HH22 ARG A 0 42.263 3.813 29.088 1.00 0.00 H new ATOM 246 N MET A 1 49.551 8.043 26.772 1.00 0.00 N ATOM 247 CA MET A 1 49.915 8.599 25.470 1.00 0.00 C ATOM 248 C MET A 1 50.376 10.043 25.598 1.00 0.00 C ATOM 249 O MET A 1 49.978 10.752 26.523 1.00 0.00 O ATOM 250 CB MET A 1 48.731 8.489 24.495 1.00 0.00 C ATOM 251 CG MET A 1 47.455 9.145 24.983 1.00 0.00 C ATOM 252 SD MET A 1 46.101 8.973 23.811 1.00 0.00 S ATOM 253 CE MET A 1 46.050 7.195 23.592 1.00 0.00 C ATOM 0 H MET A 1 48.940 8.639 27.330 1.00 0.00 H new ATOM 0 HA MET A 1 50.749 8.020 25.073 1.00 0.00 H new ATOM 0 HB2 MET A 1 49.016 8.939 23.544 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.532 7.435 24.301 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.165 8.703 25.936 1.00 0.00 H new ATOM 0 HG3 MET A 1 47.641 10.203 25.166 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.144 6.921 23.051 1.00 0.00 H new ATOM 0 HE2 MET A 1 46.923 6.873 23.025 1.00 0.00 H new ATOM 0 HE3 MET A 1 46.051 6.708 24.567 1.00 0.00 H new ATOM 263 N ASP A 2 51.220 10.470 24.677 1.00 0.00 N ATOM 264 CA ASP A 2 51.754 11.822 24.701 1.00 0.00 C ATOM 265 C ASP A 2 51.932 12.351 23.285 1.00 0.00 C ATOM 266 O ASP A 2 52.003 11.571 22.332 1.00 0.00 O ATOM 267 CB ASP A 2 53.098 11.847 25.444 1.00 0.00 C ATOM 268 CG ASP A 2 53.612 13.251 25.666 1.00 0.00 C ATOM 269 OD1 ASP A 2 53.042 13.961 26.513 1.00 0.00 O ATOM 270 OD2 ASP A 2 54.591 13.651 25.002 1.00 0.00 O ATOM 0 H ASP A 2 51.552 9.899 23.900 1.00 0.00 H new ATOM 0 HA ASP A 2 51.046 12.464 25.226 1.00 0.00 H new ATOM 0 HB2 ASP A 2 52.986 11.348 26.407 1.00 0.00 H new ATOM 0 HB3 ASP A 2 53.835 11.280 24.875 1.00 0.00 H new ATOM 275 N VAL A 3 51.988 13.666 23.148 1.00 0.00 N ATOM 276 CA VAL A 3 52.197 14.291 21.853 1.00 0.00 C ATOM 277 C VAL A 3 53.555 13.873 21.294 1.00 0.00 C ATOM 278 O VAL A 3 54.571 13.970 21.975 1.00 0.00 O ATOM 279 CB VAL A 3 52.136 15.836 21.957 1.00 0.00 C ATOM 280 CG1 VAL A 3 52.288 16.482 20.587 1.00 0.00 C ATOM 281 CG2 VAL A 3 50.837 16.279 22.614 1.00 0.00 C ATOM 0 H VAL A 3 51.891 14.323 23.922 1.00 0.00 H new ATOM 0 HA VAL A 3 51.401 13.961 21.186 1.00 0.00 H new ATOM 0 HB VAL A 3 52.968 16.164 22.580 1.00 0.00 H new ATOM 0 HG11 VAL A 3 52.242 17.566 20.689 1.00 0.00 H new ATOM 0 HG12 VAL A 3 53.248 16.199 20.156 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.483 16.144 19.934 1.00 0.00 H new ATOM 0 HG21 VAL A 3 50.814 17.367 22.678 1.00 0.00 H new ATOM 0 HG22 VAL A 3 49.992 15.932 22.019 1.00 0.00 H new ATOM 0 HG23 VAL A 3 50.773 15.856 23.616 1.00 0.00 H new ATOM 291 N GLY A 4 53.565 13.396 20.067 1.00 0.00 N ATOM 292 CA GLY A 4 54.798 12.945 19.464 1.00 0.00 C ATOM 293 C GLY A 4 54.886 11.436 19.407 1.00 0.00 C ATOM 294 O GLY A 4 55.758 10.882 18.734 1.00 0.00 O ATOM 0 H GLY A 4 52.740 13.311 19.473 1.00 0.00 H new ATOM 0 HA2 GLY A 4 54.877 13.350 18.455 1.00 0.00 H new ATOM 0 HA3 GLY A 4 55.643 13.336 20.032 1.00 0.00 H new ATOM 298 N GLN A 5 53.989 10.769 20.117 1.00 0.00 N ATOM 299 CA GLN A 5 53.950 9.315 20.122 1.00 0.00 C ATOM 300 C GLN A 5 53.226 8.798 18.893 1.00 0.00 C ATOM 301 O GLN A 5 52.328 9.464 18.361 1.00 0.00 O ATOM 302 CB GLN A 5 53.266 8.794 21.389 1.00 0.00 C ATOM 303 CG GLN A 5 54.071 9.020 22.658 1.00 0.00 C ATOM 304 CD GLN A 5 55.349 8.200 22.699 1.00 0.00 C ATOM 305 OE1 GLN A 5 55.319 7.012 22.124 1.00 0.00 O flip ATOM 306 NE2 GLN A 5 56.354 8.629 23.261 1.00 0.00 N flip ATOM 0 H GLN A 5 53.277 11.212 20.698 1.00 0.00 H new ATOM 0 HA GLN A 5 54.977 8.950 20.106 1.00 0.00 H new ATOM 0 HB2 GLN A 5 52.296 9.281 21.493 1.00 0.00 H new ATOM 0 HB3 GLN A 5 53.076 7.727 21.276 1.00 0.00 H new ATOM 0 HG2 GLN A 5 54.321 10.078 22.741 1.00 0.00 H new ATOM 0 HG3 GLN A 5 53.456 8.769 23.522 1.00 0.00 H new ATOM 0 HE21 GLN A 5 56.341 9.552 23.695 1.00 0.00 H new ATOM 0 HE22 GLN A 5 57.201 8.062 23.294 1.00 0.00 H new ATOM 315 N LYS A 6 53.615 7.624 18.443 1.00 0.00 N ATOM 316 CA LYS A 6 52.997 7.013 17.289 1.00 0.00 C ATOM 317 C LYS A 6 51.871 6.104 17.725 1.00 0.00 C ATOM 318 O LYS A 6 52.065 5.207 18.550 1.00 0.00 O ATOM 319 CB LYS A 6 54.018 6.213 16.484 1.00 0.00 C ATOM 320 CG LYS A 6 55.221 7.016 16.021 1.00 0.00 C ATOM 321 CD LYS A 6 56.182 6.152 15.219 1.00 0.00 C ATOM 322 CE LYS A 6 55.564 5.695 13.905 1.00 0.00 C ATOM 323 NZ LYS A 6 56.432 4.732 13.191 1.00 0.00 N ATOM 0 H LYS A 6 54.362 7.071 18.864 1.00 0.00 H new ATOM 0 HA LYS A 6 52.600 7.807 16.656 1.00 0.00 H new ATOM 0 HB2 LYS A 6 54.366 5.377 17.091 1.00 0.00 H new ATOM 0 HB3 LYS A 6 53.522 5.789 15.611 1.00 0.00 H new ATOM 0 HG2 LYS A 6 54.888 7.856 15.412 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.738 7.434 16.885 1.00 0.00 H new ATOM 0 HD2 LYS A 6 57.094 6.713 15.017 1.00 0.00 H new ATOM 0 HD3 LYS A 6 56.468 5.281 15.809 1.00 0.00 H new ATOM 0 HE2 LYS A 6 54.595 5.235 14.100 1.00 0.00 H new ATOM 0 HE3 LYS A 6 55.383 6.561 13.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 55.975 4.446 12.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 57.347 5.179 12.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 56.584 3.894 13.787 1.00 0.00 H new ATOM 337 N VAL A 7 50.704 6.331 17.184 1.00 0.00 N ATOM 338 CA VAL A 7 49.546 5.539 17.521 1.00 0.00 C ATOM 339 C VAL A 7 48.858 5.037 16.271 1.00 0.00 C ATOM 340 O VAL A 7 48.966 5.643 15.203 1.00 0.00 O ATOM 341 CB VAL A 7 48.527 6.328 18.379 1.00 0.00 C ATOM 342 CG1 VAL A 7 49.092 6.626 19.754 1.00 0.00 C ATOM 343 CG2 VAL A 7 48.118 7.614 17.684 1.00 0.00 C ATOM 0 H VAL A 7 50.527 7.066 16.500 1.00 0.00 H new ATOM 0 HA VAL A 7 49.907 4.695 18.109 1.00 0.00 H new ATOM 0 HB VAL A 7 47.640 5.706 18.501 1.00 0.00 H new ATOM 0 HG11 VAL A 7 48.357 7.181 20.337 1.00 0.00 H new ATOM 0 HG12 VAL A 7 49.326 5.690 20.262 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.999 7.221 19.653 1.00 0.00 H new ATOM 0 HG21 VAL A 7 47.402 8.151 18.305 1.00 0.00 H new ATOM 0 HG22 VAL A 7 48.998 8.237 17.523 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.660 7.379 16.723 1.00 0.00 H new ATOM 353 N ARG A 8 48.168 3.929 16.396 1.00 0.00 N ATOM 354 CA ARG A 8 47.439 3.369 15.285 1.00 0.00 C ATOM 355 C ARG A 8 46.049 2.968 15.723 1.00 0.00 C ATOM 356 O ARG A 8 45.854 2.490 16.844 1.00 0.00 O ATOM 357 CB ARG A 8 48.191 2.176 14.678 1.00 0.00 C ATOM 358 CG ARG A 8 48.174 0.920 15.519 1.00 0.00 C ATOM 359 CD ARG A 8 49.034 -0.169 14.901 1.00 0.00 C ATOM 360 NE ARG A 8 49.015 -1.388 15.701 1.00 0.00 N ATOM 361 CZ ARG A 8 50.070 -2.177 15.911 1.00 0.00 C ATOM 362 NH1 ARG A 8 51.239 -1.901 15.344 1.00 0.00 N ATOM 363 NH2 ARG A 8 49.946 -3.252 16.680 1.00 0.00 N ATOM 0 H ARG A 8 48.096 3.395 17.262 1.00 0.00 H new ATOM 0 HA ARG A 8 47.351 4.131 14.510 1.00 0.00 H new ATOM 0 HB2 ARG A 8 47.758 1.950 13.704 1.00 0.00 H new ATOM 0 HB3 ARG A 8 49.227 2.467 14.506 1.00 0.00 H new ATOM 0 HG2 ARG A 8 48.535 1.146 16.522 1.00 0.00 H new ATOM 0 HG3 ARG A 8 47.149 0.563 15.622 1.00 0.00 H new ATOM 0 HD2 ARG A 8 48.677 -0.388 13.895 1.00 0.00 H new ATOM 0 HD3 ARG A 8 50.060 0.187 