USER MOD reduce.3.24.130724 H: found=0, std=0, add=649, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 647 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 74 MET CE :methyl -135:sc= -2.64 (180deg=-5.34!) USER MOD Set 1.2: A 77 THR OG1 : rot 37:sc= 0.472 USER MOD Set 2.1: A 43 GLN : amide:sc= -1.48 K(o=-1,f=-6.9!) USER MOD Set 2.2: A 49 LYS NZ :NH3+ -152:sc= 0.462 (180deg=0) USER MOD Set 3.1: A 12 GLN : amide:sc= -0.751 X(o=-0.81,f=-0.42) USER MOD Set 3.2: A 14 TYR OH : rot 0:sc= -0.0602 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -123:sc= -0.0551 (180deg=-0.493) USER MOD Single : A 5 MET CE :methyl -123:sc= -5.74! (180deg=-15!) USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0358) USER MOD Single : A 15 SER OG : rot 46:sc= 0.138 USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0376 USER MOD Single : A 18 THR OG1 : rot -30:sc= -3.59! USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -160:sc= -0.173 USER MOD Single : A 29 LYS NZ :NH3+ -135:sc= -0.0961 (180deg=-0.286) USER MOD Single : A 30 GLN : amide:sc= -0.131 K(o=-0.13,f=-2.4!) USER MOD Single : A 33 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.189) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -60:sc= 0.231 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc=-0.00863 (180deg=-0.146) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.335 K(o=-0.34,f=-1.9) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 155:sc= -0.0689 (180deg=-0.396) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 70 THR OG1 : rot -81:sc= 0.0491 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.013 0.273 -0.183 1.00 0.00 N ATOM 2 CA MET A 1 1.729 -0.016 -1.420 1.00 0.00 C ATOM 3 C MET A 1 3.209 -0.262 -1.146 1.00 0.00 C ATOM 4 O MET A 1 3.783 0.313 -0.223 1.00 0.00 O ATOM 5 CB MET A 1 1.566 1.139 -2.410 1.00 0.00 C ATOM 6 CG MET A 1 0.138 1.330 -2.892 1.00 0.00 C ATOM 7 SD MET A 1 -0.130 2.944 -3.650 1.00 0.00 S ATOM 8 CE MET A 1 -1.404 3.612 -2.582 1.00 0.00 C ATOM 0 H1 MET A 1 0.236 -0.408 -0.064 1.00 0.00 H new ATOM 0 H2 MET A 1 1.667 0.197 0.622 1.00 0.00 H new ATOM 0 H3 MET A 1 0.625 1.237 -0.224 1.00 0.00 H new ATOM 0 HA MET A 1 1.303 -0.920 -1.855 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.908 2.061 -1.940 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.211 0.962 -3.271 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.105 0.550 -3.613 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.544 1.210 -2.050 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.678 4.611 -2.923 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.281 2.965 -2.613 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.030 3.667 -1.560 1.00 0.00 H new ATOM 18 N ALA A 2 3.821 -1.121 -1.955 1.00 0.00 N ATOM 19 CA ALA A 2 5.234 -1.442 -1.801 1.00 0.00 C ATOM 20 C ALA A 2 6.090 -0.633 -2.771 1.00 0.00 C ATOM 21 O ALA A 2 5.744 -0.485 -3.944 1.00 0.00 O ATOM 22 CB ALA A 2 5.463 -2.932 -2.009 1.00 0.00 C ATOM 0 H ALA A 2 3.360 -1.607 -2.724 1.00 0.00 H new ATOM 0 HA ALA A 2 5.532 -1.178 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 2 6.523 -3.157 -1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.888 -3.495 -1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.142 -3.213 -3.012 1.00 0.00 H new ATOM 28 N LEU A 3 7.206 -0.112 -2.274 1.00 0.00 N ATOM 29 CA LEU A 3 8.111 0.683 -3.097 1.00 0.00 C ATOM 30 C LEU A 3 9.517 0.090 -3.088 1.00 0.00 C ATOM 31 O LEU A 3 9.975 -0.469 -2.092 1.00 0.00 O ATOM 32 CB LEU A 3 8.151 2.127 -2.596 1.00 0.00 C ATOM 33 CG LEU A 3 6.822 2.707 -2.111 1.00 0.00 C ATOM 34 CD1 LEU A 3 6.593 2.366 -0.647 1.00 0.00 C ATOM 35 CD2 LEU A 3 6.789 4.214 -2.321 1.00 0.00 C ATOM 0 H LEU A 3 7.506 -0.225 -1.306 1.00 0.00 H new ATOM 0 HA LEU A 3 7.738 0.671 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.870 2.187 -1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 3 8.528 2.759 -3.400 1.00 0.00 H new ATOM 0 HG LEU A 3 6.018 2.261 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.642 2.787 -0.320 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.571 1.283 -0.525 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.401 2.783 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.836 4.609 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 3 7.602 4.677 -1.762 1.00 0.00 H new ATOM 0 HD23 LEU A 3 6.906 4.436 -3.382 1.00 0.00 H new ATOM 47 N PRO A 4 10.219 0.216 -4.224 1.00 0.00 N ATOM 48 CA PRO A 4 11.584 -0.298 -4.372 1.00 0.00 C ATOM 49 C PRO A 4 12.593 0.491 -3.545 1.00 0.00 C ATOM 50 O PRO A 4 13.218 1.428 -4.040 1.00 0.00 O ATOM 51 CB PRO A 4 11.867 -0.127 -5.867 1.00 0.00 C ATOM 52 CG PRO A 4 10.973 0.984 -6.297 1.00 0.00 C ATOM 53 CD PRO A 4 9.735 0.871 -5.451 1.00 0.00 C ATOM 0 HA PRO A 4 11.673 -1.327 -4.022 1.00 0.00 H new ATOM 0 HB2 PRO A 4 12.914 0.116 -6.046 1.00 0.00 H new ATOM 0 HB3 PRO A 4 11.653 -1.043 -6.418 1.00 0.00 H new ATOM 0 HG2 PRO A 4 11.456 1.951 -6.155 1.00 0.00 H new ATOM 0 HG3 PRO A 4 10.730 0.902 -7.356 1.00 0.00 H new ATOM 0 HD2 PRO A 4 9.302 1.849 -5.240 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.964 0.280 -5.945 1.00 0.00 H new ATOM 61 N MET A 5 12.748 0.105 -2.283 1.00 0.00 N ATOM 62 CA MET A 5 13.683 0.776 -1.388 1.00 0.00 C ATOM 63 C MET A 5 14.586 -0.235 -0.688 1.00 0.00 C ATOM 64 O MET A 5 14.363 -1.443 -0.772 1.00 0.00 O ATOM 65 CB MET A 5 12.924 1.604 -0.349 1.00 0.00 C ATOM 66 CG MET A 5 11.603 2.156 -0.860 1.00 0.00 C ATOM 67 SD MET A 5 10.843 3.316 0.292 1.00 0.00 S ATOM 68 CE MET A 5 9.913 4.352 -0.835 1.00 0.00 C ATOM 0 H MET A 5 12.238 -0.669 -1.857 1.00 0.00 H new ATOM 0 HA MET A 5 14.306 1.441 -1.987 1.00 0.00 H new ATOM 0 HB2 MET A 5 12.735 0.986 0.529 1.00 0.00 H new ATOM 0 HB3 MET A 5 13.554 2.433 -0.026 1.00 0.00 H new ATOM 0 HG2 MET A 5 11.767 2.654 -1.816 1.00 0.00 H new ATOM 0 HG3 MET A 5 10.916 1.330 -1.045 1.00 0.00 H new ATOM 0 HE1 MET A 5 10.219 5.391 -0.711 1.00 0.00 H new ATOM 0 HE2 MET A 5 10.104 4.037 -1.861 1.00 0.00 H new ATOM 0 HE3 MET A 5 8.848 4.260 -0.620 1.00 0.00 H new ATOM 78 N ILE A 6 15.605 0.267 0.002 1.00 0.00 N ATOM 79 CA ILE A 6 16.541 -0.593 0.716 1.00 0.00 C ATOM 80 C ILE A 6 16.420 -0.403 2.224 1.00 0.00 C ATOM 81 O ILE A 6 16.269 0.719 2.709 1.00 0.00 O ATOM 82 CB ILE A 6 17.995 -0.320 0.290 1.00 0.00 C ATOM 83 CG1 ILE A 6 18.130 -0.413 -1.231 1.00 0.00 C ATOM 84 CG2 ILE A 6 18.939 -1.299 0.971 1.00 0.00 C ATOM 85 CD1 ILE A 6 17.755 -1.768 -1.790 1.00 0.00 C ATOM 0 H ILE A 6 15.803 1.264 0.082 1.00 0.00 H new ATOM 0 HA ILE A 6 16.284 -1.621 0.460 1.00 0.00 H new ATOM 0 HB ILE A 6 18.265 0.690 0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 6 17.499 0.348 -1.691 1.00 0.00 H new ATOM 0 HG13 ILE A 6 19.159 -0.186 -1.511 1.00 0.00 H new ATOM 0 HG21 ILE A 6 19.963 -1.093 0.660 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.859 -1.189 2.052 1.00 0.00 H new ATOM 0 HG23 ILE A 6 18.672 -2.318 0.689 1.00 0.00 H new ATOM 0 HD11 ILE A 6 17.875 -1.760 -2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 6 18.402 -2.531 -1.359 1.00 0.00 H new ATOM 0 HD13 ILE A 6 16.717 -1.990 -1.541 1.00 0.00 H new ATOM 97 N VAL A 7 16.491 -1.506 2.962 1.00 0.00 N ATOM 98 CA VAL A 7 16.393 -1.461 4.416 1.00 0.00 C ATOM 99 C VAL A 7 17.768 -1.582 5.063 1.00 0.00 C ATOM 100 O VAL A 7 18.556 -2.462 4.714 1.00 0.00 O ATOM 101 CB VAL A 7 15.485 -2.583 4.953 1.00 0.00 C ATOM 102 CG1 VAL A 7 14.022 -2.256 4.693 1.00 0.00 C ATOM 103 CG2 VAL A 7 15.860 -3.918 4.327 1.00 0.00 C ATOM 0 H VAL A 7 16.616 -2.442 2.577 1.00 0.00 H new ATOM 0 HA VAL A 7 15.956 -0.496 4.674 1.00 0.00 H new ATOM 0 HB VAL A 7 15.630 -2.659 6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 7 13.395 -3.060 5.079 1.00 0.00 H new ATOM 0 HG12 VAL A 7 13.763 -1.322 5.193 1.00 0.00 H new ATOM 0 HG13 VAL A 7 13.858 -2.151 3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 7 15.208 -4.699 4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.745 -3.857 3.245 1.00 0.00 H new ATOM 0 HG23 VAL A 7 16.896 -4.155 4.569 1.00 0.00 H new ATOM 113 N LYS A 8 18.051 -0.693 6.010 1.00 0.00 N ATOM 114 CA LYS A 8 19.331 -0.700 6.709 1.00 0.00 C ATOM 115 C LYS A 8 19.137 -0.451 8.201 1.00 0.00 C ATOM 116 O LYS A 8 19.407 0.643 8.697 1.00 0.00 O ATOM 117 CB LYS A 8 20.262 0.362 6.120 1.00 0.00 C ATOM 118 CG LYS A 8 21.736 0.023 6.261 1.00 0.00 C ATOM 119 CD LYS A 8 22.595 0.878 5.344 1.00 0.00 C ATOM 120 CE LYS A 8 24.073 0.739 5.675 1.00 0.00 C ATOM 121 NZ LYS A 8 24.435 1.479 6.916 1.00 0.00 N ATOM 0 H LYS A 8 17.411 0.042 6.311 1.00 0.00 H new ATOM 0 HA LYS A 8 19.783 -1.683 6.579 1.00 0.00 H new ATOM 0 HB2 LYS A 8 20.027 0.494 5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 8 20.068 1.316 6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 8 22.047 0.171 7.295 1.00 0.00 H new ATOM 0 HG3 LYS A 8 21.892 -1.031 6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.424 0.587 4.308 1.00 0.00 H new ATOM 0 HD3 LYS A 8 22.297 1.923 5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.321 -0.316 5.796 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.669 1.113 4.