14.805 1.00 0.00 H new ATOM 0 HE ARG A 8 48.130 -1.657 16.132 1.00 0.00 H new ATOM 0 HH11 ARG A 8 51.334 -1.082 14.744 1.00 0.00 H new ATOM 0 HH12 ARG A 8 52.042 -2.508 15.509 1.00 0.00 H new ATOM 0 HH21 ARG A 8 49.047 -3.472 17.108 1.00 0.00 H new ATOM 0 HH22 ARG A 8 50.750 -3.858 16.843 1.00 0.00 H new ATOM 377 N VAL A 9 45.085 3.178 14.856 1.00 0.00 N ATOM 378 CA VAL A 9 43.710 2.838 15.163 1.00 0.00 C ATOM 379 C VAL A 9 43.519 1.336 15.040 1.00 0.00 C ATOM 380 O VAL A 9 43.585 0.784 13.945 1.00 0.00 O ATOM 381 CB VAL A 9 42.722 3.560 14.222 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.309 3.497 14.778 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.148 5.001 13.992 1.00 0.00 C ATOM 0 H VAL A 9 45.226 3.583 13.931 1.00 0.00 H new ATOM 0 HA VAL A 9 43.503 3.162 16.183 1.00 0.00 H new ATOM 0 HB VAL A 9 42.733 3.048 13.260 1.00 0.00 H new ATOM 0 HG11 VAL A 9 40.628 4.012 14.100 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.003 2.455 14.878 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.281 3.979 15.755 1.00 0.00 H new ATOM 0 HG21 VAL A 9 42.436 5.489 13.326 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.174 5.529 14.945 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.140 5.020 13.540 1.00 0.00 H new ATOM 393 N CYS A 10 43.319 0.679 16.159 1.00 0.00 N ATOM 394 CA CYS A 10 43.154 -0.766 16.172 1.00 0.00 C ATOM 395 C CYS A 10 41.689 -1.136 16.155 1.00 0.00 C ATOM 396 O CYS A 10 41.308 -2.200 15.671 1.00 0.00 O ATOM 397 CB CYS A 10 43.821 -1.354 17.415 1.00 0.00 C ATOM 398 SG CYS A 10 43.721 -3.157 17.548 1.00 0.00 S ATOM 0 H CYS A 10 43.266 1.119 17.078 1.00 0.00 H new ATOM 0 HA CYS A 10 43.626 -1.176 15.279 1.00 0.00 H new ATOM 0 HB2 CYS A 10 44.871 -1.061 17.420 1.00 0.00 H new ATOM 0 HB3 CYS A 10 43.362 -0.912 18.300 1.00 0.00 H new ATOM 0 HG CYS A 10 42.707 -3.588 16.857 1.00 0.00 H new ATOM 404 N ARG A 11 40.872 -0.248 16.668 1.00 0.00 N ATOM 405 CA ARG A 11 39.454 -0.491 16.794 1.00 0.00 C ATOM 406 C ARG A 11 38.703 0.813 16.705 1.00 0.00 C ATOM 407 O ARG A 11 39.300 1.864 16.837 1.00 0.00 O ATOM 408 CB ARG A 11 39.181 -1.161 18.138 1.00 0.00 C ATOM 409 CG ARG A 11 39.819 -0.430 19.313 1.00 0.00 C ATOM 410 CD ARG A 11 39.646 -1.187 20.614 1.00 0.00 C ATOM 411 NE ARG A 11 40.253 -2.520 20.558 1.00 0.00 N ATOM 412 CZ ARG A 11 41.527 -2.791 20.867 1.00 0.00 C ATOM 413 NH1 ARG A 11 42.364 -1.812 21.205 1.00 0.00 N ATOM 414 NH2 ARG A 11 41.963 -4.041 20.824 1.00 0.00 N ATOM 0 H ARG A 11 41.171 0.665 17.011 1.00 0.00 H new ATOM 0 HA ARG A 11 39.119 -1.144 15.988 1.00 0.00 H new ATOM 0 HB2 ARG A 11 38.104 -1.219 18.296 1.00 0.00 H new ATOM 0 HB3 ARG A 11 39.554 -2.185 18.109 1.00 0.00 H new ATOM 0 HG2 ARG A 11 40.881 -0.285 19.116 1.00 0.00 H new ATOM 0 HG3 ARG A 11 39.375 0.561 19.408 1.00 0.00 H new ATOM 0 HD2 ARG A 11 40.096 -0.618 21.427 1.00 0.00 H new ATOM 0 HD3 ARG A 11 38.584 -1.281 20.840 1.00 0.00 H new ATOM 0 HE ARG A 11 39.662 -3.297 20.262 1.00 0.00 H new ATOM 0 HH11 ARG A 11 42.036 -0.847 21.230 1.00 0.00 H new ATOM 0 HH12 ARG A 11 43.333 -2.028 21.439 1.00 0.00 H new ATOM 0 HH21 ARG A 11 41.329 -4.793 20.556 1.00 0.00 H new ATOM 0 HH22 ARG A 11 42.933 -4.251 21.059 1.00 0.00 H new ATOM 428 N ILE A 12 37.410 0.738 16.437 1.00 0.00 N ATOM 429 CA ILE A 12 36.561 1.922 16.401 1.00 0.00 C ATOM 430 C ILE A 12 35.287 1.678 17.213 1.00 0.00 C ATOM 431 O ILE A 12 34.777 0.552 17.250 1.00 0.00 O ATOM 432 CB ILE A 12 36.192 2.333 14.944 1.00 0.00 C ATOM 433 CG1 ILE A 12 37.453 2.683 14.154 1.00 0.00 C ATOM 434 CG2 ILE A 12 35.232 3.522 14.940 1.00 0.00 C ATOM 435 CD1 ILE A 12 37.205 2.928 12.684 1.00 0.00 C ATOM 0 H ILE A 12 36.921 -0.135 16.240 1.00 0.00 H new ATOM 0 HA ILE A 12 37.126 2.744 16.842 1.00 0.00 H new ATOM 0 HB ILE A 12 35.697 1.485 14.470 1.00 0.00 H new ATOM 0 HG12 ILE A 12 37.907 3.573 14.589 1.00 0.00 H new ATOM 0 HG13 ILE A 12 38.174 1.872 14.261 1.00 0.00 H new ATOM 0 HG21 ILE A 12 34.989 3.790 13.912 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.318 3.254 15.470 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.703 4.371 15.435 1.00 0.00 H new ATOM 0 HD11 ILE A 12 38.147 3.171 12.192 1.00 0.00 H new ATOM 0 HD12 ILE A 12 36.780 2.032 12.232 1.00 0.00 H new ATOM 0 HD13 ILE A 12 36.509 3.759 12.566 1.00 0.00 H new ATOM 447 N ARG A 13 34.813 2.715 17.902 1.00 0.00 N ATOM 448 CA ARG A 13 33.562 2.637 18.659 1.00 0.00 C ATOM 449 C ARG A 13 32.381 2.450 17.704 1.00 0.00 C ATOM 450 O ARG A 13 32.558 2.440 16.483 1.00 0.00 O ATOM 451 CB ARG A 13 33.348 3.913 19.491 1.00 0.00 C ATOM 452 CG ARG A 13 34.430 4.194 20.527 1.00 0.00 C ATOM 453 CD ARG A 13 34.678 2.984 21.402 1.00 0.00 C ATOM 454 NE ARG A 13 35.362 3.323 22.651 1.00 0.00 N ATOM 455 CZ ARG A 13 36.651 3.077 22.907 1.00 0.00 C ATOM 456 NH1 ARG A 13 37.478 2.717 21.934 1.00 0.00 N ATOM 457 NH2 ARG A 13 37.120 3.244 24.133 1.00 0.00 N ATOM 0 H ARG A 13 35.277 3.622 17.952 1.00 0.00 H new ATOM 0 HA ARG A 13 33.625 1.783 19.333 1.00 0.00 H new ATOM 0 HB2 ARG A 13 33.285 4.764 18.813 1.00 0.00 H new ATOM 0 HB3 ARG A 13 32.388 3.840 20.001 1.00 0.00 H new ATOM 0 HG2 ARG A 13 35.354 4.477 20.024 1.00 0.00 H new ATOM 0 HG3 ARG A 13 34.133 5.040 21.147 1.00 0.00 H new ATOM 0 HD2 ARG A 13 33.726 2.505 21.632 1.00 0.00 H new ATOM 0 HD3 ARG A 13 35.275 2.258 20.851 1.00 0.00 H new ATOM 0 HE ARG A 13 34.815 3.781 23.380 1.00 0.00 H new ATOM 0 HH11 ARG A 13 37.132 2.625 20.979 1.00 0.00 H new ATOM 0 HH12 ARG A 13 38.459 2.532 22.141 1.00 0.00 H new ATOM 0 HH21 ARG A 13 36.499 3.559 24.878 1.00 0.00 H new ATOM 0 HH22 ARG A 13 38.103 3.058 24.333 1.00 0.00 H new ATOM 471 N ASP A 14 31.175 2.310 18.246 1.00 0.00 N ATOM 472 CA ASP A 14 30.001 2.156 17.391 1.00 0.00 C ATOM 473 C ASP A 14 29.626 3.478 16.739 1.00 0.00 C ATOM 474 O ASP A 14 28.751 4.211 17.216 1.00 0.00 O ATOM 475 CB ASP A 14 28.805 1.565 18.131 1.00 0.00 C ATOM 476 CG ASP A 14 27.618 1.368 17.205 1.00 0.00 C ATOM 477 OD1 ASP A 14 27.806 0.820 16.103 1.00 0.00 O ATOM 478 OD2 ASP A 14 26.493 1.763 17.572 1.00 0.00 O ATOM 0 H ASP A 14 30.986 2.300 19.248 1.00 0.00 H new ATOM 0 HA ASP A 14 30.276 1.444 16.613 1.00 0.00 H new ATOM 0 HB2 ASP A 14 29.086 0.609 18.573 1.00 0.00 H new ATOM 0 HB3 ASP A 14 28.522 2.224 18.952 1.00 0.00 H new ATOM 483 N ARG A 15 30.340 3.784 15.680 1.00 0.00 N ATOM 484 CA ARG A 15 30.160 4.989 14.898 1.00 0.00 C ATOM 485 C ARG A 15 31.139 4.926 13.731 1.00 0.00 C ATOM 486 O ARG A 15 31.662 5.939 13.266 1.00 0.00 O ATOM 487 CB ARG A 15 30.417 6.240 15.779 1.00 0.00 C ATOM 488 CG ARG A 15 30.188 7.583 15.084 1.00 0.00 C ATOM 489 CD ARG A 15 28.860 7.618 14.345 1.00 0.00 C ATOM 490 NE ARG A 15 28.600 8.932 13.756 1.00 0.00 N ATOM 491 CZ ARG A 15 28.196 9.134 12.497 1.00 0.00 C ATOM 492 NH1 ARG A 15 28.024 8.105 11.671 1.00 0.00 N ATOM 493 NH2 ARG A 15 27.971 10.371 12.065 1.00 0.00 N ATOM 0 H ARG A 15 31.085 3.184 15.327 1.00 0.00 H new ATOM 0 HA ARG A 15 29.139 5.063 14.523 1.00 0.00 H new ATOM 0 HB2 ARG A 15 29.770 6.187 16.655 1.00 