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 25.467 1.459 7.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 24.114 2.465 6.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 23.977 1.030 7.734 1.00 0.00 H new ATOM 135 N TRP A 9 18.668 -1.471 8.910 1.00 0.00 N ATOM 136 CA TRP A 9 18.440 -1.362 10.347 1.00 0.00 C ATOM 137 C TRP A 9 19.576 -2.011 11.130 1.00 0.00 C ATOM 138 O TRP A 9 20.170 -2.992 10.682 1.00 0.00 O ATOM 139 CB TRP A 9 17.108 -2.013 10.723 1.00 0.00 C ATOM 140 CG TRP A 9 16.864 -2.055 12.201 1.00 0.00 C ATOM 141 CD1 TRP A 9 16.580 -3.159 12.954 1.00 0.00 C ATOM 142 CD2 TRP A 9 16.881 -0.944 13.104 1.00 0.00 C ATOM 143 NE1 TRP A 9 16.418 -2.801 14.271 1.00 0.00 N ATOM 144 CE2 TRP A 9 16.599 -1.448 14.389 1.00 0.00 C ATOM 145 CE3 TRP A 9 17.108 0.426 12.953 1.00 0.00 C ATOM 146 CZ2 TRP A 9 16.538 -0.628 15.513 1.00 0.00 C ATOM 147 CZ3 TRP A 9 17.047 1.238 14.069 1.00 0.00 C ATOM 148 CH2 TRP A 9 16.765 0.710 15.336 1.00 0.00 C ATOM 0 H TRP A 9 18.438 -2.383 8.514 1.00 0.00 H new ATOM 0 HA TRP A 9 18.405 -0.303 10.605 1.00 0.00 H new ATOM 0 HB2 TRP A 9 16.296 -1.466 10.243 1.00 0.00 H new ATOM 0 HB3 TRP A 9 17.084 -3.029 10.329 1.00 0.00 H new ATOM 0 HD1 TRP A 9 16.495 -4.165 12.571 1.00 0.00 H new ATOM 0 HE1 TRP A 9 16.199 -3.439 15.036 1.00 0.00 H new ATOM 0 HE3 TRP A 9 17.327 0.843 11.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 16.319 -1.034 16.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 17.220 2.299 13.963 1.00 0.00 H new ATOM 0 HH2 TRP A 9 16.726 1.371 16.189 1.00 0.00 H new ATOM 159 N GLY A 10 19.874 -1.458 12.301 1.00 0.00 N ATOM 160 CA GLY A 10 20.938 -1.997 13.127 1.00 0.00 C ATOM 161 C GLY A 10 20.799 -3.489 13.352 1.00 0.00 C ATOM 162 O GLY A 10 19.885 -3.938 14.043 1.00 0.00 O ATOM 0 H GLY A 10 19.397 -0.646 12.693 1.00 0.00 H new ATOM 0 HA2 GLY A 10 21.899 -1.792 12.655 1.00 0.00 H new ATOM 0 HA3 GLY A 10 20.940 -1.486 14.090 1.00 0.00 H new ATOM 166 N GLY A 11 21.707 -4.262 12.764 1.00 0.00 N ATOM 167 CA GLY A 11 21.662 -5.705 12.914 1.00 0.00 C ATOM 168 C GLY A 11 21.435 -6.418 11.596 1.00 0.00 C ATOM 169 O GLY A 11 22.155 -7.358 11.260 1.00 0.00 O ATOM 0 H GLY A 11 22.473 -3.915 12.187 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.597 -6.051 13.354 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.865 -5.970 13.609 1.00 0.00 H new ATOM 173 N GLN A 12 20.431 -5.972 10.849 1.00 0.00 N ATOM 174 CA GLN A 12 20.110 -6.576 9.561 1.00 0.00 C ATOM 175 C GLN A 12 19.982 -5.511 8.477 1.00 0.00 C ATOM 176 O GLN A 12 19.375 -4.463 8.693 1.00 0.00 O ATOM 177 CB GLN A 12 18.811 -7.378 9.660 1.00 0.00 C ATOM 178 CG GLN A 12 18.911 -8.587 10.576 1.00 0.00 C ATOM 179 CD GLN A 12 20.172 -9.396 10.340 1.00 0.00 C ATOM 180 OE1 GLN A 12 20.862 -9.782 11.284 1.00 0.00 O ATOM 181 NE2 GLN A 12 20.480 -9.656 9.075 1.00 0.00 N ATOM 0 H GLN A 12 19.826 -5.195 11.113 1.00 0.00 H new ATOM 0 HA GLN A 12 20.924 -7.248 9.290 1.00 0.00 H new ATOM 0 HB2 GLN A 12 18.017 -6.724 10.020 1.00 0.00 H new ATOM 0 HB3 GLN A 12 18.522 -7.711 8.663 1.00 0.00 H new ATOM 0 HG2 GLN A 12 18.886 -8.255 11.614 1.00 0.00 H new ATOM 0 HG3 GLN A 12 18.041 -9.226 10.425 1.00 0.00 H new ATOM 0 HE21 GLN A 12 19.879 -9.316 8.324 1.00 0.00 H new ATOM 0 HE22 GLN A 12 21.317 -10.195 8.854 1.00 0.00 H new ATOM 190 N GLU A 13 20.558 -5.788 7.311 1.00 0.00 N ATOM 191 CA GLU A 13 20.509 -4.852 6.194 1.00 0.00 C ATOM 192 C GLU A 13 20.102 -5.563 4.907 1.00 0.00 C ATOM 193 O GLU A 13 20.949 -6.072 4.172 1.00 0.00 O ATOM 194 CB GLU A 13 21.868 -4.174 6.008 1.00 0.00 C ATOM 195 CG GLU A 13 21.964 -3.339 4.742 1.00 0.00 C ATOM 196 CD GLU A 13 23.275 -2.585 4.638 1.00 0.00 C ATOM 197 OE1 GLU A 13 24.210 -2.915 5.397 1.00 0.00 O ATOM 198 OE2 GLU A 13 23.366 -1.665 3.799 1.00 0.00 O ATOM 0 H GLU A 13 21.063 -6.652 7.116 1.00 0.00 H new ATOM 0 HA GLU A 13 19.761 -4.093 6.421 1.00 0.00 H new ATOM 0 HB2 GLU A 13 22.067 -3.537 6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 13 22.646 -4.937 5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 13 21.853 -3.989 3.874 1.00 0.00 H new ATOM 0 HG3 GLU A 13 21.138 -2.629 4.716 1.00 0.00 H new ATOM 205 N TYR A 14 18.801 -5.593 4.641 1.00 0.00 N ATOM 206 CA TYR A 14 18.281 -6.243 3.444 1.00 0.00 C ATOM 207 C TYR A 14 17.917 -5.213 2.379 1.00 0.00 C ATOM 208 O TYR A 14 18.268 -4.039 2.489 1.00 0.00 O ATOM 209 CB TYR A 14 17.055 -7.090 3.791 1.00 0.00 C ATOM 210 CG TYR A 14 17.263 -7.996 4.983 1.00 0.00 C ATOM 211 CD1 TYR A 14 18.298 -8.921 5.006 1.00 0.00 C ATOM 212 CD2 TYR A 14 16.423 -7.925 6.088 1.00 0.00 C ATOM 213 CE1 TYR A 14 18.491 -9.751 6.094 1.00 0.00 C ATOM 214 CE2 TYR A 14 16.609 -8.750 7.181 1.00 0.00 C ATOM 215 CZ TYR A 14 17.644 -9.661 7.179 1.00 0.00 C ATOM 216 OH TYR A 14 17.833 -10.485 8.265 1.00 0.00 O ATOM 0 H TYR A 14 18.087 -5.175 5.238 1.00 0.00 H new ATOM 0 HA TYR A 14 19.061 -6.891 3.045 1.00 0.00 H new ATOM 0 HB2 TYR A 14 16.212 -6.429 3.991 1.00 0.00 H new ATOM 0 HB3 TYR A 14 16.787 -7.697 2.926 1.00 0.00 H new ATOM 0 HD1 TYR A 14 18.964 -8.993 4.159 1.00 0.00 H new ATOM 0 HD2 TYR A 14 15.611 -7.213 6.093 1.00 0.00 H new ATOM 0 HE1 TYR A 14 19.300 -10.466 6.095 1.00 0.00 H new ATOM 0 HE2 TYR A 14 15.947 -8.682 8.032 1.00 0.00 H new ATOM 0 HH TYR A 14 18.604 -11.068 8.103 1.00 0.00 H new ATOM 226 N SER A 15 17.209 -5.663 1.348 1.00 0.00 N ATOM 227 CA SER A 15 16.798 -4.783 0.260 1.00 0.00 C ATOM 228 C SER A 15 15.374 -5.098 -0.186 1.00 0.00 C ATOM 229 O SER A 15 15.120 -6.130 -0.809 1.00 0.00 O ATOM 230 CB SER A 15 17.758 -4.919 -0.924 1.00 0.00 C ATOM 231 OG SER A 15 18.020 -6.281 -1.214 1.00 0.00 O ATOM 0 H SER A 15 16.908 -6.632 1.243 1.00 0.00 H new ATOM 0 HA SER A 15 16.826 -3.757 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 15 17.330 -4.433 -1.801 1.00 0.00 H new ATOM 0 HB3 SER A 15 18.693 -4.405 -0.699 1.00 0.00 H new ATOM 0 HG SER A 15 17.178 -6.783 -1.214 1.00 0.00 H new ATOM 237 N VAL A 16 14.447 -4.202 0.137 1.00 0.00 N ATOM 238 CA VAL A 16 13.048 -4.383 -0.231 1.00 0.00 C ATOM 239 C VAL A 16 12.742 -3.722 -1.570 1.00 0.00 C ATOM 240 O VAL A 16 11.764 -2.986 -1.704 1.00 0.00 O ATOM 241 CB VAL A 16 12.106 -3.804 0.842 1.00 0.00 C ATOM 242 CG1 VAL A 16 12.220 -4.595 2.136 1.00 0.00 C ATOM 243 CG2 VAL A 16 12.410 -2.332 1.078 1.00 0.00 C ATOM 0 H VAL A 16 14.640 -3.343 0.653 1.00 0.00 H new ATOM 0 HA VAL A 16 12.878 -5.457 -0.312 1.00 0.00 H new ATOM 0 HB VAL A 16 11.080 -3.887 0.484 1.00 0.00 H new ATOM 0 HG11 VAL A 16 11.547 -4.171 2.882 1.00 0.00 H new ATOM 0 HG12 VAL A 16 11.949 -5.635 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 16 13.245 -4.547 2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 16 11.736 -1.939 1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 16 13.441 -2.223 1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 16 12.272 -1.778 0.149 1.00 0.00 H new ATOM 253 N THR A 17 13.585 -3.991 -2.563 1.00 0.00 N ATOM 254 CA THR A 17 13.406 -3.422 -3.893 1.00 0.00 C ATOM 255 C THR A 17 12.175 -4.005 -4.579 1.00 0.00 C ATOM 256 O THR A 17 11.467 -4.835 -4.007 1.00 0.00 O ATOM 257 CB THR A 17 14.640 -3.670 -4.780 1.00 0.00 C ATOM 258 OG1 THR A 17 14.504 -2.960 -6.017 1.00 0.00 O ATOM 259 CG2 THR A 17 14.818 -5.155 -5.059 1.00 0.00 C ATOM 0 H THR A 17 14.398 -4.600 -2.471 1.00 0.00 H new ATOM 0 HA THR A 17 13.271 -2.348 -3.763 1.00 0.00 H new ATOM 0 HB THR A 17 15.520 -3.309 -4.248 1.00 0.00 H new ATOM 0 HG1 THR A 17 15.293 -3.121 -6.575 1.00 0.00 H new ATOM 0 HG21 THR A 17 15.696 -5.304 -5.687 1.00 0.00 H new ATOM 0 HG22 THR A 17 14.950 -5.689 -4.118 1.00 0.00 H new ATOM 0 HG23 THR A 17 13.935 -5.537 -5.572 1.00 0.00 H new ATOM 267 N THR A 18 11.926 -3.567 -5.809 1.00 0.00 N ATOM 268 CA THR A 18 10.780 -4.045 -6.573 1.00 0.00 C ATOM 269 C THR A 18 11.175 -5.191 -7.496 1.00 0.00 C ATOM 270 O THR A 18 10.320 -5.828 -8.113 1.00 0.00 O ATOM 271 CB THR A 18 10.155 -2.916 -7.413 1.00 0.00 C ATOM 272 OG1 THR A 18 8.932 -3.366 -8.007 1.00 0.00 O ATOM 273 CG2 THR A 18 11.114 -2.456 -8.501 1.00 0.00 C ATOM 0 H THR A 18 12.503 -2.882 -6.298 1.00 0.00 H new ATOM 0 HA THR A 18 10.044 -4.400 -5.851 1.00 0.00 H new ATOM 0 HB THR A 18 9.949 -2.074 -6.753 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.983 -4.331 -8.171 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.650 -1.658 -9.081 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.032 -2.086 -8.044 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.348 -3.294 -9.158 1.00 0.00 H new ATOM 281 N LEU A 19 12.475 -5.451 -7.587 1.00 0.00 N ATOM 282 CA LEU A 19 12.983 -6.523 -8.436 1.00 0.00 C ATOM 283 C LEU A 19 12.637 -6.269 -9.900 1.00 0.00 C ATOM 284 O LEU A 19 12.136 -5.202 -10.253 1.00 0.00 O ATOM 285 CB LEU A 19 12.410 -7.869 -7.990 1.00 0.00 C ATOM 