0.00 H new ATOM 0 HB3 ARG A 15 31.445 6.206 16.139 1.00 0.00 H new ATOM 0 HG2 ARG A 15 30.214 8.384 15.823 1.00 0.00 H new ATOM 0 HG3 ARG A 15 31.000 7.772 14.382 1.00 0.00 H new ATOM 0 HD2 ARG A 15 28.861 6.862 13.560 1.00 0.00 H new ATOM 0 HD3 ARG A 15 28.054 7.362 15.033 1.00 0.00 H new ATOM 0 HE ARG A 15 28.736 9.752 14.347 1.00 0.00 H new ATOM 0 HH11 ARG A 15 28.200 7.155 11.997 1.00 0.00 H new ATOM 0 HH12 ARG A 15 27.716 8.267 10.712 1.00 0.00 H new ATOM 0 HH21 ARG A 15 28.107 11.163 12.693 1.00 0.00 H new ATOM 0 HH22 ARG A 15 27.663 10.528 11.105 1.00 0.00 H new ATOM 507 N VAL A 16 31.369 3.712 13.249 1.00 0.00 N ATOM 508 CA VAL A 16 32.329 3.495 12.191 1.00 0.00 C ATOM 509 C VAL A 16 31.843 4.102 10.882 1.00 0.00 C ATOM 510 O VAL A 16 30.851 3.655 10.301 1.00 0.00 O ATOM 511 CB VAL A 16 32.591 1.986 11.971 1.00 0.00 C ATOM 512 CG1 VAL A 16 33.691 1.771 10.944 1.00 0.00 C ATOM 513 CG2 VAL A 16 32.940 1.297 13.282 1.00 0.00 C ATOM 0 H VAL A 16 30.901 2.867 13.578 1.00 0.00 H new ATOM 0 HA VAL A 16 33.256 3.980 12.498 1.00 0.00 H new ATOM 0 HB VAL A 16 31.674 1.540 11.587 1.00 0.00 H new ATOM 0 HG11 VAL A 16 33.857 0.702 10.807 1.00 0.00 H new ATOM 0 HG12 VAL A 16 33.395 2.217 9.995 1.00 0.00 H new ATOM 0 HG13 VAL A 16 34.611 2.239 11.293 1.00 0.00 H new ATOM 0 HG21 VAL A 16 33.119 0.237 13.100 1.00 0.00 H new ATOM 0 HG22 VAL A 16 33.838 1.750 13.703 1.00 0.00 H new ATOM 0 HG23 VAL A 16 32.113 1.410 13.983 1.00 0.00 H new ATOM 523 N ALA A 17 32.528 5.133 10.445 1.00 0.00 N ATOM 524 CA ALA A 17 32.274 5.735 9.162 1.00 0.00 C ATOM 525 C ALA A 17 33.113 5.035 8.111 1.00 0.00 C ATOM 526 O ALA A 17 34.155 4.453 8.435 1.00 0.00 O ATOM 527 CB ALA A 17 32.581 7.227 9.195 1.00 0.00 C ATOM 0 H ALA A 17 33.279 5.577 10.973 1.00 0.00 H new ATOM 0 HA ALA A 17 31.219 5.622 8.913 1.00 0.00 H new ATOM 0 HB1 ALA A 17 32.382 7.661 8.215 1.00 0.00 H new ATOM 0 HB2 ALA A 17 31.951 7.712 9.941 1.00 0.00 H new ATOM 0 HB3 ALA A 17 33.630 7.377 9.452 1.00 0.00 H new ATOM 533 N GLN A 18 32.689 5.101 6.861 1.00 0.00 N ATOM 534 CA GLN A 18 33.435 4.481 5.770 1.00 0.00 C ATOM 535 C GLN A 18 34.789 5.171 5.580 1.00 0.00 C ATOM 536 O GLN A 18 35.688 4.632 4.946 1.00 0.00 O ATOM 537 CB GLN A 18 32.628 4.531 4.469 1.00 0.00 C ATOM 538 CG GLN A 18 32.341 5.938 3.972 1.00 0.00 C ATOM 539 CD GLN A 18 31.485 5.951 2.725 1.00 0.00 C ATOM 540 OE1 GLN A 18 30.653 5.064 2.516 1.00 0.00 O ATOM 541 NE2 GLN A 18 31.685 6.941 1.887 1.00 0.00 N ATOM 0 H GLN A 18 31.834 5.576 6.572 1.00 0.00 H new ATOM 0 HA GLN A 18 33.612 3.437 6.030 1.00 0.00 H new ATOM 0 HB2 GLN A 18 33.171 3.988 3.696 1.00 0.00 H new ATOM 0 HB3 GLN A 18 31.682 4.010 4.620 1.00 0.00 H new ATOM 0 HG2 GLN A 18 31.839 6.502 4.758 1.00 0.00 H new ATOM 0 HG3 GLN A 18 33.283 6.446 3.767 1.00 0.00 H new ATOM 0 HE21 GLN A 18 32.383 7.654 2.098 1.00 0.00 H new ATOM 0 HE22 GLN A 18 31.142 6.997 1.025 1.00 0.00 H new ATOM 550 N ASP A 19 34.918 6.362 6.146 1.00 0.00 N ATOM 551 CA ASP A 19 36.153 7.123 6.056 1.00 0.00 C ATOM 552 C ASP A 19 37.145 6.671 7.114 1.00 0.00 C ATOM 553 O ASP A 19 38.287 6.342 6.808 1.00 0.00 O ATOM 554 CB ASP A 19 35.881 8.619 6.232 1.00 0.00 C ATOM 555 CG ASP A 19 34.941 9.181 5.194 1.00 0.00 C ATOM 556 OD1 ASP A 19 35.389 9.455 4.063 1.00 0.00 O ATOM 557 OD2 ASP A 19 33.747 9.367 5.510 1.00 0.00 O ATOM 0 H ASP A 19 34.178 6.823 6.675 1.00 0.00 H new ATOM 0 HA ASP A 19 36.577 6.946 5.067 1.00 0.00 H new ATOM 0 HB2 ASP A 19 35.461 8.791 7.223 1.00 0.00 H new ATOM 0 HB3 ASP A 19 36.826 9.161 6.188 1.00 0.00 H new ATOM 562 N ILE A 20 36.696 6.638 8.364 1.00 0.00 N ATOM 563 CA ILE A 20 37.578 6.315 9.482 1.00 0.00 C ATOM 564 C ILE A 20 37.945 4.831 9.537 1.00 0.00 C ATOM 565 O ILE A 20 38.979 4.472 10.088 1.00 0.00 O ATOM 566 CB ILE A 20 36.991 6.763 10.843 1.00 0.00 C ATOM 567 CG1 ILE A 20 35.673 6.044 11.139 1.00 0.00 C ATOM 568 CG2 ILE A 20 36.795 8.275 10.863 1.00 0.00 C ATOM 569 CD1 ILE A 20 35.082 6.389 12.492 1.00 0.00 C ATOM 0 H ILE A 20 35.730 6.830 8.629 1.00 0.00 H new ATOM 0 HA ILE A 20 38.492 6.880 9.298 1.00 0.00 H new ATOM 0 HB ILE A 20 37.701 6.493 11.625 1.00 0.00 H new ATOM 0 HG12 ILE A 20 34.950 6.294 10.362 1.00 0.00 H new ATOM 0 HG13 ILE A 20 35.837 4.968 11.088 1.00 0.00 H new ATOM 0 HG21 ILE A 20 36.382 8.576 11.826 1.00 0.00 H new ATOM 0 HG22 ILE A 20 37.755 8.768 10.710 1.00 0.00 H new ATOM 0 HG23 ILE A 20 36.108 8.563 10.067 1.00 0.00 H new ATOM 0 HD11 ILE A 20 34.149 5.842 12.632 1.00 0.00 H new ATOM 0 HD12 ILE A 20 35.786 6.113 13.277 1.00 0.00 H new ATOM 0 HD13 ILE A 20 34.885 7.460 12.541 1.00 0.00 H new ATOM 581 N ILE A 21 37.110 3.971 8.948 1.00 0.00 N ATOM 582 CA ILE A 21 37.392 2.531 8.938 1.00 0.00 C ATOM 583 C ILE A 21 38.674 2.246 8.144 1.00 0.00 C ATOM 584 O ILE A 21 39.361 1.254 8.373 1.00 0.00 O ATOM 585 CB ILE A 21 36.206 1.710 8.351 1.00 0.00 C ATOM 586 CG1 ILE A 21 36.438 0.204 8.552 1.00 0.00 C ATOM 587 CG2 ILE A 21 36.000 2.025 6.874 1.00 0.00 C ATOM 588 CD1 ILE A 21 35.286 -0.663 8.084 1.00 0.00 C ATOM 0 H ILE A 21 36.245 4.240 8.478 1.00 0.00 H new ATOM 0 HA ILE A 21 37.530 2.218 9.973 1.00 0.00 H new ATOM 0 HB ILE A 21 35.302 1.996 8.888 1.00 0.00 H new ATOM 0 HG12 ILE A 21 37.341 -0.089 8.017 1.00 0.00 H new ATOM 0 HG13 ILE A 21 36.618 0.012 9.610 1.00 0.00 H new ATOM 0 HG21 ILE A 21 35.166 1.438 6.490 1.00 0.00 H new ATOM 0 HG22 ILE A 21 35.782 3.086 6.755 1.00 0.00 H new ATOM 0 HG23 ILE A 21 36.905 1.776 6.319 1.00 0.00 H new ATOM 0 HD11 ILE A 21 35.525 -1.712 8.259 1.00 0.00 H new ATOM 0 HD12 ILE A 21 34.384 -0.399 8.637 1.00 0.00 H new ATOM 0 HD13 ILE A 21 35.119 -0.502 7.019 1.00 0.00 H new ATOM 600 N GLN A 22 39.004 3.160 7.240 1.00 0.00 N ATOM 601 CA GLN A 22 40.192 3.043 6.409 1.00 0.00 C ATOM 602 C GLN A 22 41.449 3.352 7.215 1.00 0.00 C ATOM 603 O GLN A 22 42.567 3.151 6.745 1.00 0.00 O ATOM 604 CB GLN A 22 40.094 3.997 5.223 1.00 0.00 C ATOM 605 CG GLN A 22 38.886 3.755 4.336 1.00 0.00 C ATOM 606 CD GLN A 22 38.769 4.769 3.216 1.00 0.00 C ATOM 607 OE1 GLN A 22 39.774 5.275 2.704 1.00 0.00 O ATOM 608 NE2 GLN A 22 37.546 5.084 2.838 1.00 0.00 N ATOM 0 H GLN A 22 38.455 4.002 7.064 1.00 0.00 H new ATOM 0 HA GLN A 22 40.256 2.017 6.045 1.00 0.00 H new ATOM 0 HB2 GLN A 22 40.060 5.021 5.595 1.00 0.00 H new ATOM 0 HB3 GLN A 22 40.998 3.907 4.621 1.00 0.00 H new ATOM 0 HG2 GLN A 22 38.949 2.754 3.909 1.00 0.00 H new ATOM 0 HG3 GLN A 22 37.982 3.786 4.944 1.00 0.00 H new ATOM 0 HE21 GLN A 22 36.744 4.642 3.287 1.00 0.00 H new ATOM 0 HE22 GLN A 22 37.402 5.769 2.096 1.00 0.00 H new ATOM 617 N LYS A 23 41.261 3.845 8.428 1.00 0.00 N ATOM 618 CA LYS A 23 42.376 4.198 9.281 1.00 0.00 C ATOM 619 C LYS A 23 42.700 3.069 10.256 1.00 0.00 C ATOM 620 O LYS A 23 43.620 3.183 11.066 1.00 0.00 O ATOM 621 CB LYS A 23 42.084 5.500 10.032 1.00 0.00 C ATOM 622 CG LYS A 23 41.804 6.701 9.122 1.00 0.00 C ATOM 623 CD LYS A 23 43.048 7.528 8.851 1.00 0.00 C ATOM 624 CE LYS A 23 43.909 6.911 7.770 1.00 0.00 C ATOM 625 NZ LYS A 23 43.304 7.043 6.418 1.00 0.00 N ATOM 0 H LYS A 23 40.343 4.009 8.842 1.00 0.00 H new ATOM 0 HA LYS A 23 43.251 4.354 8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 23 41.225 5.345 10.685 1.00 0.00 H new ATOM 0 HB3 LYS A 23 42.933 5.735 10.673 1.00 0.00 H new ATOM 0 HG2 LYS A 23 41.393 6.348 8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 23 41.045 7.333 9.583 1.00 0.00 H new ATOM 0 HD2 LYS A 23 42.757 8.535 8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.629 7.622 9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 23 44.889 7.387 7.774 1.00 0.00 H new ATOM 0 HE3 LYS A 23 44.066 5.856 7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 43.055 6.101 6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 42.447 7.629 6.