286 CG LEU A 19 12.652 -8.251 -6.529 1.00 0.00 C ATOM 287 CD1 LEU A 19 11.617 -7.596 -5.628 1.00 0.00 C ATOM 288 CD2 LEU A 19 12.626 -9.763 -6.362 1.00 0.00 C ATOM 0 H LEU A 19 13.196 -4.934 -7.083 1.00 0.00 H new ATOM 0 HA LEU A 19 14.068 -6.547 -8.338 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.335 -7.861 -8.169 1.00 0.00 H new ATOM 0 HB3 LEU A 19 12.833 -8.649 -8.623 1.00 0.00 H new ATOM 0 HG LEU A 19 13.638 -7.890 -6.238 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.805 -7.879 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.683 -6.512 -5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.620 -7.926 -5.919 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.800 -10.017 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 19 11.654 -10.147 -6.672 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.406 -10.211 -6.978 1.00 0.00 H new ATOM 300 N SER A 20 12.905 -7.259 -10.746 1.00 0.00 N ATOM 301 CA SER A 20 12.623 -7.142 -12.172 1.00 0.00 C ATOM 302 C SER A 20 11.127 -7.271 -12.442 1.00 0.00 C ATOM 303 O SER A 20 10.372 -7.746 -11.595 1.00 0.00 O ATOM 304 CB SER A 20 13.388 -8.213 -12.953 1.00 0.00 C ATOM 305 OG SER A 20 14.788 -8.028 -12.834 1.00 0.00 O ATOM 0 H SER A 20 13.317 -8.150 -10.469 1.00 0.00 H new ATOM 0 HA SER A 20 12.951 -6.157 -12.503 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.116 -9.201 -12.583 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.101 -8.176 -14.004 1.00 0.00 H new ATOM 0 HG SER A 20 15.254 -8.726 -13.340 1.00 0.00 H new ATOM 311 N GLU A 21 10.708 -6.842 -13.629 1.00 0.00 N ATOM 312 CA GLU A 21 9.302 -6.909 -14.011 1.00 0.00 C ATOM 313 C GLU A 21 8.860 -8.355 -14.209 1.00 0.00 C ATOM 314 O GLU A 21 7.679 -8.678 -14.079 1.00 0.00 O ATOM 315 CB GLU A 21 9.061 -6.109 -15.293 1.00 0.00 C ATOM 316 CG GLU A 21 9.858 -6.615 -16.484 1.00 0.00 C ATOM 317 CD GLU A 21 9.682 -5.746 -17.714 1.00 0.00 C ATOM 318 OE1 GLU A 21 8.580 -5.187 -17.894 1.00 0.00 O ATOM 319 OE2 GLU A 21 10.648 -5.625 -18.497 1.00 0.00 O ATOM 0 H GLU A 21 11.321 -6.445 -14.341 1.00 0.00 H new ATOM 0 HA GLU A 21 8.711 -6.475 -13.204 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.999 -6.141 -15.537 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.316 -5.065 -15.113 1.00 0.00 H new ATOM 0 HG2 GLU A 21 10.915 -6.654 -16.219 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.550 -7.634 -16.716 1.00 0.00 H new ATOM 326 N ASP A 22 9.816 -9.222 -14.526 1.00 0.00 N ATOM 327 CA ASP A 22 9.526 -10.635 -14.742 1.00 0.00 C ATOM 328 C ASP A 22 8.893 -11.256 -13.501 1.00 0.00 C ATOM 329 O ASP A 22 8.056 -12.154 -13.603 1.00 0.00 O ATOM 330 CB ASP A 22 10.805 -11.389 -15.109 1.00 0.00 C ATOM 331 CG ASP A 22 11.338 -10.996 -16.473 1.00 0.00 C ATOM 332 OD1 ASP A 22 12.084 -9.997 -16.554 1.00 0.00 O ATOM 333 OD2 ASP A 22 11.010 -11.688 -17.459 1.00 0.00 O ATOM 0 H ASP A 22 10.798 -8.971 -14.639 1.00 0.00 H new ATOM 0 HA ASP A 22 8.818 -10.713 -15.567 1.00 0.00 H new ATOM 0 HB2 ASP A 22 11.567 -11.194 -14.354 1.00 0.00 H new ATOM 0 HB3 ASP A 22 10.608 -12.461 -15.094 1.00 0.00 H new ATOM 338 N ASP A 23 9.297 -10.773 -12.332 1.00 0.00 N ATOM 339 CA ASP A 23 8.769 -11.281 -11.071 1.00 0.00 C ATOM 340 C ASP A 23 7.796 -10.284 -10.449 1.00 0.00 C ATOM 341 O ASP A 23 7.622 -9.173 -10.951 1.00 0.00 O ATOM 342 CB ASP A 23 9.911 -11.574 -10.096 1.00 0.00 C ATOM 343 CG ASP A 23 10.660 -12.844 -10.447 1.00 0.00 C ATOM 344 OD1 ASP A 23 10.084 -13.939 -10.273 1.00 0.00 O ATOM 345 OD2 ASP A 23 11.821 -12.744 -10.895 1.00 0.00 O ATOM 0 H ASP A 23 9.989 -10.030 -12.231 1.00 0.00 H new ATOM 0 HA ASP A 23 8.231 -12.207 -11.277 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.606 -10.735 -10.093 1.00 0.00 H new ATOM 0 HB3 ASP A 23 9.510 -11.660 -9.086 1.00 0.00 H new ATOM 350 N THR A 24 7.161 -10.689 -9.353 1.00 0.00 N ATOM 351 CA THR A 24 6.204 -9.834 -8.664 1.00 0.00 C ATOM 352 C THR A 24 6.605 -9.621 -7.209 1.00 0.00 C ATOM 353 O THR A 24 7.613 -10.155 -6.748 1.00 0.00 O ATOM 354 CB THR A 24 4.783 -10.428 -8.712 1.00 0.00 C ATOM 355 OG1 THR A 24 4.852 -11.853 -8.834 1.00 0.00 O ATOM 356 CG2 THR A 24 3.995 -9.851 -9.878 1.00 0.00 C ATOM 0 H THR A 24 7.293 -11.605 -8.924 1.00 0.00 H new ATOM 0 HA THR A 24 6.206 -8.875 -9.183 1.00 0.00 H new ATOM 0 HB THR A 24 4.272 -10.168 -7.785 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.999 -12.194 -9.177 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.995 -10.285 -9.892 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.920 -8.769 -9.766 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.505 -10.085 -10.813 1.00 0.00 H new ATOM 364 N VAL A 25 5.808 -8.837 -6.489 1.00 0.00 N ATOM 365 CA VAL A 25 6.079 -8.555 -5.084 1.00 0.00 C ATOM 366 C VAL A 25 5.790 -9.773 -4.214 1.00 0.00 C ATOM 367 O VAL A 25 6.421 -9.971 -3.174 1.00 0.00 O ATOM 368 CB VAL A 25 5.241 -7.366 -4.579 1.00 0.00 C ATOM 369 CG1 VAL A 25 5.290 -7.285 -3.060 1.00 0.00 C ATOM 370 CG2 VAL A 25 5.726 -6.068 -5.206 1.00 0.00 C ATOM 0 H VAL A 25 4.970 -8.386 -6.856 1.00 0.00 H new ATOM 0 HA VAL A 25 7.137 -8.302 -5.010 1.00 0.00 H new ATOM 0 HB VAL A 25 4.204 -7.522 -4.878 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.692 -6.439 -2.721 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.891 -8.205 -2.634 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.322 -7.153 -2.736 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.122 -5.238 -4.838 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.770 -5.903 -4.940 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.633 -6.131 -6.290 1.00 0.00 H new ATOM 380 N LEU A 26 4.833 -10.588 -4.645 1.00 0.00 N ATOM 381 CA LEU A 26 4.460 -11.788 -3.905 1.00 0.00 C ATOM 382 C LEU A 26 5.664 -12.706 -3.714 1.00 0.00 C ATOM 383 O LEU A 26 5.790 -13.375 -2.688 1.00 0.00 O ATOM 384 CB LEU A 26 3.345 -12.537 -4.637 1.00 0.00 C ATOM 385 CG LEU A 26 3.678 -13.024 -6.048 1.00 0.00 C ATOM 386 CD1 LEU A 26 4.331 -14.397 -5.998 1.00 0.00 C ATOM 387 CD2 LEU A 26 2.425 -13.059 -6.910 1.00 0.00 C ATOM 0 H LEU A 26 4.302 -10.439 -5.503 1.00 0.00 H new ATOM 0 HA LEU A 26 4.100 -11.482 -2.923 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.058 -13.399 -4.035 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.474 -11.884 -4.696 1.00 0.00 H new ATOM 0 HG LEU A 26 4.383 -12.324 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.561 -14.728 -7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.251 -14.341 -5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.649 -15.107 -5.530 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.681 -13.408 -7.910 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.696 -13.736 -6.465 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.999 -12.058 -6.973 1.00 0.00 H new ATOM 399 N ASP A 27 6.545 -12.731 -4.707 1.00 0.00 N ATOM 400 CA ASP A 27 7.741 -13.564 -4.647 1.00 0.00 C ATOM 401 C ASP A 27 8.713 -13.044 -3.592 1.00 0.00 C ATOM 402 O ASP A 27 9.209 -13.805 -2.760 1.00 0.00 O ATOM 403 CB ASP A 27 8.427 -13.608 -6.013 1.00 0.00 C ATOM 404 CG ASP A 27 7.903 -14.730 -6.888 1.00 0.00 C ATOM 405 OD1 ASP A 27 8.119 -15.909 -6.535 1.00 0.00 O ATOM 406 OD2 ASP A 27 7.276 -14.430 -7.925 1.00 0.00 O ATOM 0 H ASP A 27 6.454 -12.184 -5.563 1.00 0.00 H new ATOM 0 HA ASP A 27 7.437 -14.573 -4.369 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.279 -12.655 -6.521 1.00 0.00 H new ATOM 0 HB3 ASP A 27 9.501 -13.731 -5.873 1.00 0.00 H new ATOM 411 N LEU A 28 8.983 -11.744 -3.634 1.00 0.00 N ATOM 412 CA LEU A 28 9.897 -11.122 -2.682 1.00 0.00 C ATOM 413 C LEU A 28 9.310 -11.135 -1.274 1.00 0.00 C ATOM 414 O LEU A 28 10.037 -11.250 -0.288 1.00 0.00 O ATOM 415 CB LEU A 28 10.204 -9.684 -3.106 1.00 0.00 C ATOM 416 CG LEU A 28 9.309 -8.601 -2.503 1.00 0.00 C ATOM 417 CD1 LEU A 28 9.857 -8.143 -1.160 1.00 0.00 C ATOM 418 CD2 LEU A 28 9.180 -7.423 -3.458 1.00 0.00 C ATOM 0 H LEU A 28 8.582 -11.100 -4.316 1.00 0.00 H new ATOM 0 HA LEU A 28 10.822 -11.698 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.238 -9.461 -2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.132 -9.623 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 28 8.317 -9.024 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.207 -7.372 -0.746 1.00 0.00 H new ATOM 0 HD12 LEU A 28 9.897 -8.990 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 28 10.860 -7.738 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.540 -6.662 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.166 -7.000 -3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.742 -7.762 -4.397 1.00 0.00 H new ATOM 430 N LYS A 29 7.989 -11.017 -1.189 1.00 0.00 N ATOM 431 CA LYS A 29 7.302 -11.019 0.097 1.00 0.00 C ATOM 432 C LYS A 29 7.406 -12.385 0.768 1.00 0.00 C ATOM 433 O LYS A 29 7.385 -12.487 1.994 1.00 0.00 O ATOM 434 CB LYS A 29 5.831 -10.640 -0.087 1.00 0.00 C ATOM 435 CG LYS A 29 4.898 -11.837 -0.159 1.00 0.00 C ATOM 436 CD LYS A 29 4.418 -12.253 1.222 1.00 0.00 C ATOM 437 CE LYS A 29 3.061 -12.938 1.157 1.00 0.00 C ATOM 438 NZ LYS A 29 3.121 -14.216 0.396 1.00 0.00 N ATOM 0 H LYS A 29 7.373 -10.919 -1.996 1.00 0.00 H new ATOM 0 HA LYS A 29 7.784 -10.281 0.739 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.523 -10.000 0.740 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.727 -10.054 -1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.040 -11.594 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.412 -12.673 -0.634 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.146 -12.927 1.674 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.354 -11.376 1.866 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.704 -13.134 2.168 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.339 -12.270 0.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.313 -14.270 -0.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.008 -14.256 -0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.084 -15.017 1.059 1.00 0.00 H new ATOM 452 N GLN A 30 7.518 -13.431 -0.045 1.00 0.00 N ATOM 453 CA GLN A 30 7.626 -14.790 0.471 1.00 0.00 C ATOM 454 C GLN A 30 9.021 -15.052 1.029 1.00 0.00 C ATOM 455 O GLN A 30 9.179 -15.739 2.038 1.00 0.00 O ATOM 456 CB GLN A 30 7.305 -15.803 -0.629 1.00 0.00 C ATOM 457 CG GLN A 30 5.819 -16.078 -0.789 1.00 0.00 C ATOM 458 CD GLN A 30 5.534 -17.486 -1.275 1.00 0.00 C ATOM 459 OE1 GLN A 30 6.432 -18.326 -1.338 1.00 0.00 O ATOM 460 NE2 GLN A 30 4.280 -17.751 -1.620 1.00 0.00 N ATOM 0 H GLN A 30 7.536 -13.363 -1.063 1.00 0.00 H new ATOM 0 HA GLN A 30 6.904 -14.902 1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 30 7.702 -15.437 -1.576 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.818 -16.740 -0.410 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.319 -15.920 0.167 1.00 0.00 H new ATOM 0 HG3 GLN A 30 5.395 -15.362 -1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.568 -17.024 -1.552 1.00 0.00 H new ATOM 0 HE22 GLN A 30 4.029 -18.682 -1.953 1.00 0.00 H new ATOM 469 N PHE A 31 10.031 -14.500 0.364 1.00 0.00 N ATOM 470 CA PHE A 31 11.414 -14.675 0.793 1.00 0.00 C ATOM 471 C PHE A 31 11.671 -13.950 2.111 1.00 0.00 C ATOM 472 O PHE A 31 12.478 -14.394 2.929 1.00 0.00 O ATOM 473 CB PHE A 31 12.373 -14.158 -0.282 1.00 0.00 C ATOM 474 CG PHE A 31 12.794 -15.211 -1.267 1.00 0.00 C ATOM 475 CD1 PHE A 31 11.852 -15.879 -2.032 1.00 0.00 C ATOM 476 CD2 PHE A 31 14.132 -15.533 -1.427 1.00 0.00 C ATOM 477 CE1 PHE A 31 12.237 -16.849 -2.939 1.00 0.00 C ATOM 478 CE2 PHE A 31 14.523 -16.502 -2.332 1.00 0.00 C ATOM 479 CZ PHE A 31 13.574 -17.160 -3.089 1.00 0.00 C ATOM 0 H PHE A 31 9.918 -13.928 -0.473 1.00 0.00 H new ATOM 0 HA PHE A 31 11.589 -15.740 0.945 1.00 0.00 H new ATOM 0 HB2 PHE A 31 11.896 -13.339 -0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 31 13.260 -13.748 0.201 1.00 0.00 H new ATOM 0 HD1 PHE A 31 10.805 -15.639 -1.919 1.00 0.00 H new ATOM 0 HD2 PHE A 31 14.878 -15.021 -0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.493 -17.363 -3.529 1.00 0.00 H new ATOM 0 HE2 PHE A 31 15.569 -16.744 -2.447 1.00 0.00 H new ATOM 0 HZ PHE A 31 13.877 -17.917 -3.797 1.00 0.00 H new ATOM 489 N LEU A 32 10.980 -12.833 2.309 1.00 0.00 N ATOM 490 CA LEU A 32 11.133 -12.045 3.527 1.00 0.00 C ATOM 491 C LEU A 32 10.468 -12.739 4.712 1.00 0.00 C ATOM 492 O LEU A 32 10.962 -12.680 5.838 1.00 0.00 O ATOM 493 CB LEU A 32 10.532 -10.652 3.335 1.00 0.00 C ATOM 494 CG LEU A 32 11.241 -9.749 2.325 1.00 0.00 C ATOM 495 CD1 LEU A 32 10.623 -8.359 2.325 1.00 0.00 C ATOM 496 CD2 LEU A 32 12.730 -9.673 2.629 1.00 0.00 C ATOM 0 H LEU A 32 10.308 -12.453 1.642 1.00 0.00 H new ATOM 0 HA LEU A 32 12.198 -11.949 3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.493 -10.766 3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.522 -10.146 4.300 1.00 0.00 H new ATOM 0 HG LEU A 32 11.116 -10.180 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.141 -7.731 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.569 -8.429 2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 32 10.716 -7.919 3.318 1.00 0.00 H new ATOM 0 HD21 LEU A 32 13.218 -9.026 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.877 -9.267 3.630 1.00 0.00 H new ATOM 0 HD23 LEU A 32 13.164 -10.672 2.575 1.00 0.00 H new ATOM 508 N LYS A 33 9.344 -13.399 4.450 1.00 0.00 N ATOM 509 CA LYS A 33 8.612 -14.108 5.492 1.00 0.00 C ATOM 510 C LYS A 33 9.378 -15.345 5.950 1.00 0.00 C ATOM 511 O LYS A 33 9.286 -15.751 7.109 1.00 0.00 O ATOM 512 CB LYS A 33 7.226 -14.512 4.986 1.00 0.00 C ATOM 513 CG LYS A 33 6.649 -15.725 5.694 1.00 0.00 C ATOM 514 CD LYS A 33 6.999 -17.013 4.968 1.00 0.00 C ATOM 515 CE LYS A 33 7.375 -18.118 5.943 1.00 0.00 C ATOM 516 NZ LYS A 33 7.672 -19.398 5.243 1.00 0.00 N ATOM 0 H LYS A 33 8.921 -13.457 3.524 1.00 0.00 H new ATOM 0 HA LYS A 33 8.500 -13.436 6.343 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.544 -13.671 5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.285 -14.720 3.918 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.029 -15.767 6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 33 5.565 -15.627 5.761 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.151 -17.333 4.363 1.00 0.00 H new ATOM 0 HD3 LYS A 33 7.828 -16.832 4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 33 8.246 -17.810 6.522 1.00 0.00 H new ATOM 0 HE3 LYS A 33 6.560 -18.271 6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.428 -20.197 5.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 7.112 -19.454 4.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.684 -19.439 5.008 1.00 0.00 H new ATOM 530 N THR A 34 10.135 -15.939 5.033 1.00 0.00 N ATOM 531 CA THR A 34 10.917 -17.130 5.343 1.00 0.00 C ATOM 532 C THR A 34 12.312 -16.759 5.834 1.00 0.00 C ATOM 533 O THR A 34 12.932 -17.502 6.595 1.00 0.00 O ATOM 534 CB THR A 34 11.046 -18.052 4.116 1.00 0.00 C ATOM 535 OG1 THR A 34 11.742 -19.251 4.476 1.00 0.00 O ATOM 536 CG2 THR A 34 11.783 -17.351 2.986 1.00 0.00 C ATOM 0 H THR A 34 10.223 -15.615 4.070 1.00 0.00 H new ATOM 0 HA THR A 34 10.385 -17.661 6.133 1.00 0.00 H new ATOM 0 HB THR A 34 10.043 -18.304 3.771 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.819 -19.833 3.691 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.861 -18.023 2.131 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.235 -16.455 2.695 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.782 -17.072 3.321 1.00 0.00 H new ATOM 544 N LEU A 35 12.801 -15.605 5.394 1.00 0.00 N ATOM 545 CA LEU A 35 14.124 -15.134 5.789 1.00 0.00 C ATOM 546 C LEU A 35 14.068 -14.419 7.135 1.00 0.00 C ATOM 547 O LEU A 35 14.883 -14.675 8.022 1.00 0.00 O ATOM 548 CB LEU A 35 14.693 -14.195 4.724 1.00 0.00 C ATOM 549 CG LEU A 35 16.026 -13.527 5.060 1.00 0.00 C ATOM 550 CD1 LEU A 35 17.180 -14.288 4.425 1.00 0.00 C ATOM 551 CD2 LEU A 35 16.026 -12.076 4.603 1.00 0.00 C ATOM 0 H LEU A 35 12.301 -14.978 4.763 1.00 0.00 H new ATOM 0 HA LEU A 35 14.777 -16.002 5.885 1.00 0.00 H new ATOM 0 HB2 LEU A 35 14.815 -14.759 3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.958 -13.415 4.527 1.00 0.00 H new ATOM 0 HG LEU A 35 16.157 -13.546 6.142 1.00 0.00 H new ATOM 0 HD11 LEU A 35 18.121 -13.798 4.675 1.00 0.00 H new ATOM 0 HD12 LEU A 35 17.193 -15.311 4.802 1.00 0.00 H new ATOM 0 HD13 LEU A 35 17.055 -14.302 3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 35 16.983 -11.617 4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 35 15.871 -12.034 3.525 1.00 0.00 H new ATOM 0 HD23 LEU A 35 15.224 -11.536 5.106 1.00 0.00 H new ATOM 563 N THR A 36 13.098 -13.521 7.283 1.00 0.00 N ATOM 564 CA THR A 36 12.934 -12.769 8.521 1.00 0.00 C ATOM 565 C THR A 36 11.795 -13.335 9.360 1.00 0.00 C ATOM 566 O THR A 36 11.906 -13.447 10.580 1.00 0.00 O ATOM 567 CB THR A 36 12.660 -11.280 8.241 1.00 0.00 C ATOM 568 OG1 THR A 36 11.262 -11.074 8.010 1.00 0.00 O ATOM 569 CG2 THR A 36 13.455 -10.800 7.036 1.00 0.00 C ATOM 0 H THR A 36 12.414 -13.297 6.560 1.00 0.00 H new ATOM 0 HA THR A 36 13.869 -12.861 9.074 1.00 0.00 H new ATOM 0 HB THR A 36 12.972 -10.706 9.113 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.978 -11.598 7.232 1.00 0.00 H new ATOM 0 HG21 THR A 36 13.245 -9.745 6.858 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.520 -10.930 7.227 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.170 -11.380 6.158 1.00 0.00 H new ATOM 577 N GLY A 37 10.698 -13.692 8.698 1.00 0.00 N ATOM 578 CA GLY A 37 9.554 -14.243 9.401 1.00 0.00 C ATOM 579 C GLY A 37 9.147 -13.402 10.595 1.00 0.00 C ATOM 580 O GLY A 37 8.596 -13.918 11.567 1.00 0.00 O ATOM 0 H GLY A 37 10.581 -13.609 7.688 1.00 0.00 H new ATOM 0 HA2 GLY A 37 8.712 -14.323 8.713 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.789 -15.253 9.735 1.00 0.00 H new ATOM 584 N VAL A 38 9.420 -12.103 10.523 1.00 0.00 N ATOM 585 CA VAL A 38 9.079 -11.189 11.606 1.00 