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 43.987 7.492 5.774 1.00 0.00 H new ATOM 639 N LEU A 24 41.943 1.981 10.183 1.00 0.00 N ATOM 640 CA LEU A 24 42.220 0.824 11.016 1.00 0.00 C ATOM 641 C LEU A 24 43.514 0.169 10.570 1.00 0.00 C ATOM 642 O LEU A 24 43.641 -0.264 9.421 1.00 0.00 O ATOM 643 CB LEU A 24 41.066 -0.183 10.980 1.00 0.00 C ATOM 644 CG LEU A 24 39.811 0.206 11.767 1.00 0.00 C ATOM 645 CD1 LEU A 24 38.737 -0.859 11.620 1.00 0.00 C ATOM 646 CD2 LEU A 24 40.148 0.427 13.239 1.00 0.00 C ATOM 0 H LEU A 24 41.141 1.878 9.561 1.00 0.00 H new ATOM 0 HA LEU A 24 42.325 1.162 12.047 1.00 0.00 H new ATOM 0 HB2 LEU A 24 40.783 -0.344 9.940 1.00 0.00 H new ATOM 0 HB3 LEU A 24 41.430 -1.136 11.363 1.00 0.00 H new ATOM 0 HG LEU A 24 39.426 1.141 11.359 1.00 0.00 H new ATOM 0 HD11 LEU A 24 37.853 -0.565 12.186 1.00 0.00 H new ATOM 0 HD12 LEU A 24 38.474 -0.968 10.568 1.00 0.00 H new ATOM 0 HD13 LEU A 24 39.112 -1.809 12.001 1.00 0.00 H new ATOM 0 HD21 LEU A 24 39.244 0.703 13.782 1.00 0.00 H new ATOM 0 HD22 LEU A 24 40.559 -0.491 13.660 1.00 0.00 H new ATOM 0 HD23 LEU A 24 40.883 1.227 13.328 1.00 0.00 H new ATOM 658 N GLY A 25 44.477 0.124 11.470 1.00 0.00 N ATOM 659 CA GLY A 25 45.770 -0.430 11.145 1.00 0.00 C ATOM 660 C GLY A 25 46.717 0.628 10.617 1.00 0.00 C ATOM 661 O GLY A 25 47.846 0.329 10.233 1.00 0.00 O ATOM 0 H GLY A 25 44.386 0.464 12.427 1.00 0.00 H new ATOM 0 HA2 GLY A 25 46.201 -0.893 12.033 1.00 0.00 H new ATOM 0 HA3 GLY A 25 45.652 -1.217 10.400 1.00 0.00 H new ATOM 665 N GLN A 26 46.249 1.865 10.591 1.00 0.00 N ATOM 666 CA GLN A 26 47.046 2.984 10.112 1.00 0.00 C ATOM 667 C GLN A 26 47.812 3.611 11.262 1.00 0.00 C ATOM 668 O GLN A 26 47.230 3.933 12.298 1.00 0.00 O ATOM 669 CB GLN A 26 46.141 4.035 9.467 1.00 0.00 C ATOM 670 CG GLN A 26 46.873 5.271 8.982 1.00 0.00 C ATOM 671 CD GLN A 26 47.495 5.095 7.624 1.00 0.00 C ATOM 672 OE1 GLN A 26 46.758 5.463 6.602 1.00 0.00 O flip ATOM 673 NE2 GLN A 26 48.634 4.655 7.500 1.00 0.00 N flip ATOM 0 H GLN A 26 45.311 2.122 10.899 1.00 0.00 H new ATOM 0 HA GLN A 26 47.754 2.615 9.370 1.00 0.00 H new ATOM 0 HB2 GLN A 26 45.619 3.581 8.624 1.00 0.00 H new ATOM 0 HB3 GLN A 26 45.381 4.336 10.188 1.00 0.00 H new ATOM 0 HG2 GLN A 26 46.177 6.109 8.950 1.00 0.00 H new ATOM 0 HG3 GLN A 26 47.651 5.530 9.700 1.00 0.00 H new ATOM 0 HE21 GLN A 26 49.168 4.382 8.325 1.00 0.00 H new ATOM 0 HE22 GLN A 26 49.047 4.562 6.572 1.00 0.00 H new ATOM 682 N VAL A 27 49.109 3.788 11.077 1.00 0.00 N ATOM 683 CA VAL A 27 49.953 4.368 12.107 1.00 0.00 C ATOM 684 C VAL A 27 50.199 5.851 11.832 1.00 0.00 C ATOM 685 O VAL A 27 50.522 6.241 10.706 1.00 0.00 O ATOM 686 CB VAL A 27 51.316 3.639 12.200 1.00 0.00 C ATOM 687 CG1 VAL A 27 52.125 4.151 13.382 1.00 0.00 C ATOM 688 CG2 VAL A 27 51.121 2.134 12.294 1.00 0.00 C ATOM 0 H VAL A 27 49.602 3.537 10.220 1.00 0.00 H new ATOM 0 HA VAL A 27 49.427 4.253 13.055 1.00 0.00 H new ATOM 0 HB VAL A 27 51.874 3.853 11.288 1.00 0.00 H new ATOM 0 HG11 VAL A 27 53.078 3.624 13.426 1.00 0.00 H new ATOM 0 HG12 VAL A 27 52.306 5.219 13.263 1.00 0.00 H new ATOM 0 HG13 VAL A 27 51.571 3.977 14.305 1.00 0.00 H new ATOM 0 HG21 VAL A 27 52.093 1.645 12.358 1.00 0.00 H new ATOM 0 HG22 VAL A 27 50.536 1.898 13.183 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.594 1.779 11.408 1.00 0.00 H new ATOM 698 N GLY A 28 50.035 6.662 12.853 1.00 0.00 N ATOM 699 CA GLY A 28 50.272 8.078 12.734 1.00 0.00 C ATOM 700 C GLY A 28 50.886 8.635 13.993 1.00 0.00 C ATOM 701 O GLY A 28 51.137 7.889 14.939 1.00 0.00 O ATOM 0 H GLY A 28 49.736 6.360 13.780 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.933 8.269 11.888 1.00 0.00 H new ATOM 0 HA3 GLY A 28 49.333 8.591 12.527 1.00 0.00 H new ATOM 705 N GLN A 29 51.123 9.926 14.024 1.00 0.00 N ATOM 706 CA GLN A 29 51.711 10.550 15.195 1.00 0.00 C ATOM 707 C GLN A 29 50.724 11.501 15.859 1.00 0.00 C ATOM 708 O GLN A 29 50.007 12.243 15.176 1.00 0.00 O ATOM 709 CB GLN A 29 52.991 11.302 14.821 1.00 0.00 C ATOM 710 CG GLN A 29 53.677 11.968 16.007 1.00 0.00 C ATOM 711 CD GLN A 29 54.889 12.779 15.606 1.00 0.00 C ATOM 712 OE1 GLN A 29 54.783 13.969 15.306 1.00 0.00 O ATOM 713 NE2 GLN A 29 56.047 12.152 15.609 1.00 0.00 N ATOM 0 H GLN A 29 50.920 10.566 13.256 1.00 0.00 H new ATOM 0 HA GLN A 29 51.961 9.760 15.903 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.687 10.606 14.353 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.752 12.062 14.077 1.00 0.00 H new ATOM 0 HG2 GLN A 29 52.964 12.617 16.515 1.00 0.00 H new ATOM 0 HG3 GLN A 29 53.978 11.203 16.723 1.00 0.00 H new ATOM 0 HE21 GLN A 29 56.092 11.165 15.864 1.00 0.00 H new ATOM 0 HE22 GLN A 29 56.899 12.653 15.357 1.00 0.00 H new ATOM 722 N ILE A 30 50.676 11.462 17.184 1.00 0.00 N ATOM 723 CA ILE A 30 49.829 12.363 17.946 1.00 0.00 C ATOM 724 C ILE A 30 50.388 13.772 17.856 1.00 0.00 C ATOM 725 O ILE A 30 51.408 14.076 18.470 1.00 0.00 O ATOM 726 CB ILE A 30 49.764 11.962 19.441 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.273 10.522 19.596 1.00 0.00 C ATOM 728 CG2 ILE A 30 48.859 12.923 20.213 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.229 10.045 21.035 1.00 0.00 C ATOM 0 H ILE A 30 51.217 10.812 17.754 1.00 0.00 H new ATOM 0 HA ILE A 30 48.825 12.309 17.525 1.00 0.00 H new ATOM 0 HB ILE A 30 50.770 12.025 19.856 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.276 10.439 19.164 1.00 0.00 H new ATOM 0 HG13 ILE A 30 49.924 9.862 19.023 1.00 0.00 H new ATOM 0 HG21 ILE A 30 48.824 12.627 21.261 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.253 13.936 20.135 1.00 0.00 H new ATOM 0 HG23 ILE A 30 47.853 12.892 19.794 1.00 0.00 H new ATOM 0 HD11 ILE A 30 48.871 9.016 21.066 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.229 10.095 21.466 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.555 10.681 21.609 1.00 0.00 H new ATOM 741 N THR A 31 49.743 14.616 17.085 1.00 0.00 N ATOM 742 CA THR A 31 50.200 15.975 16.932 1.00 0.00 C ATOM 743 C THR A 31 49.529 16.904 17.928 1.00 0.00 C ATOM 744 O THR A 31 49.972 18.034 18.133 1.00 0.00 O ATOM 745 CB THR A 31 49.982 16.479 15.508 1.00 0.00 C ATOM 746 OG1 THR A 31 48.663 16.126 15.057 1.00 0.00 O ATOM 747 CG2 THR A 31 51.026 15.894 14.569 1.00 0.00 C ATOM 0 H THR