0.00 C ATOM 586 C VAL A 38 8.081 -10.135 11.142 1.00 0.00 C ATOM 587 O VAL A 38 7.436 -9.473 11.956 1.00 0.00 O ATOM 588 CB VAL A 38 10.331 -10.485 12.162 1.00 0.00 C ATOM 589 CG1 VAL A 38 10.919 -9.543 11.123 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.997 -9.737 13.443 1.00 0.00 C ATOM 0 H VAL A 38 9.877 -11.660 9.726 1.00 0.00 H new ATOM 0 HA VAL A 38 8.628 -11.789 12.396 1.00 0.00 H new ATOM 0 HB VAL A 38 11.079 -11.243 12.396 1.00 0.00 H new ATOM 0 HG11 VAL A 38 11.803 -9.055 11.533 1.00 0.00 H new ATOM 0 HG12 VAL A 38 11.197 -10.110 10.234 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.179 -8.789 10.855 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.893 -9.246 13.822 1.00 0.00 H new ATOM 0 HG22 VAL A 38 9.232 -8.988 13.238 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.626 -10.440 14.189 1.00 0.00 H new ATOM 600 N LEU A 39 7.957 -9.983 9.828 1.00 0.00 N ATOM 601 CA LEU A 39 7.036 -9.009 9.253 1.00 0.00 C ATOM 602 C LEU A 39 5.640 -9.161 9.850 1.00 0.00 C ATOM 603 O LEU A 39 5.069 -8.221 10.404 1.00 0.00 O ATOM 604 CB LEU A 39 6.973 -9.171 7.734 1.00 0.00 C ATOM 605 CG LEU A 39 7.970 -8.337 6.928 1.00 0.00 C ATOM 606 CD1 LEU A 39 9.393 -8.615 7.389 1.00 0.00 C ATOM 607 CD2 LEU A 39 7.824 -8.622 5.440 1.00 0.00 C ATOM 0 H LEU A 39 8.483 -10.522 9.140 1.00 0.00 H new ATOM 0 HA LEU A 39 7.407 -8.012 9.491 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.132 -10.222 7.494 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.966 -8.917 7.403 1.00 0.00 H new ATOM 0 HG LEU A 39 7.754 -7.282 7.098 1.00 0.00 H new ATOM 0 HD11 LEU A 39 10.089 -8.013 6.805 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.490 -8.360 8.444 1.00 0.00 H new ATOM 0 HD13 LEU A 39 9.621 -9.672 7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 39 8.541 -8.020 4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.013 -9.679 5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.813 -8.372 5.119 1.00 0.00 H new ATOM 619 N PRO A 40 5.077 -10.373 9.738 1.00 0.00 N ATOM 620 CA PRO A 40 3.743 -10.678 10.263 1.00 0.00 C ATOM 621 C PRO A 40 3.710 -10.695 11.788 1.00 0.00 C ATOM 622 O PRO A 40 2.644 -10.809 12.392 1.00 0.00 O ATOM 623 CB PRO A 40 3.453 -12.073 9.706 1.00 0.00 C ATOM 624 CG PRO A 40 4.795 -12.677 9.478 1.00 0.00 C ATOM 625 CD PRO A 40 5.700 -11.540 9.091 1.00 0.00 C ATOM 0 HA PRO A 40 3.009 -9.927 9.972 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.867 -12.665 10.408 1.00 0.00 H new ATOM 0 HB3 PRO A 40 2.881 -12.018 8.780 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.157 -13.175 10.378 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.756 -13.430 8.691 1.00 0.00 H new ATOM 0 HD2 PRO A 40 6.719 -11.699 9.444 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.753 -11.419 8.009 1.00 0.00 H new ATOM 633 N GLU A 41 4.883 -10.581 12.402 1.00 0.00 N ATOM 634 CA GLU A 41 4.986 -10.584 13.856 1.00 0.00 C ATOM 635 C GLU A 41 5.164 -9.166 14.392 1.00 0.00 C ATOM 636 O GLU A 41 4.217 -8.554 14.887 1.00 0.00 O ATOM 637 CB GLU A 41 6.157 -11.461 14.305 1.00 0.00 C ATOM 638 CG GLU A 41 5.950 -12.940 14.029 1.00 0.00 C ATOM 639 CD GLU A 41 5.247 -13.654 15.167 1.00 0.00 C ATOM 640 OE1 GLU A 41 4.048 -13.385 15.386 1.00 0.00 O ATOM 641 OE2 GLU A 41 5.898 -14.481 15.839 1.00 0.00 O ATOM 0 H GLU A 41 5.774 -10.486 11.916 1.00 0.00 H new ATOM 0 HA GLU A 41 4.060 -10.993 14.259 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.064 -11.129 13.799 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.318 -11.318 15.374 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.366 -13.057 13.116 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.917 -13.411 13.852 1.00 0.00 H new ATOM 648 N ARG A 42 6.385 -8.650 14.290 1.00 0.00 N ATOM 649 CA ARG A 42 6.688 -7.306 14.766 1.00 0.00 C ATOM 650 C ARG A 42 7.223 -6.436 13.632 1.00 0.00 C ATOM 651 O ARG A 42 8.430 -6.229 13.513 1.00 0.00 O ATOM 652 CB ARG A 42 7.709 -7.363 15.904 1.00 0.00 C ATOM 653 CG ARG A 42 7.330 -8.329 17.015 1.00 0.00 C ATOM 654 CD ARG A 42 6.156 -7.809 17.829 1.00 0.00 C ATOM 655 NE ARG A 42 6.048 -8.478 19.123 1.00 0.00 N ATOM 656 CZ ARG A 42 6.796 -8.167 20.175 1.00 0.00 C ATOM 657 NH1 ARG A 42 7.702 -7.202 20.088 1.00 0.00 N ATOM 658 NH2 ARG A 42 6.639 -8.821 21.319 1.00 0.00 N ATOM 0 H ARG A 42 7.180 -9.142 13.882 1.00 0.00 H new ATOM 0 HA ARG A 42 5.764 -6.862 15.137 1.00 0.00 H new ATOM 0 HB2 ARG A 42 8.678 -7.653 15.497 1.00 0.00 H new ATOM 0 HB3 ARG A 42 7.826 -6.365 16.326 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.075 -9.298 16.585 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.187 -8.486 17.670 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.269 -6.736 17.984 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.233 -7.954 17.268 1.00 0.00 H new ATOM 0 HE ARG A 42 5.361 -9.225 19.224 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.826 -6.696 19.211 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.275 -6.966 20.898 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.943 -9.563 21.391 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.214 -8.581 22.127 1.00 0.00 H new ATOM 672 N GLN A 43 6.315 -5.929 12.804 1.00 0.00 N ATOM 673 CA GLN A 43 6.696 -5.083 11.679 1.00 0.00 C ATOM 674 C GLN A 43 6.410 -3.616 11.981 1.00 0.00 C ATOM 675 O GLN A 43 5.274 -3.240 12.273 1.00 0.00 O ATOM 676 CB GLN A 43 5.949 -5.511 10.415 1.00 0.00 C ATOM 677 CG GLN A 43 5.895 -4.432 9.345 1.00 0.00 C ATOM 678 CD GLN A 43 5.154 -4.880 8.101 1.00 0.00 C ATOM 679 OE1 GLN A 43 5.722 -5.541 7.231 1.00 0.00 O ATOM 680 NE2 GLN A 43 3.878 -4.523 8.011 1.00 0.00 N ATOM 0 H GLN A 43 5.311 -6.089 12.891 1.00 0.00 H new ATOM 0 HA GLN A 43 7.767 -5.200 11.516 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.430 -6.397 10.001 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.932 -5.796 10.683 1.00 0.00 H new ATOM 0 HG2 GLN A 43 5.410 -3.545 9.753 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.911 -4.143 9.074 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.448 -3.975 8.756 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.328 -4.797 7.197 1.00 0.00 H new ATOM 689 N LYS A 44 7.448 -2.789 11.910 1.00 0.00 N ATOM 690 CA LYS A 44 7.309 -1.362 12.174 1.00 0.00 C ATOM 691 C LYS A 44 8.276 -0.553 11.315 1.00 0.00 C ATOM 692 O LYS A 44 9.436 -0.360 11.682 1.00 0.00 O ATOM 693 CB LYS A 44 7.560 -1.070 13.655 1.00 0.00 C ATOM 694 CG LYS A 44 6.291 -1.017 14.488 1.00 0.00 C ATOM 695 CD LYS A 44 5.792 0.409 14.654 1.00 0.00 C ATOM 696 CE LYS A 44 5.145 0.618 16.014 1.00 0.00 C ATOM 697 NZ LYS A 44 4.226 1.790 16.017 1.00 0.00 N ATOM 0 H LYS A 44 8.395 -3.083 11.672 1.00 0.00 H new ATOM 0 HA LYS A 44 6.291 -1.068 11.919 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.219 -1.837 14.061 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.084 -0.118 13.745 1.00 0.00 H new ATOM 0 HG2 LYS A 44 5.518 -1.621 14.013 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.480 -1.454 15.469 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.624 1.103 14.535 1.00 0.00 H new ATOM 0 HD3 LYS A 44 5.072 0.637 13.868 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.592 -0.278 16.294 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.920 0.762 16.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.805 1.899 16.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.759 2.650 15.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.471 1.641 15.317 1.00 0.00 H new ATOM 711 N LEU A 45 7.791 -0.080 10.172 1.00 0.00 N ATOM 712 CA LEU A 45 8.613 0.710 9.261 1.00 0.00 C ATOM 713 C LEU A 45 8.311 2.198 9.408 1.00 0.00 C ATOM 714 O LEU A 45 7.466 2.595 10.212 1.00 0.00 O ATOM 715 CB LEU A 45 8.374 0.269 7.816 1.00 0.00 C ATOM 716 CG LEU A 45 8.419 -1.237 7.557 1.00 0.00 C ATOM 717 CD1 LEU A 45 7.076 -1.874 7.881 1.00 0.00 C ATOM 718 CD2 LEU A 45 8.811 -1.519 6.114 1.00 0.00 C ATOM 0 H LEU A 45 6.833 -0.230 9.854 1.00 0.00 H new ATOM 0 HA LEU A 45 9.659 0.544 9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.400 0.643 7.500 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.120 0.749 7.183 1.00 0.00 H new ATOM 0 HG LEU A 45 9.174 -1.676 8.209 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.126 -2.946 7.691 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.836 -1.703 8.930 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.302 -1.430 7.254 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.838 -2.596 5.948 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.080 -1.067 5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.796 -1.097 5.915 1.00 0.00 H new ATOM 730 N LEU A 46 9.004 3.016 8.625 1.00 0.00 N ATOM 731 CA LEU A 46 8.809 4.462 8.665 1.00 0.00 C ATOM 732 C LEU A 46 7.809 4.906 7.602 1.00 0.00 C ATOM 733 O LEU A 46 7.387 6.061 7.578 1.00 0.00 O ATOM 734 CB LEU A 46 10.143 5.182 8.460 1.00 0.00 C ATOM 735 CG LEU A 46 10.437 5.658 7.037 1.00 0.00 C ATOM 736 CD1 LEU A 46 11.749 6.424 6.991 1.00 0.00 C ATOM 737 CD2 LEU A 46 10.472 4.478 6.076 1.00 0.00 C ATOM 0 H LEU A 46 9.706 2.704 7.954 1.00 0.00 H new ATOM 0 HA LEU A 46 8.409 4.723 9.645 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.173 6.046 9.124 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.946 4.513 8.771 1.00 0.00 H new ATOM 0 HG LEU A 46 9.637 6.330 6.727 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.942 6.755 5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.687 7.291 7.648 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.561 5.776 7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.682 4.836 5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.251 3.781 6.384 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.507 3.971 6.087 1.00 0.00 H new ATOM 749 N GLY A 47 7.433 3.979 6.726 1.00 0.00 N ATOM 750 CA GLY A 47 6.484 4.294 5.675 1.00 0.00 C ATOM 751 C GLY A 47 6.040 3.065 4.907 1.00 0.00 C ATOM 752 O GLY A 47 4.844 2.849 4.704 1.00 0.00 O ATOM 0 H GLY A 47 7.769 3.016 6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 47 5.612 4.781 6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.935 5.007 4.985 1.00 0.00 H new ATOM 756 N LEU A 48 7.003 2.257 4.478 1.00 0.00 N ATOM 757 CA LEU A 48 6.705 1.043 3.727 1.00 0.00 C ATOM 758 C LEU A 48 5.919 0.053 4.581 1.00 0.00 C ATOM 759 O LEU A 48 6.036 0.043 5.806 1.00 0.00 O ATOM 760 CB LEU A 48 8.000 0.393 3.235 1.00 0.00 C ATOM 761 CG LEU A 48 7.871 -1.028 2.686 1.00 0.00 C ATOM 762 CD1 LEU A 48 7.079 -1.030 1.388 1.00 0.00 C ATOM 763 CD2 LEU A 48 9.247 -1.645 2.475 1.00 0.00 C ATOM 0 H LEU A 48 7.997 2.421 4.637 1.00 0.00 H new ATOM 0 HA LEU A 48 6.094 1.318 2.867 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.427 1.025 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.712 0.379 4.060 1.00 0.00 H new ATOM 0 HG LEU A 48 7.332 -1.631 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.998 -2.050 1.013 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.082 -0.630 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.589 -0.411 0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 48 9.136 -2.656 2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.811 -1.041 1.765 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.780 -1.680 3.425 1.00 0.00 H new ATOM 775 N LYS A 49 5.118 -0.780 3.925 1.00 0.00 N ATOM 776 CA LYS A 49 4.314 -1.777 4.622 1.00 0.00 C ATOM 777 C LYS A 49 3.432 -1.121 5.680 1.00 0.00 C ATOM 778 O LYS A 49 3.777 -1.097 6.862 1.00 0.00 O ATOM 779 CB LYS A 49 5.218 -2.825 5.274 1.00 0.00 C ATOM 780 CG LYS A 49 5.286 -4.133 4.504 1.00 0.00 C ATOM 781 CD LYS A 49 3.910 -4.758 4.343 1.00 0.00 C ATOM 782 CE LYS A 49 4.006 -6.223 3.946 1.00 0.00 C ATOM 783 NZ LYS A 49 4.137 -7.112 5.133 1.00 0.00 N ATOM 0 H LYS A 49 5.008 -0.784 2.911 1.00 0.00 H new ATOM 0 HA LYS A 49 3.671 -2.266 3.890 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.224 -2.416 5.369 1.00 0.00 H new ATOM 0 HB3 LYS A 49 4.859 -3.025 6.283 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.723 -3.955 3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.944 -4.829 5.025 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.357 -4.669 5.278 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.347 -4.211 3.587 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.119 -6.504 3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.864 -6.366 3.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.654 -7.974 4.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.657 -6.615 5.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.191 -7.369 5.480 1.00 0.00 H new ATOM 797 N VAL A 50 2.292 -0.592 5.249 1.00 0.00 N ATOM 798 CA VAL A 50 1.359 0.062 6.159 1.00 0.00 C ATOM 799 C VAL A 50 0.347 -0.933 6.716 1.00 0.00 C ATOM 800 O VAL A 50 -0.204 -1.753 5.981 1.00 0.00 O ATOM 801 CB VAL A 50 0.605 1.210 5.462 1.00 0.00 C ATOM 802 CG1 VAL A 50 -0.145 0.694 4.244 1.00 0.00 C ATOM 803 CG2 VAL A 50 -0.346 1.890 6.436 1.00 0.00 C ATOM 0 H VAL A 50 1.992 -0.603 4.274 1.00 0.00 H new ATOM 0 HA VAL A 50 1.950 0.472 6.978 1.00 0.00 H new ATOM 0 HB VAL A 50 1.333 1.948 5.124 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.672 1.519 3.765 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.562 0.257 3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.864 -0.064 4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.871 2.699 5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.070 1.163 6.805 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.220 2.296 7.274 1.00 0.00 H new ATOM 813 N LYS A 51 0.105 -0.855 8.020 1.00 0.00 N ATOM 814 CA LYS A 51 -0.844 -1.747 8.677 1.00 0.00 C ATOM 815 C LYS A 51 -2.267 -1.473 8.203 1.00 0.00 C ATOM 816 O LYS A 51 -2.669 -0.320 8.049 1.00 0.00 O ATOM 817 CB LYS A 51 -0.760 -1.584 10.196 1.00 0.00 C ATOM 818 CG LYS A 51 -1.545 -0.395 10.724 1.00 0.00 C ATOM 819 CD LYS A 51 -0.981 0.919 10.209 1.00 0.00 C ATOM 820 CE LYS A 51 -1.683 2.112 10.839 1.00 0.00 C ATOM 821 NZ LYS A 51 -1.364 2.242 12.287 1.00 0.00 N ATOM 0 H LYS A 51 0.553 -0.183 8.643 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.584 -2.772 8.413 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.129 -2.493 10.672 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.286 -1.475 10.484 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.589 -0.486 10.425 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.524 -0.399 11.814 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.086 0.968 10.425 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.089 0.963 9.125 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.388 3.023 10.319 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.761 2.008 10.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.689 3.167 12.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.843 1.486 12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.336 2.163 12.424 1.00 0.00 H new ATOM 835 N GLY A 52 -3.026 -2.540 7.975 1.00 0.00 N ATOM 836 CA GLY A 52 -4.397 -2.392 7.522 1.00 0.00 C ATOM 837 C GLY A 52 -4.498 -2.245 6.017 1.00 0.00 C ATOM 838 O GLY A 52 -5.594 -2.264 5.455 1.00 0.00 O ATOM 0 H GLY A 52 -2.716 -3.504 8.096 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.977 -3.259 7.839 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -4.842 -1.519 8.000 1.00 0.00 H new ATOM 842 N LYS A 53 -3.353 -2.096 5.361 1.00 0.00 N ATOM 843 CA LYS A 53 -3.315 -1.944 3.911 1.00 0.00 C ATOM 844 C LYS A 53 -1.976 -2.410 3.350 1.00 0.00 C ATOM 845 O LYS A 53 -1.164 -1.615 2.875 1.00 0.00 O ATOM 846 CB LYS A 53 -3.562 -0.484 3.524 1.00 0.00 C ATOM 847 CG LYS A 53 -5.004 -0.042 3.707 1.00 0.00 C ATOM 848 CD LYS A 53 -5.322 1.184 2.868 1.00 0.00 C ATOM 849 CE LYS A 53 -4.672 2.435 3.440 1.00 0.00 C ATOM 850 NZ LYS A 53 -5.497 3.045 4.520 1.00 0.00 N ATOM 0 H LYS A 53 -2.438 -2.077 5.811 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.103 -2.565 3.485 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.915 0.157 4.124 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.276 -0.340 2.482 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -5.673 -0.857 3.430 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -5.187 0.178 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.975 1.027 1.847 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -6.402 1.323 2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.687 2.185 3.833 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -4.522 3.163 2.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.020 3.895 4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.429 3.307 4.