A 31 48.902 14.385 16.556 1.00 0.00 H new ATOM 0 HA THR A 31 51.271 15.975 17.135 1.00 0.00 H new ATOM 0 HB THR A 31 50.082 17.564 15.506 1.00 0.00 H new ATOM 0 HG1 THR A 31 48.723 15.688 14.183 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.855 16.264 13.558 1.00 0.00 H new ATOM 0 HG22 THR A 31 52.021 16.191 14.901 1.00 0.00 H new ATOM 0 HG23 THR A 31 50.952 14.807 14.574 1.00 0.00 H new ATOM 755 N GLY A 32 48.470 16.421 18.555 1.00 0.00 N ATOM 756 CA GLY A 32 47.769 17.206 19.541 1.00 0.00 C ATOM 757 C GLY A 32 46.542 16.493 20.047 1.00 0.00 C ATOM 758 O GLY A 32 46.162 15.452 19.513 1.00 0.00 O ATOM 0 H GLY A 32 48.082 15.491 18.395 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.435 17.422 20.376 1.00 0.00 H new ATOM 0 HA3 GLY A 32 47.481 18.164 19.107 1.00 0.00 H new ATOM 762 N PHE A 33 45.927 17.034 21.075 1.00 0.00 N ATOM 763 CA PHE A 33 44.726 16.443 21.627 1.00 0.00 C ATOM 764 C PHE A 33 43.525 17.325 21.343 1.00 0.00 C ATOM 765 O PHE A 33 43.658 18.538 21.164 1.00 0.00 O ATOM 766 CB PHE A 33 44.875 16.193 23.129 1.00 0.00 C ATOM 767 CG PHE A 33 45.891 15.132 23.466 1.00 0.00 C ATOM 768 CD1 PHE A 33 45.586 13.790 23.306 1.00 0.00 C ATOM 769 CD2 PHE A 33 47.148 15.477 23.936 1.00 0.00 C ATOM 770 CE1 PHE A 33 46.515 12.813 23.612 1.00 0.00 C ATOM 771 CE2 PHE A 33 48.080 14.504 24.245 1.00 0.00 C ATOM 772 CZ PHE A 33 47.762 13.170 24.082 1.00 0.00 C ATOM 0 H PHE A 33 46.238 17.883 21.547 1.00 0.00 H new ATOM 0 HA PHE A 33 44.568 15.478 21.145 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.160 17.125 23.618 1.00 0.00 H new ATOM 0 HB3 PHE A 33 43.908 15.901 23.538 1.00 0.00 H new ATOM 0 HD1 PHE A 33 44.612 13.504 22.938 1.00 0.00 H new ATOM 0 HD2 PHE A 33 47.403 16.519 24.062 1.00 0.00 H new ATOM 0 HE1 PHE A 33 46.265 11.770 23.483 1.00 0.00 H new ATOM 0 HE2 PHE A 33 49.055 14.787 24.613 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.488 12.408 24.322 1.00 0.00 H new ATOM 782 N LYS A 34 42.364 16.720 21.299 1.00 0.00 N ATOM 783 CA LYS A 34 41.138 17.424 20.987 1.00 0.00 C ATOM 784 C LYS A 34 40.124 17.221 22.097 1.00 0.00 C ATOM 785 O LYS A 34 40.108 16.178 22.734 1.00 0.00 O ATOM 786 CB LYS A 34 40.566 16.887 19.673 1.00 0.00 C ATOM 787 CG LYS A 34 39.403 17.682 19.132 1.00 0.00 C ATOM 788 CD LYS A 34 38.808 17.029 17.897 1.00 0.00 C ATOM 789 CE LYS A 34 37.554 17.753 17.439 1.00 0.00 C ATOM 790 NZ LYS A 34 37.805 19.193 17.183 1.00 0.00 N ATOM 0 H LYS A 34 42.239 15.724 21.478 1.00 0.00 H new ATOM 0 HA LYS A 34 41.352 18.488 20.890 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.359 16.870 18.925 1.00 0.00 H new ATOM 0 HB3 LYS A 34 40.247 15.855 19.823 1.00 0.00 H new ATOM 0 HG2 LYS A 34 38.636 17.775 19.901 1.00 0.00 H new ATOM 0 HG3 LYS A 34 39.734 18.691 18.887 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.544 17.028 17.093 1.00 0.00 H new ATOM 0 HD3 LYS A 34 38.571 15.987 18.113 1.00 0.00 H new ATOM 0 HE2 LYS A 34 37.176 17.284 16.531 1.00 0.00 H new ATOM 0 HE3 LYS A 34 36.778 17.650 18.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 36.990 19.604 16.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 37.943 19.688 18.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 38.658 19.298 16.598 1.00 0.00 H new ATOM 804 N MET A 35 39.290 18.205 22.336 1.00 0.00 N ATOM 805 CA MET A 35 38.256 18.051 23.333 1.00 0.00 C ATOM 806 C MET A 35 37.019 17.461 22.678 1.00 0.00 C ATOM 807 O MET A 35 36.571 17.938 21.631 1.00 0.00 O ATOM 808 CB MET A 35 37.924 19.387 24.027 1.00 0.00 C ATOM 809 CG MET A 35 37.245 20.414 23.135 1.00 0.00 C ATOM 810 SD MET A 35 36.773 21.904 24.028 1.00 0.00 S ATOM 811 CE MET A 35 35.935 22.809 22.736 1.00 0.00 C ATOM 0 H MET A 35 39.305 19.108 21.862 1.00 0.00 H new ATOM 0 HA MET A 35 38.619 17.376 24.108 1.00 0.00 H new ATOM 0 HB2 MET A 35 37.279 19.186 24.883 1.00 0.00 H new ATOM 0 HB3 MET A 35 38.846 19.817 24.417 1.00 0.00 H new ATOM 0 HG2 MET A 35 37.917 20.681 22.319 1.00 0.00 H new ATOM 0 HG3 MET A 35 36.358 19.969 22.685 1.00 0.00 H new ATOM 0 HE1 MET A 35 35.580 23.761 23.130 1.00 0.00 H new ATOM 0 HE2 MET A 35 36.626 22.992 21.913 1.00 0.00 H new ATOM 0 HE3 MET A 35 35.087 22.227 22.375 1.00 0.00 H new ATOM 821 N THR A 36 36.497 16.409 23.258 1.00 0.00 N ATOM 822 CA THR A 36 35.322 15.774 22.719 1.00 0.00 C ATOM 823 C THR A 36 34.203 15.784 23.745 1.00 0.00 C ATOM 824 O THR A 36 34.255 15.070 24.750 1.00 0.00 O ATOM 825 CB THR A 36 35.619 14.334 22.257 1.00 0.00 C ATOM 826 OG1 THR A 36 36.232 13.587 23.322 1.00 0.00 O ATOM 827 CG2 THR A 36 36.539 14.332 21.043 1.00 0.00 C ATOM 0 H THR A 36 36.868 15.975 24.103 1.00 0.00 H new ATOM 0 HA THR A 36 35.005 16.342 21.844 1.00 0.00 H new ATOM 0 HB THR A 36 34.673 13.867 21.982 1.00 0.00 H new ATOM 0 HG1 THR A 36 35.798 13.812 24.171 1.00 0.00 H new ATOM 0 HG21 THR A 36 36.734 13.304 20.736 1.00 0.00 H new ATOM 0 HG22 THR A 36 36.062 14.871 20.224 1.00 0.00 H new ATOM 0 HG23 THR A 36 37.480 14.819 21.299 1.00 0.00 H new ATOM 835 N ASP A 37 33.203 16.602 23.487 1.00 0.00 N ATOM 836 CA ASP A 37 32.080 16.782 24.398 1.00 0.00 C ATOM 837 C ASP A 37 31.346 15.469 24.676 1.00 0.00 C ATOM 838 O ASP A 37 30.680 14.914 23.798 1.00 0.00 O ATOM 839 CB ASP A 37 31.108 17.820 23.830 1.00 0.00 C ATOM 840 CG ASP A 37 29.931 18.085 24.745 1.00 0.00 C ATOM 841 OD1 ASP A 37 30.069 18.905 25.678 1.00 0.00 O ATOM 842 OD2 ASP A 37 28.863 17.485 24.533 1.00 0.00 O ATOM 0 H ASP A 37 33.142 17.164 22.638 1.00 0.00 H new ATOM 0 HA ASP A 37 32.481 17.136 25.348 1.00 0.00 H new ATOM 0 HB2 ASP A 37 31.643 18.753 23.654 1.00 0.00 H new ATOM 0 HB3 ASP A 37 30.740 17.476 22.863 1.00 0.00 H new ATOM 847 N GLY A 38 31.501 14.962 25.894 1.00 0.00 N ATOM 848 CA GLY A 38 30.791 13.766 26.298 1.00 0.00 C ATOM 849 C GLY A 38 31.647 12.514 26.282 1.00 0.00 C ATOM 850 O GLY A 38 31.380 11.566 27.025 1.00 0.00 O ATOM 0 H GLY A 38 32.108 15.361 26.610 1.00 0.00 H new ATOM 0 HA2 GLY A 38 30.395 13.912 27.303 1.00 0.00 H new ATOM 0 HA3 GLY A 38 29.937 13.620 25.636 1.00 0.00 H new ATOM 854 N SER A 39 32.663 12.496 25.446 1.00 0.00 N ATOM 855 CA SER A 39 33.518 11.327 25.333 1.00 0.00 C ATOM 856 C SER A 39 34.875 11.542 26.002 1.00 0.00 C ATOM 857 O SER A 39 35.707 10.632 26.052 1.00 0.00 O ATOM 858 CB SER A 39 33.683 10.937 23.868 1.00 0.00 C ATOM 859 OG SER A 39 33.926 12.079 23.066 1.00 0.00 O ATOM 0 H SER A 39 32.919 13.272 24.836 1.00 0.00 H new ATOM 0 HA SER A 39 33.033 10.507 25.862 1.00 0.00 H new ATOM 0 HB2 SER A 39 34.509 10.233 23.766 1.00 0.00 H new ATOM 0 HB3 SER A 39 32.785 10.427 23.520 1.00 0.00 H new ATOM 0 HG SER A 39 34.790 12.472 23.310 1.00 0.00 H new ATOM 865 N GLY A 40 35.095 12.737 26.518 1.00 0.00 N ATOM 866 CA GLY A 40 36.342 13.025 27.189 1.00 0.00 C ATOM 867 C GLY A 40 37.319 13.750 26.297 1.00 0.00 C ATOM 868 O GLY A 40 37.031 14.851 25.805 1.00 0.00 O ATOM 0 H GLY A 40 34.434 13.513 26.485 1.00 0.00 H new ATOM 0 HA2 GLY A 40 36.144 13.629 28.074 1.00 0.00 H new ATOM 0 HA3 GLY A 40 36.790 12.093 27.533 1.00 0.00 H