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.619 2.360 5.293 1.00 0.00 H new ATOM 864 N PRO A 54 -1.737 -3.729 3.403 1.00 0.00 N ATOM 865 CA PRO A 54 -0.498 -4.330 2.902 1.00 0.00 C ATOM 866 C PRO A 54 -0.399 -4.275 1.381 1.00 0.00 C ATOM 867 O PRO A 54 -1.395 -4.446 0.679 1.00 0.00 O ATOM 868 CB PRO A 54 -0.590 -5.782 3.379 1.00 0.00 C ATOM 869 CG PRO A 54 -2.049 -6.040 3.526 1.00 0.00 C ATOM 870 CD PRO A 54 -2.660 -4.735 3.955 1.00 0.00 C ATOM 0 HA PRO A 54 0.385 -3.803 3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.138 -6.465 2.659 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.066 -5.922 4.324 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.481 -6.383 2.586 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -2.235 -6.819 4.265 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.669 -4.614 3.560 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.732 -4.662 5.040 1.00 0.00 H new ATOM 878 N ALA A 55 0.808 -4.034 0.880 1.00 0.00 N ATOM 879 CA ALA A 55 1.036 -3.959 -0.558 1.00 0.00 C ATOM 880 C ALA A 55 0.441 -5.168 -1.273 1.00 0.00 C ATOM 881 O ALA A 55 0.712 -6.311 -0.906 1.00 0.00 O ATOM 882 CB ALA A 55 2.525 -3.850 -0.851 1.00 0.00 C ATOM 0 H ALA A 55 1.642 -3.887 1.448 1.00 0.00 H new ATOM 0 HA ALA A 55 0.536 -3.066 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.681 -3.795 -1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.924 -2.951 -0.380 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.039 -4.726 -0.455 1.00 0.00 H new ATOM 888 N GLU A 56 -0.370 -4.906 -2.293 1.00 0.00 N ATOM 889 CA GLU A 56 -1.003 -5.974 -3.058 1.00 0.00 C ATOM 890 C GLU A 56 0.026 -6.729 -3.894 1.00 0.00 C ATOM 891 O GLU A 56 1.011 -6.152 -4.354 1.00 0.00 O ATOM 892 CB GLU A 56 -2.095 -5.404 -3.965 1.00 0.00 C ATOM 893 CG GLU A 56 -3.083 -6.448 -4.459 1.00 0.00 C ATOM 894 CD GLU A 56 -4.417 -5.847 -4.855 1.00 0.00 C ATOM 895 OE1 GLU A 56 -4.421 -4.889 -5.657 1.00 0.00 O ATOM 896 OE2 GLU A 56 -5.457 -6.333 -4.364 1.00 0.00 O ATOM 0 H GLU A 56 -0.604 -3.965 -2.608 1.00 0.00 H new ATOM 0 HA GLU A 56 -1.454 -6.672 -2.353 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.638 -4.630 -3.423 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.627 -4.923 -4.824 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.656 -6.971 -5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.241 -7.191 -3.678 1.00 0.00 H new ATOM 903 N ASN A 57 -0.210 -8.023 -4.087 1.00 0.00 N ATOM 904 CA ASN A 57 0.697 -8.857 -4.867 1.00 0.00 C ATOM 905 C ASN A 57 0.782 -8.367 -6.309 1.00 0.00 C ATOM 906 O ASN A 57 1.805 -8.536 -6.974 1.00 0.00 O ATOM 907 CB ASN A 57 0.233 -10.315 -4.839 1.00 0.00 C ATOM 908 CG ASN A 57 -1.180 -10.482 -5.363 1.00 0.00 C ATOM 909 OD1 ASN A 57 -1.436 -10.311 -6.555 1.00 0.00 O ATOM 910 ND2 ASN A 57 -2.106 -10.818 -4.472 1.00 0.00 N ATOM 0 H ASN A 57 -1.021 -8.516 -3.714 1.00 0.00 H new ATOM 0 HA ASN A 57 1.689 -8.789 -4.420 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.913 -10.921 -5.437 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.285 -10.691 -3.817 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.074 -10.945 -4.766 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.849 -10.950 -3.494 1.00 0.00 H new ATOM 917 N ASP A 58 -0.298 -7.758 -6.786 1.00 0.00 N ATOM 918 CA ASP A 58 -0.345 -7.241 -8.148 1.00 0.00 C ATOM 919 C ASP A 58 0.791 -6.253 -8.395 1.00 0.00 C ATOM 920 O ASP A 58 1.191 -6.022 -9.536 1.00 0.00 O ATOM 921 CB ASP A 58 -1.691 -6.565 -8.414 1.00 0.00 C ATOM 922 CG ASP A 58 -1.651 -5.649 -9.622 1.00 0.00 C ATOM 923 OD1 ASP A 58 -1.239 -6.114 -10.705 1.00 0.00 O ATOM 924 OD2 ASP A 58 -2.033 -4.468 -9.483 1.00 0.00 O ATOM 0 H ASP A 58 -1.153 -7.610 -6.249 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.227 -8.081 -8.832 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.454 -7.329 -8.566 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.985 -5.990 -7.536 1.00 0.00 H new ATOM 929 N VAL A 59 1.308 -5.672 -7.316 1.00 0.00 N ATOM 930 CA VAL A 59 2.398 -4.709 -7.415 1.00 0.00 C ATOM 931 C VAL A 59 3.626 -5.334 -8.067 1.00 0.00 C ATOM 932 O VAL A 59 4.039 -6.438 -7.710 1.00 0.00 O ATOM 933 CB VAL A 59 2.790 -4.161 -6.030 1.00 0.00 C ATOM 934 CG1 VAL A 59 3.969 -3.207 -6.147 1.00 0.00 C ATOM 935 CG2 VAL A 59 1.601 -3.474 -5.374 1.00 0.00 C ATOM 0 H VAL A 59 0.989 -5.852 -6.364 1.00 0.00 H new ATOM 0 HA VAL A 59 2.039 -3.888 -8.035 1.00 0.00 H new ATOM 0 HB VAL A 59 3.092 -4.997 -5.399 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.232 -2.830 -5.159 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.823 -3.734 -6.573 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.699 -2.372 -6.794 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.895 -3.093 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.267 -2.647 -6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.788 -4.190 -5.255 1.00 0.00 H new ATOM 945 N LYS A 60 4.207 -4.622 -9.027 1.00 0.00 N ATOM 946 CA LYS A 60 5.389 -5.105 -9.730 1.00 0.00 C ATOM 947 C LYS A 60 6.259 -3.941 -10.194 1.00 0.00 C ATOM 948 O LYS A 60 5.858 -2.779 -10.107 1.00 0.00 O ATOM 949 CB LYS A 60 4.980 -5.961 -10.930 1.00 0.00 C ATOM 950 CG LYS A 60 3.837 -5.370 -11.737 1.00 0.00 C ATOM 951 CD LYS A 60 4.298 -4.925 -13.115 1.00 0.00 C ATOM 952 CE LYS A 60 4.146 -6.038 -14.140 1.00 0.00 C ATOM 953 NZ LYS A 60 3.829 -5.505 -15.494 1.00 0.00 N ATOM 0 H LYS A 60 3.878 -3.707 -9.336 1.00 0.00 H new ATOM 0 HA LYS A 60 5.969 -5.716 -9.038 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.843 -6.094 -11.582 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.691 -6.951 -10.578 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.043 -6.109 -11.839 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.414 -4.520 -11.202 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.719 -4.057 -13.431 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.341 -4.613 -13.068 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.067 -6.619 -14.185 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.355 -6.718 -13.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.733 -6.294 -16.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.937 -4.972 -15.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.595 -4.876 -15.808 1.00 0.00 H new ATOM 967 N LEU A 61 7.450 -4.259 -10.689 1.00 0.00 N ATOM 968 CA LEU A 61 8.376 -3.239 -11.170 1.00 0.00 C ATOM 969 C LEU A 61 7.690 -2.305 -12.161 1.00 0.00 C ATOM 970 O LEU A 61 7.724 -1.085 -12.005 1.00 0.00 O ATOM 971 CB LEU A 61 9.591 -3.895 -11.827 1.00 0.00 C ATOM 972 CG LEU A 61 10.506 -2.966 -12.626 1.00 0.00 C ATOM 973 CD1 LEU A 61 11.194 -1.972 -11.703 1.00 0.00 C ATOM 974 CD2 LEU A 61 11.534 -3.771 -13.407 1.00 0.00 C ATOM 0 H LEU A 61 7.797 -5.215 -10.768 1.00 0.00 H new ATOM 0 HA LEU A 61 8.707 -2.651 -10.314 1.00 0.00 H new ATOM 0 HB2 LEU A 61 10.184 -4.375 -11.049 1.00 0.00 H new ATOM 0 HB3 LEU A 61 9.238 -4.684 -12.491 1.00 0.00 H new ATOM 0 HG LEU A 61 9.895 -2.409 -13.336 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.841 -1.319 -12.289 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.443 -1.372 -11.189 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.792 -2.511 -10.968 1.00 0.00 H new ATOM 0 HD21 LEU A 61 12.176 -3.093 -13.969 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.141 -4.355 -12.715 1.00 0.00 H new ATOM 0 HD23 LEU A 61 11.023 -4.442 -14.097 1.00 0.00 H new ATOM 986 N GLY A 62 7.066 -2.886 -13.181 1.00 0.00 N ATOM 987 CA GLY A 62 6.379 -2.091 -14.181 1.00 0.00 C ATOM 988 C GLY A 62 5.288 -1.224 -13.584 1.00 0.00 C ATOM 989 O GLY A 62 4.810 -0.288 -14.224 1.00 0.00 O ATOM 0 H GLY A 62 7.024 -3.894 -13.332 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.101 -1.457 -14.696 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.944 -2.752 -14.930 1.00 0.00 H new ATOM 993 N ALA A 63 4.893 -1.536 -12.354 1.00 0.00 N ATOM 994 CA ALA A 63 3.853 -0.778 -11.670 1.00 0.00 C ATOM 995 C ALA A 63 4.455 0.323 -10.804 1.00 0.00 C ATOM 996 O ALA A 63 3.773 1.282 -10.438 1.00 0.00 O ATOM 997 CB ALA A 63 2.992 -1.707 -10.826 1.00 0.00 C ATOM 0 H ALA A 63 5.278 -2.309 -11.811 1.00 0.00 H new ATOM 0 HA ALA A 63 3.225 -0.306 -12.426 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.219 -1.128 -10.321 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.524 -2.453 -11.468 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.615 -2.206 -10.084 1.00 0.00 H new ATOM 1003 N LEU A 64 5.734 0.179 -10.477 1.00 0.00 N ATOM 1004 CA LEU A 64 6.428 1.161 -9.652 1.00 0.00 C ATOM 1005 C LEU A 64 7.445 1.944 -10.477 1.00 0.00 C ATOM 1006 O LEU A 64 7.300 3.150 -10.680 1.00 0.00 O ATOM 1007 CB LEU A 64 7.129 0.470 -8.481 1.00 0.00 C ATOM 1008 CG LEU A 64 6.261 -0.464 -7.637 1.00 0.00 C ATOM 1009 CD1 LEU A 64 7.130 -1.429 -6.845 1.00 0.00 C ATOM 1010 CD2 LEU A 64 5.364 0.338 -6.705 1.00 0.00 C ATOM 0 H LEU A 64 6.312 -0.609 -10.771 1.00 0.00 H new ATOM 0 HA LEU A 64 5.687 1.860 -9.263 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.969 -0.103 -8.873 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.544 1.238 -7.828 1.00 0.00 H new ATOM 0 HG LEU A 64 5.627 -1.045 -8.307 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.495 -2.086 -6.250 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.729 -2.027 -7.532 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.790 -0.866 -6.184 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.753 -0.343 -6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.979 0.945 -6.041 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.716 0.987 -7.293 1.00 0.00 H new ATOM 1022 N LYS A 65 8.473 1.250 -10.953 1.00 0.00 N ATOM 1023 CA LYS A 65 9.513 1.878 -11.759 1.00 0.00 C ATOM 1024 C LYS A 65 10.202 2.996 -10.984 1.00 0.00 C ATOM 1025 O LYS A 65 10.632 3.994 -11.564 1.00 0.00 O ATOM 1026 CB LYS A 65 8.917 2.434 -13.055 1.00 0.00 C ATOM 1027 CG LYS A 65 8.738 1.387 -14.140 1.00 0.00 C ATOM 1028 CD LYS A 65 10.017 1.182 -14.934 1.00 0.00 C ATOM 1029 CE LYS A 65 9.724 0.768 -16.368 1.00 0.00 C ATOM 1030 NZ LYS A 65 9.085 1.868 -17.142 1.00 0.00 N ATOM 0 H LYS A 65 8.608 0.252 -10.794 1.00 0.00 H new ATOM 0 HA LYS A 65 10.256 1.119 -12.004 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.950 2.887 -12.835 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.563 3.228 -13.431 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.434 0.443 -13.689 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.936 1.692 -14.812 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.599 2.104 -14.932 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.627 0.419 -14.452 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.652 0.471 -16.857 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.070 -0.104 -16.