new ATOM 872 N VAL A 41 38.465 13.145 26.072 1.00 0.00 N ATOM 873 CA VAL A 41 39.489 13.748 25.247 1.00 0.00 C ATOM 874 C VAL A 41 39.759 12.892 24.019 1.00 0.00 C ATOM 875 O VAL A 41 39.886 11.669 24.112 1.00 0.00 O ATOM 876 CB VAL A 41 40.812 13.957 26.034 1.00 0.00 C ATOM 877 CG1 VAL A 41 41.855 14.648 25.166 1.00 0.00 C ATOM 878 CG2 VAL A 41 40.564 14.759 27.303 1.00 0.00 C ATOM 0 H VAL A 41 38.712 12.231 26.451 1.00 0.00 H new ATOM 0 HA VAL A 41 39.118 14.724 24.936 1.00 0.00 H new ATOM 0 HB VAL A 41 41.194 12.976 26.315 1.00 0.00 H new ATOM 0 HG11 VAL A 41 42.773 14.784 25.738 1.00 0.00 H new ATOM 0 HG12 VAL A 41 42.062 14.035 24.289 1.00 0.00 H new ATOM 0 HG13 VAL A 41 41.478 15.620 24.849 1.00 0.00 H new ATOM 0 HG21 VAL A 41 41.504 14.893 27.838 1.00 0.00 H new ATOM 0 HG22 VAL A 41 40.152 15.734 27.043 1.00 0.00 H new ATOM 0 HG23 VAL A 41 39.858 14.225 27.939 1.00 0.00 H new ATOM 888 N GLY A 42 39.826 13.537 22.876 1.00 0.00 N ATOM 889 CA GLY A 42 40.122 12.852 21.653 1.00 0.00 C ATOM 890 C GLY A 42 41.552 13.084 21.245 1.00 0.00 C ATOM 891 O GLY A 42 42.167 14.066 21.659 1.00 0.00 O ATOM 0 H GLY A 42 39.677 14.541 22.775 1.00 0.00 H new ATOM 0 HA2 GLY A 42 39.943 11.784 21.776 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.453 13.199 20.865 1.00 0.00 H new ATOM 895 N VAL A 43 42.085 12.201 20.453 1.00 0.00 N ATOM 896 CA VAL A 43 43.457 12.298 20.024 1.00 0.00 C ATOM 897 C VAL A 43 43.532 12.669 18.552 1.00 0.00 C ATOM 898 O VAL A 43 43.026 11.941 17.697 1.00 0.00 O ATOM 899 CB VAL A 43 44.197 10.961 20.242 1.00 0.00 C ATOM 900 CG1 VAL A 43 45.685 11.119 19.985 1.00 0.00 C ATOM 901 CG2 VAL A 43 43.943 10.429 21.641 1.00 0.00 C ATOM 0 H VAL A 43 41.585 11.392 20.084 1.00 0.00 H new ATOM 0 HA VAL A 43 43.934 13.075 20.621 1.00 0.00 H new ATOM 0 HB VAL A 43 43.807 10.236 19.527 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.185 10.164 20.145 1.00 0.00 H new ATOM 0 HG12 VAL A 43 45.844 11.444 18.957 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.095 11.862 20.668 1.00 0.00 H new ATOM 0 HG21 VAL A 43 44.474 9.486 21.774 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.299 11.152 22.375 1.00 0.00 H new ATOM 0 HG23 VAL A 43 42.874 10.266 21.780 1.00 0.00 H new ATOM 911 N ILE A 44 44.148 13.804 18.257 1.00 0.00 N ATOM 912 CA ILE A 44 44.322 14.233 16.884 1.00 0.00 C ATOM 913 C ILE A 44 45.589 13.609 16.325 1.00 0.00 C ATOM 914 O ILE A 44 46.708 14.022 16.659 1.00 0.00 O ATOM 915 CB ILE A 44 44.388 15.774 16.756 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.090 16.400 17.254 1.00 0.00 C ATOM 917 CG2 ILE A 44 44.654 16.183 15.310 1.00 0.00 C ATOM 918 CD1 ILE A 44 43.091 17.914 17.221 1.00 0.00 C ATOM 0 H ILE A 44 44.535 14.442 18.952 1.00 0.00 H new ATOM 0 HA ILE A 44 43.454 13.902 16.314 1.00 0.00 H new ATOM 0 HB ILE A 44 45.211 16.137 17.372 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.263 16.033 16.646 1.00 0.00 H new ATOM 0 HG13 ILE A 44 42.906 16.068 18.276 1.00 0.00 H new ATOM 0 HG21 ILE A 44 44.697 17.270 15.241 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.604 15.761 14.981 1.00 0.00 H new ATOM 0 HG23 ILE A 44 43.852 15.810 14.673 1.00 0.00 H new ATOM 0 HD11 ILE A 44 42.135 18.287 17.590 1.00 0.00 H new ATOM 0 HD12 ILE A 44 43.895 18.291 17.852 1.00 0.00 H new ATOM 0 HD13 ILE A 44 43.243 18.256 16.197 1.00 0.00 H new ATOM 930 N VAL A 45 45.411 12.602 15.503 1.00 0.00 N ATOM 931 CA VAL A 45 46.524 11.868 14.957 1.00 0.00 C ATOM 932 C VAL A 45 46.768 12.239 13.504 1.00 0.00 C ATOM 933 O VAL A 45 45.850 12.207 12.680 1.00 0.00 O ATOM 934 CB VAL A 45 46.280 10.347 15.043 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.534 9.577 14.669 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.797 9.955 16.430 1.00 0.00 C ATOM 0 H VAL A 45 44.496 12.271 15.196 1.00 0.00 H new ATOM 0 HA VAL A 45 47.400 12.132 15.550 1.00 0.00 H new ATOM 0 HB VAL A 45 45.499 10.088 14.328 1.00 0.00 H new ATOM 0 HG11 VAL A 45 47.338 8.507 14.737 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.825 9.829 13.649 1.00 0.00 H new ATOM 0 HG13 VAL A 45 48.341 9.842 15.352 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.632 8.878 16.467 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.549 10.232 17.169 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.864 10.473 16.650 1.00 0.00 H new ATOM 946 N THR A 46 47.994 12.606 13.199 1.00 0.00 N ATOM 947 CA THR A 46 48.381 12.899 11.844 1.00 0.00 C ATOM 948 C THR A 46 49.016 11.656 11.238 1.00 0.00 C ATOM 949 O THR A 46 50.114 11.251 11.628 1.00 0.00 O ATOM 950 CB THR A 46 49.363 14.087 11.786 1.00 0.00 C ATOM 951 OG1 THR A 46 48.781 15.220 12.458 1.00 0.00 O ATOM 952 CG2 THR A 46 49.675 14.464 10.341 1.00 0.00 C ATOM 0 H THR A 46 48.744 12.708 13.883 1.00 0.00 H new ATOM 0 HA THR A 46 47.496 13.181 11.274 1.00 0.00 H new ATOM 0 HB THR A 46 50.291 13.794 12.277 1.00 0.00 H new ATOM 0 HG1 THR A 46 49.229 16.041 12.163 1.00 0.00 H new ATOM 0 HG21 THR A 46 50.369 15.304 10.326 1.00 0.00 H new ATOM 0 HG22 THR A 46 50.125 13.612 9.832 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.754 14.746 9.831 1.00 0.00 H new ATOM 960 N PHE A 47 48.304 11.036 10.318 1.00 0.00 N ATOM 961 CA PHE A 47 48.749 9.792 9.716 1.00 0.00 C ATOM 962 C PHE A 47 49.613 10.038 8.492 1.00 0.00 C ATOM 963 O PHE A 47 49.896 11.183 8.134 1.00 0.00 O ATOM 964 CB PHE A 47 47.548 8.933 9.331 1.00 0.00 C ATOM 965 CG PHE A 47 46.640 8.598 10.479 1.00 0.00 C ATOM 966 CD1 PHE A 47 46.924 7.535 11.318 1.00 0.00 C ATOM 967 CD2 PHE A 47 45.498 9.340 10.711 1.00 0.00 C ATOM 968 CE1 PHE A 47 46.085 7.218 12.366 1.00 0.00 C ATOM 969 CE2 PHE A 47 44.656 9.026 11.754 1.00 0.00 C ATOM 970 CZ PHE A 47 44.949 7.965 12.582 1.00 0.00 C ATOM 0 H PHE A 47 47.408 11.375 9.968 1.00 0.00 H new ATOM 0 HA PHE A 47 49.352 9.267 10.457 1.00 0.00 H new ATOM 0 HB2 PHE A 47 46.972 9.455 8.567 1.00 0.00 H new ATOM 0 HB3 PHE A 47 47.907 8.006 8.883 1.00 0.00 H new ATOM 0 HD1 PHE A 47 47.814 6.946 11.150 1.00 0.00 H new ATOM 0 HD2 PHE A 47 45.263 10.175 10.068 1.00 0.00 H new ATOM 0 HE1 PHE A 47 46.318 6.387 13.015 1.00 0.00 H new ATOM 0 HE2 PHE A 47 43.765 9.612 11.923 1.00 0.00 H new ATOM 0 HZ PHE A 47 44.288 7.719 13.400 1.00 0.00 H new ATOM 980 N ASP A 48 50.004 8.944 7.838 1.00 0.00 N ATOM 981 CA ASP A 48 50.844 8.991 6.640 1.00 0.00 C ATOM 982 C ASP A 48 50.132 9.715 5.490 1.00 0.00 C ATOM 983 O ASP A 48 50.765 10.176 4.542 1.00 0.00 O ATOM 984 CB ASP A 48 51.223 7.570 6.225 1.00 0.00 C ATOM 985 CG ASP A 48 52.149 7.524 5.026 1.00 0.00 C ATOM 986 OD1 ASP A 48 53.379 7.660 5.215 1.00 0.00 O ATOM 987 OD2 ASP A 48 51.656 7.327 3.894 1.00 0.00 O ATOM 0 H ASP A 48 49.747 7.999 8.124 1.00 0.00 H new ATOM 0 HA ASP A 48 51.749 9.552 6.872 1.00 0.00 H new ATOM 0 HB2 ASP A 48 51.703 7.069 7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 48 50.316 7.011 5.997 1.00 0.00 H new ATOM 992 N ASP A 49 48.811 9.826 5.598 1.00 0.00 N ATOM 993 CA ASP A 49 48.003 10.527 4.595 1.00 0.00 C ATOM 994 C ASP A 49 48.225 12.034 4.690 1.00 0.00 C ATOM 995 O ASP A 49 47.678 12.802 3.897 1.00 0.00 O ATOM 996 CB ASP A 49 46.505 10.241 4.804 1.00 0.00 C ATOM 997 CG ASP A 49 46.172 8.768 4.859 1.00 0.00 C ATOM 998 OD1 ASP A 49 46.118 8.118 3.793 1.00 0.00 O ATOM 999 OD2 ASP A 49 45.951 8.252 5.971 1.00 0.00 O ATOM 0 H ASP A 49 48.272 9.439 6.372 1.00 0.00 H new ATOM 0 HA ASP A 49 48.311 10.167 3.613 1.00 0.00 H new ATOM 0 HB2 ASP A 49 46.179 10.713 5.731 1.00 0.00 H new ATOM 0 HB3 ASP A 49 45.939 10.703 3.995 1.00 0.00 H new ATOM 1004 N ARG A 50 49.020 12.445 5.697 1.00 0.00 N ATOM 1005 CA ARG A 50 49.313 13.858 5.986 1.00 0.00 C ATOM 1006 C ARG A 50 48.083 14.557 6.551 1.00 0.00 C ATOM 1007 O ARG A 50 48.101 15.755 6.833 1.00 0.00 O ATOM 1008 CB ARG A 50 49.845 14.603 4.749 1.00 0.00 C ATOM 1009 CG ARG A 50 51.186 14.086 4.246 1.00 0.00 C ATOM 1010 CD ARG A 50 51.725 14.951 3.118 1.00 0.00 C ATOM 1011 NE ARG A 50 50.817 14.989 1.973 1.00 0.00 N ATOM 1012 CZ ARG A 50 50.654 16.045 1.169 1.00 0.00 C ATOM 1013 NH1 ARG A 50 51.361 17.154 1.366 1.00 0.00 N ATOM 1014 NH2 ARG A 50 49.783 15.985 0.169 1.00 0.00 N ATOM 0 H ARG A 50 49.480 11.798 6.337 1.00 0.00 H new ATOM 0 HA ARG A 50 50.102 13.878 6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 50 49.112 14.524 3.946 1.00 0.00 H new ATOM 0 HB3 ARG A 50 49.942 15.662 4.989 1.00 0.00 H new ATOM 0 HG2 ARG A 50 51.902 14.068 5.067 1.00 0.00 H new ATOM 0 HG3 ARG A 50 51.075 13.059 3.898 1.00 0.00 H new ATOM 0 HD2 ARG A 50 51.888 15.964 3.485 1.00 0.00 H new ATOM 0 HD3 ARG A 50 52.694 14.568 2.799 1.00 0.00 H new ATOM 0 HE ARG A 50 50.270 14.152 1.773 1.00 0.00 H new ATOM 0 HH11 ARG A 50 52.031 17.202 2.133 1.00 0.00 H new ATOM 0 HH12 ARG A 50 51.233 17.957 0.750 1.00 0.00 H new ATOM 0 HH21 ARG A 50 49.240 15.135 0.016 1.00 0.00 H new ATOM 0 HH22 ARG A 50 49.656 16.789 -0.446 1.00 0.00 H new ATOM 1028 N SER A 51 47.028 13.793 6.731 1.00 0.00 N ATOM 1029 CA SER A 51 45.794 14.301 7.261 1.00 0.00 C ATOM 1030 C SER A 51 45.667 13.942 8.732 1.00 0.00 C ATOM 1031 O SER A 51 46.046 12.840 9.152 1.00 0.00 O ATOM 1032 CB SER A 51 44.617 13.730 6.471 1.00 0.00 C ATOM 1033 OG SER A 51 44.774 13.975 5.081 1.00 0.00 O ATOM 0 H SER A 51 47.008 12.797 6.511 1.00 0.00 H new ATOM 0 HA SER A 51 45.788 15.387 7.169 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.540 12.657 6.649 1.00 0.00 H new ATOM 0 HB3 SER A 51 43.687 14.178 6.821 1.00 0.00 H new ATOM 0 HG SER A 51 44.011 13.600 4.594 1.00 0.00 H new ATOM 1039 N SER A 52 45.149 14.864 9.512 1.00 0.00 N ATOM 1040 CA SER A 52 44.960 14.643 10.918 1.00 0.00 C ATOM 1041 C SER A 52 43.515 14.269 11.202 1.00 0.00 C ATOM 1042 O SER A 52 42.589 14.982 10.806 1.00 0.00 O ATOM 1043 CB SER A 52 45.363 15.890 11.706 1.00 0.00 C ATOM 1044 OG SER A 52 44.756 17.056 11.162 1.00 0.00 O ATOM 0 H SER A 52 44.850 15.783 9.186 1.00 0.00 H new ATOM 0 HA SER A 52 45.596 13.816 11.235 1.00 0.00 H new ATOM 0 HB2 SER A 52 45.069 15.776 12.749 1.00 0.00 H new ATOM 0 HB3 SER A 52 46.447 15.999 11.691 1.00 0.00 H new ATOM 0 HG SER A 52 43.832 16.855 10.906 1.00 0.00 H new ATOM 1050 N THR A 53 43.329 13.152 11.859 1.00 0.00 N ATOM 1051 CA THR A 53 42.011 12.676 12.205 1.00 0.00 C ATOM 1052 C THR A 53 41.972 12.374 13.696 1.00 0.00 C ATOM 1053 O THR A 53 42.955 11.887 14.258 1.00 0.00 O ATOM 1054 CB THR A 53 41.666 11.405 11.397 1.00 0.00 C ATOM 1055 OG1 THR A 53 42.051 11.597 10.028 1.00 0.00 O ATOM 1056 CG2 THR A 53 40.175 11.101 11.458 1.00 0.00 C ATOM 0 H THR A 53 44.088 12.545 12.170 1.00 0.00 H new ATOM 0 HA THR A 53 41.274 13.443 11.964 1.00 0.00 H new ATOM 0 HB THR A 53 42.207 10.565 11.831 1.00 0.00 H new ATOM 0 HG1 THR A 53 41.836 10.792 9.512 1.00 0.00 H new ATOM 0 HG21 THR A 53 39.963 10.201 10.880 1.00 0.00 H new ATOM 0 HG22 THR A 53 39.878 10.945 12.495 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.615 11.939 11.043 1.00 0.00 H new ATOM 1064 N TRP A 54 40.867 12.682 14.339 1.00 0.00 N ATOM 1065 CA TRP A 54 40.761 12.477 15.766 1.00 0.00 C ATOM 1066 C TRP A 54 40.031 11.189 16.104 1.00 0.00 C ATOM 1067 O TRP A 54 39.012 10.854 15.503 1.00 0.00 O ATOM 1068 CB TRP A 54 40.097 13.683 16.452 1.00 0.00 C ATOM 1069 CG TRP A 54 38.734 14.023 15.925 1.00 0.00 C ATOM 1070 CD1 TRP A 54 38.446 14.811 14.850 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.472 13.598 16.459 1.00 0.00 C ATOM 1072 NE1 TRP A 54 37.089 14.897 14.678 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.467 14.161 15.653 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.095 12.792 17.539 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 35.112 13.948 15.890 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 35.750 12.580 17.774 1.00 0.00 C ATOM 1077 CH2 TRP A 54 34.773 13.155 16.952 1.00 0.00 C ATOM 0 H TRP A 54 40.034 13.073 13.899 1.00 0.00 H new ATOM 0 HA TRP A 54 41.776 12.383 16.151 1.00 0.00 H new ATOM 0 HB2 TRP A 54 40.020 13.481 17.520 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.745 14.552 16.338 1.00 0.00 H new ATOM 0 HD1 TRP A 54 39.181 15.297 14.225 1.00 0.00 H new ATOM 0 HE1 TRP A 54 36.618 15.424 13.943 1.00 0.00 H new ATOM 0 HE3 TRP A 54 37.842 12.344 18.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 34.356 14.392 15.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 35.447 11.961 18.605 1.00 0.00 H new ATOM 0 HH2 TRP A 54 33.730 12.969 17.161 1.00 0.00 H new ATOM 1088 N PHE A 55 40.584 10.468 17.051 1.00 0.00 N ATOM 1089 CA PHE A 55 40.002 9.238 17.551 1.00 0.00 C ATOM 1090 C PHE A 55 39.996 9.286 19.064 1.00 0.00 C ATOM 1091 O PHE A 55 40.619 10.161 19.652 1.00 0.00 O ATOM 1092 CB PHE A 55 40.784 8.017 17.054 1.00 0.00 C ATOM 1093 CG PHE A 55 40.659 7.774 15.576 1.00 0.00 C ATOM 1094 CD1 PHE A 55 39.639 6.979 15.077 1.00 0.00 C ATOM 1095 CD2 PHE A 55 41.559 8.338 14.685 1.00 0.00 C ATOM 1096 CE1 PHE A 55 39.519 6.752 13.720 1.00 0.00 C ATOM 1097 CE2 PHE A 55 41.443 8.115 13.327 1.00 0.00 C ATOM 1098 CZ PHE A 55 40.423 7.321 12.843 1.00 0.00 C ATOM 0 H PHE A 55 41.463 10.720 17.504 1.00 0.00 H new ATOM 0 HA PHE A 55 38.982 9.144 17.180 1.00 0.00 H new ATOM 0 HB2 PHE A 55 41.837 8.146 17.303 1.00 0.00 H new ATOM 0 HB3 PHE A 55 40.436 7.133 17.588 1.00 0.00 H new ATOM 0 HD1 PHE A 55 38.930 6.532 15.758 1.00 0.00 H new ATOM 0 HD2 PHE A 55 42.360 8.959 15.057 1.00 0.00 H new ATOM 0 HE1 PHE A 55 38.720 6.130 13.345 1.00 0.00 H new ATOM 0 HE2 PHE A 55 42.150 8.562 12.644 1.00 0.00 H new ATOM 0 HZ PHE A 55 40.332 7.145 11.781 1.00 0.00 H new ATOM 1108 N PHE A 56 39.301 8.371 19.695 1.00 0.00 N ATOM 1109 CA PHE A 56 39.217 8.376 21.147 1.00 0.00 C ATOM 1110 C PHE A 56 40.520 7.891 21.784 1.00 0.00 C ATOM 1111 O PHE A 56 41.294 7.152 21.169 1.00 0.00 O ATOM 1112 CB PHE A 56 38.039 7.529 21.632 1.00 0.00 C ATOM 1113 CG PHE A 56 36.728 7.912 21.000 1.00 0.00 C ATOM 1114 CD1 PHE A 56 35.977 8.958 21.511 1.00 0.00 C ATOM 1115 CD2 PHE A 56 36.251 7.233 19.891 1.00 0.00 C ATOM 1116 CE1 PHE A 56 34.776 9.317 20.929 1.00 0.00 C ATOM 1117 CE2 PHE A 56 35.053 7.588 19.304 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.314 8.630 19.825 1.00 0.00 C ATOM 0 H PHE A 56 38.788 7.618 19.237 1.00 0.00 H new ATOM 0 HA PHE A 56 39.052 9.407 21.459 1.00 0.00 H new ATOM 0 HB2 PHE A 56 38.244 6.480 21.419 1.00 0.00 H new ATOM 0 HB3 PHE A 56 37.954 7.624 22.714 1.00 0.00 H new ATOM 0 HD1 PHE A 56 36.334 9.499 22.374 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.824 6.415 19.480 1.00 0.00 H new ATOM 0 HE1 PHE A 56 34.200 10.134 21.338 1.00 0.00 H new ATOM 0 HE2 PHE A 56 34.695 7.051 18.438 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.375 8.908 19.369 1.00 0.00 H new ATOM 1128 N GLU A 57 40.745 8.320 23.013 1.00 0.00 N ATOM 1129 CA GLU A 57 41.939 7.965 23.786 1.00 0.00 C ATOM 1130 C GLU A 57 42.105 6.442 23.943 1.00 0.00 C ATOM 1131 O GLU A 57 43.218 5.943 24.051 1.00 0.00 O ATOM 1132 CB GLU A 57 41.870 8.639 25.153 1.00 0.00 C ATOM 1133 CG GLU A 57 40.526 8.485 25.844 1.00 0.00 C ATOM 1134 CD GLU A 57 40.472 9.154 27.201 1.00 0.00 C ATOM 1135 OE1 GLU A 57 41.292 8.810 28.073 1.00 0.00 O ATOM 1136 OE2 GLU A 57 39.589 10.017 27.414 1.00 0.00 O ATOM 0 H GLU A 57 40.101 8.932 23.515 1.00 0.00 H new ATOM 0 HA GLU A 57 42.813 8.319 23.239 1.00 0.00 H new ATOM 0 HB2 GLU A 57 42.647 8.222 25.793 1.00 0.00 H new ATOM 0 HB3 GLU A 57 42.089 9.700 25.036 1.00 0.00 H new ATOM 0 HG2 GLU A 57 39.747 8.906 25.208 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.304 7.424 25.960 1.00 0.00 H new ATOM 1143 N ASP A 58 40.998 5.715 23.960 1.00 0.00 N ATOM 1144 CA ASP A 58 41.047 4.252 24.078 1.00 0.00 C ATOM 1145 C ASP A 58 40.709 3.591 22.755 1.00 0.00 C ATOM 1146 O ASP A 58 40.258 2.444 22.716 1.00 0.00 O ATOM 1147 CB ASP A 58 40.085 3.751 25.162 1.00 0.00 C ATOM 1148 CG ASP A 58 40.601 3.966 26.560 1.00 0.00 C ATOM 1149 OD1 ASP A 58 41.296 3.081 27.079 1.00 0.00 O ATOM 1150 OD2 ASP A 58 40.316 5.027 27.157 1.00 0.00 O ATOM 0 H ASP A 58 40.057 6.104 23.895 1.00 0.00 H new ATOM 0 HA ASP A 58 42.065 3.983 24.361 1.00 0.00 H new ATOM 0 HB2 ASP A 58 39.128 4.261 25.053 1.00 0.00 H new ATOM 0 HB3 ASP A 58 39.899 2.688 25.010 1.00 0.00 H new ATOM 1155 N GLU A 59 40.919 4.311 21.673 1.00 0.00 N ATOM 1156 CA GLU A 59 40.611 3.796 20.349 1.00 0.00 C ATOM 1157 C GLU A 59 41.884 3.449 19.594 1.00 0.00 C ATOM 1158 O GLU A 59 41.889 2.602 18.691 1.00 0.00 O ATOM 1159 CB GLU A 59 39.863 4.863 19.567 1.00 0.00 C ATOM 1160 CG GLU A 59 39.208 4.370 18.328 1.00 0.00 C ATOM 1161 CD GLU A 59 37.795 3.886 18.607 1.00 0.00 C ATOM 1162 OE1 GLU A 59 37.641 2.841 19.289 1.00 0.00 O ATOM 1163 OE2 GLU A 59 36.837 4.549 18.171 1.00 0.00 O ATOM 0 H GLU A 59 41.302 5.256 21.681 1.00 0.00 H new ATOM 0 HA GLU A 59 40.006 2.896 20.458 1.00 0.00 H new ATOM 0 HB2 GLU A 59 39.105 5.305 20.213 1.00 0.00 H new ATOM 0 HB3 GLU A 59 40.560 5.658 19.303 1.00 0.00 H new ATOM 0 HG2 GLU A 59 39.182 5.168 17.586 1.00 0.00 H new ATOM 0 HG3 GLU A 59 39.796 3.557 17.902 1.00 0.00 H new ATOM 1170 N VAL A 60 42.968 4.081 19.980 1.00 0.00 N ATOM 1171 CA VAL A 60 44.212 3.915 19.278 1.00 0.00 C ATOM 1172 C VAL A 60 45.291 3.325 20.184 1.00 0.00 C ATOM 1173 O VAL A 60 45.285 3.540 21.400 1.00 0.00 O ATOM 1174 CB VAL A 60 44.688 5.257 18.665 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.613 5.848 17.766 1.00 0.00 C ATOM 1176 CG2 VAL A 60 45.087 6.251 19.751 1.00 0.00 C ATOM 0 H VAL A 60 43.010 4.715 20.778 1.00 0.00 H new ATOM 0 HA VAL A 60 44.036 3.210 18.465 1.00 0.00 H new ATOM 0 HB VAL A 60 45.571 5.052 18.059 1.00 0.00 H new ATOM 0 HG11 VAL A 60 43.967 6.789 17.346 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.391 5.151 16.958 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.710 6.028 18.349 1.00 0.00 H new ATOM 0 HG21 VAL A 60 45.416 7.182 19.289 1.00 0.00 H new ATOM 0 HG22 VAL A 60 44.231 6.449 20.396 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.900 5.834 20.345 1.00 0.00 H new ATOM 1186 N GLU A 61 46.203 2.576 19.586 1.00 0.00 N ATOM 1187 CA GLU A 61 47.273 1.915 20.323 1.00 0.00 C ATOM 1188 C GLU A 61 48.580 2.651 20.123 1.00 0.00 C ATOM 1189 O GLU A 61 48.886 3.076 19.012 1.00 0.00 O ATOM 1190 CB GLU A 61 47.445 0.484 19.826 1.00 0.00 C ATOM 1191 CG GLU A 61 46.148 -0.260 19.621 1.00 0.00 C ATOM 1192 CD GLU A 61 45.356 -0.433 20.901 1.00 0.00 C ATOM 1193 OE1 GLU A 61 45.712 -1.317 21.705 1.00 0.00 O ATOM 1194 OE2 GLU A 61 44.369 0.298 21.105 1.00 0.00 O ATOM 0 H GLU A 61 46.225 2.408 18.580 1.00 0.00 H new ATOM 0 HA GLU A 61 47.007 1.914 21.380 1.00 0.00 H new ATOM 0 HB2 GLU A 61 47.993 0.502 18.884 1.00 0.00 H new ATOM 0 HB3 GLU A 61 48.057 -0.066 20.541 1.00 0.00 H new ATOM 0 HG2 GLU A 61 45.539 0.276 18.893 1.00 0.00 H new ATOM 0 HG3 GLU A 61 46.361 -1.241 19.197 1.00 0.00 H new ATOM 1201 N VAL A 62 49.352 2.784 21.181 1.00 0.00 N ATOM 1202 CA VAL A 62 50.641 3.447 21.097 1.00 0.00 C ATOM 1203 C VAL A 62 51.721 2.430 20.754 1.00 0.00 C ATOM 1204 O VAL A 62 52.004 1.525 21.542 1.00 0.00 O ATOM 1205 CB VAL A 62 51.009 4.148 22.421 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.210 5.062 22.222 1.00 0.00 C ATOM 1207 CG2 VAL A 62 49.820 4.922 22.974 1.00 0.00 C ATOM 0 H VAL A 62 49.111 2.442 22.111 1.00 0.00 H new ATOM 0 HA VAL A 62 50.573 4.204 20.316 1.00 0.00 H new ATOM 0 HB VAL A 62 51.278 3.385 23.151 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.457 5.549 23.165 1.00 0.00 H new ATOM 0 HG12 VAL A 62 53.063 4.474 21.883 1.00 0.00 H new ATOM 0 HG13 VAL A 62 51.971 5.819 21.475 1.00 0.00 H new ATOM 0 HG21 VAL A 62 50.104 5.407 23.908 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.510 5.677 22.252 1.00 0.00 H new ATOM 0 HG23 VAL A 62 48.993 4.236 23.159 1.00 0.00 H new ATOM 1217 N VAL A 63 52.305 2.568 19.578 1.00 0.00 N ATOM 1218 CA VAL A 63 53.323 1.640 19.110 1.00 0.00 C ATOM 1219 C VAL A 63 54.442 2.375 18.379 1.00 0.00 C ATOM 1220 O VAL A 63 54.189 3.222 17.521 1.00 0.00 O ATOM 1221 CB VAL A 63 52.727 0.550 18.169 1.00 0.00 C ATOM 1222 CG1 VAL A 63 51.858 -0.427 18.948 1.00 0.00 C ATOM 1223 CG2 VAL A 63 51.925 1.187 17.038 1.00 0.00 C ATOM 0 H VAL A 63 52.091 3.320 18.923 1.00 0.00 H new ATOM 0 HA VAL A 63 53.729 1.151 19.996 1.00 0.00 H new ATOM 0 HB VAL A 63 53.559 -0.003 17.733 1.00 0.00 H new ATOM 0 HG11 VAL A 63 51.454 -1.177 18.268 1.00 0.00 H new ATOM 0 HG12 VAL A 63 52.459 -0.917 19.714 1.00 0.00 H new ATOM 0 HG13 VAL A 63 51.038 0.113 19.421 1.00 0.00 H new ATOM 0 HG21 VAL A 63 51.519 0.406 16.395 1.00 0.00 H new ATOM 0 HG22 VAL A 63 51.107 1.773 17.457 1.00 0.00 H new ATOM 0 HG23 VAL A 63 52.575 1.838 16.453 1.00 0.00 H new ATOM 1233 N GLY A 64 55.669 2.066 18.726 1.00 0.00 N ATOM 1234 CA GLY A 64 56.798 2.686 18.080 1.00 0.00 C ATOM 1235 C GLY A 64 57.585 1.687 17.273 1.00 0.00 C ATOM 1236 O GLY A 64 58.183 2.075 16.251 1.00 0.00 O ATOM 1237 OXT GLY A 64 57.600 0.497 17.655 1.00 0.00 O ATOM 0 H GLY A 64 55.909 1.390 19.451 1.00 0.00 H new ATOM 0 HA2 GLY A 64 56.451 3.489 17.430 1.00 0.00 H new ATOM 0 HA3 GLY A 64 57.445 3.140 18.831 1.00 0.00 H new TER 1241 GLY A 64