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.278 1.737 -18.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.058 1.855 -16.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.472 2.782 -16.831 1.00 0.00 H new ATOM 1044 N LEU A 66 10.306 2.822 -9.671 1.00 0.00 N ATOM 1045 CA LEU A 66 10.945 3.816 -8.816 1.00 0.00 C ATOM 1046 C LEU A 66 12.428 3.509 -8.638 1.00 0.00 C ATOM 1047 O LEU A 66 12.945 2.541 -9.196 1.00 0.00 O ATOM 1048 CB LEU A 66 10.255 3.863 -7.451 1.00 0.00 C ATOM 1049 CG LEU A 66 9.346 5.067 -7.199 1.00 0.00 C ATOM 1050 CD1 LEU A 66 8.063 4.632 -6.508 1.00 0.00 C ATOM 1051 CD2 LEU A 66 10.071 6.118 -6.371 1.00 0.00 C ATOM 0 H LEU A 66 9.956 2.002 -9.175 1.00 0.00 H new ATOM 0 HA LEU A 66 10.850 4.789 -9.298 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.663 2.955 -7.334 1.00 0.00 H new ATOM 0 HB3 LEU A 66 11.023 3.845 -6.677 1.00 0.00 H new ATOM 0 HG LEU A 66 9.084 5.508 -8.161 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.429 5.502 -6.337 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.535 3.916 -7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 66 8.304 4.165 -5.553 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.409 6.967 -6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.363 5.688 -5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.961 6.452 -6.905 1.00 0.00 H new ATOM 1063 N LYS A 67 13.109 4.339 -7.854 1.00 0.00 N ATOM 1064 CA LYS A 67 14.533 4.155 -7.598 1.00 0.00 C ATOM 1065 C LYS A 67 14.785 3.833 -6.129 1.00 0.00 C ATOM 1066 O LYS A 67 13.999 4.184 -5.248 1.00 0.00 O ATOM 1067 CB LYS A 67 15.310 5.412 -7.996 1.00 0.00 C ATOM 1068 CG LYS A 67 15.126 6.571 -7.033 1.00 0.00 C ATOM 1069 CD LYS A 67 15.957 7.775 -7.443 1.00 0.00 C ATOM 1070 CE LYS A 67 15.555 8.287 -8.818 1.00 0.00 C ATOM 1071 NZ LYS A 67 16.071 9.661 -9.071 1.00 0.00 N ATOM 0 H LYS A 67 12.697 5.146 -7.385 1.00 0.00 H new ATOM 0 HA LYS A 67 14.879 3.315 -8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 67 16.371 5.168 -8.060 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.994 5.724 -8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 67 14.073 6.850 -6.996 1.00 0.00 H new ATOM 0 HG3 LYS A 67 15.409 6.258 -6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 67 15.835 8.570 -6.707 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.013 7.505 -7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 67 15.935 7.610 -9.583 1.00 0.00 H new ATOM 0 HE3 LYS A 67 14.468 8.286 -8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 15.776 9.974 -10.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.689 10.313 -8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 17.110 9.657 -9.016 1.00 0.00 H new ATOM 1085 N PRO A 68 15.906 3.149 -5.855 1.00 0.00 N ATOM 1086 CA PRO A 68 16.288 2.767 -4.493 1.00 0.00 C ATOM 1087 C PRO A 68 16.697 3.968 -3.647 1.00 0.00 C ATOM 1088 O PRO A 68 16.816 3.867 -2.426 1.00 0.00 O ATOM 1089 CB PRO A 68 17.481 1.833 -4.708 1.00 0.00 C ATOM 1090 CG PRO A 68 18.053 2.245 -6.020 1.00 0.00 C ATOM 1091 CD PRO A 68 16.888 2.698 -6.856 1.00 0.00 C ATOM 0 HA PRO A 68 15.461 2.307 -3.952 1.00 0.00 H new ATOM 0 HB2 PRO A 68 18.213 1.935 -3.907 1.00 0.00 H new ATOM 0 HB3 PRO A 68 17.169 0.789 -4.723 1.00 0.00 H new ATOM 0 HG2 PRO A 68 18.779 3.048 -5.894 1.00 0.00 H new ATOM 0 HG3 PRO A 68 18.575 1.415 -6.496 1.00 0.00 H new ATOM 0 HD2 PRO A 68 17.169 3.503 -7.535 1.00 0.00 H new ATOM 0 HD3 PRO A 68 16.494 1.888 -7.469 1.00 0.00 H new ATOM 1099 N ASN A 69 16.909 5.104 -4.303 1.00 0.00 N ATOM 1100 CA ASN A 69 17.304 6.325 -3.610 1.00 0.00 C ATOM 1101 C ASN A 69 16.327 6.653 -2.486 1.00 0.00 C ATOM 1102 O ASN A 69 16.676 7.340 -1.525 1.00 0.00 O ATOM 1103 CB ASN A 69 17.378 7.493 -4.595 1.00 0.00 C ATOM 1104 CG ASN A 69 18.170 8.664 -4.045 1.00 0.00 C ATOM 1105 OD1 ASN A 69 17.643 9.488 -3.298 1.00 0.00 O ATOM 1106 ND2 ASN A 69 19.444 8.741 -4.413 1.00 0.00 N ATOM 0 H ASN A 69 16.814 5.205 -5.314 1.00 0.00 H new ATOM 0 HA ASN A 69 18.290 6.163 -3.174 1.00 0.00 H new ATOM 0 HB2 ASN A 69 17.835 7.153 -5.524 1.00 0.00 H new ATOM 0 HB3 ASN A 69 16.368 7.823 -4.839 1.00 0.00 H new ATOM 0 HD21 ASN A 69 20.027 9.506 -4.074 1.00 0.00 H new ATOM 0 HD22 ASN A 69 19.839 8.035 -5.034 1.00 0.00 H new ATOM 1113 N THR A 70 15.100 6.156 -2.611 1.00 0.00 N ATOM 1114 CA THR A 70 14.072 6.397 -1.607 1.00 0.00 C ATOM 1115 C THR A 70 14.592 6.098 -0.206 1.00 0.00 C ATOM 1116 O THR A 70 14.392 6.882 0.722 1.00 0.00 O ATOM 1117 CB THR A 70 12.819 5.541 -1.870 1.00 0.00 C ATOM 1118 OG1 THR A 70 13.185 4.327 -2.535 1.00 0.00 O ATOM 1119 CG2 THR A 70 11.810 6.304 -2.716 1.00 0.00 C ATOM 0 H THR A 70 14.795 5.584 -3.398 1.00 0.00 H new ATOM 0 HA THR A 70 13.804 7.451 -1.675 1.00 0.00 H new ATOM 0 HB THR A 70 12.360 5.305 -0.910 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.288 4.498 -3.494 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.934 5.679 -2.889 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.511 7.213 -2.194 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.262 6.567 -3.672 1.00 0.00 H new ATOM 1127 N LYS A 71 15.261 4.960 -0.058 1.00 0.00 N ATOM 1128 CA LYS A 71 15.812 4.557 1.231 1.00 0.00 C ATOM 1129 C LYS A 71 14.701 4.337 2.253 1.00 0.00 C ATOM 1130 O LYS A 71 14.000 5.275 2.633 1.00 0.00 O ATOM 1131 CB LYS A 71 16.789 5.617 1.744 1.00 0.00 C ATOM 1132 CG LYS A 71 18.248 5.265 1.508 1.00 0.00 C ATOM 1133 CD LYS A 71 19.178 6.255 2.189 1.00 0.00 C ATOM 1134 CE LYS A 71 19.702 5.709 3.509 1.00 0.00 C ATOM 1135 NZ LYS A 71 20.002 6.798 4.479 1.00 0.00 N ATOM 0 H LYS A 71 15.435 4.299 -0.815 1.00 0.00 H new ATOM 0 HA LYS A 71 16.345 3.616 1.092 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.570 6.567 1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.627 5.762 2.812 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.446 4.261 1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 71 18.451 5.251 0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 71 20.016 6.482 1.530 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.649 7.191 2.366 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.965 5.031 3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 71 20.604 5.125 3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.356 6.385 5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.724 7.431 4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 19.135 7.340 4.672 1.00 0.00 H new ATOM 1149 N ILE A 72 14.548 3.093 2.695 1.00 0.00 N ATOM 1150 CA ILE A 72 13.524 2.752 3.674 1.00 0.00 C ATOM 1151 C ILE A 72 14.150 2.347 5.005 1.00 0.00 C ATOM 1152 O ILE A 72 15.231 1.761 5.041 1.00 0.00 O ATOM 1153 CB ILE A 72 12.625 1.607 3.173 1.00 0.00 C ATOM 1154 CG1 ILE A 72 11.480 1.360 4.158 1.00 0.00 C ATOM 1155 CG2 ILE A 72 13.442 0.339 2.975 1.00 0.00 C ATOM 1156 CD1 ILE A 72 11.795 0.311 5.201 1.00 0.00 C ATOM 0 H ILE A 72 15.120 2.305 2.391 1.00 0.00 H new ATOM 0 HA ILE A 72 12.915 3.644 3.818 1.00 0.00 H new ATOM 0 HB ILE A 72 12.198 1.895 2.212 1.00 0.00 H new ATOM 0 HG12 ILE A 72 11.234 2.296 4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 72 10.594 1.054 3.603 1.00 0.00 H new ATOM 0 HG21 ILE A 72 12.792 -0.461 2.621 1.00 0.00 H new ATOM 0 HG22 ILE A 72 14.226 0.522 2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 72 13.894 0.046 3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 72 10.939 0.189 5.864 1.00 0.00 H new ATOM 0 HD12 ILE A 72 12.012 -0.637 4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 72 12.662 0.625 5.782 1.00 0.00 H new ATOM 1168 N MET A 73 13.461 2.662 6.097 1.00 0.00 N ATOM 1169 CA MET A 73 13.948 2.328 7.430 1.00 0.00 C ATOM 1170 C MET A 73 13.019 1.330 8.114 1.00 0.00 C ATOM 1171 O MET A 73 11.843 1.613 8.334 1.00 0.00 O ATOM 1172 CB MET A 73 14.073 3.593 8.282 1.00 0.00 C ATOM 1173 CG MET A 73 15.207 4.507 7.850 1.00 0.00 C ATOM 1174 SD MET A 73 16.810 3.970 8.476 1.00 0.00 S ATOM 1175 CE MET A 73 16.933 4.944 9.974 1.00 0.00 C ATOM 0 H MET A 73 12.564 3.148 6.085 1.00 0.00 H new ATOM 0 HA MET A 73 14.931 1.870 7.326 1.00 0.00 H new ATOM 0 HB2 MET A 73 13.135 4.146 8.237 1.00 0.00 H new ATOM 0 HB3 MET A 73 14.225 3.307 9.323 1.00 0.00 H new ATOM 0 HG2 MET A 73 15.241 4.547 6.761 1.00 0.00 H new ATOM 0 HG3 MET A 73 15.006 5.520 8.200 1.00 0.00 H new ATOM 0 HE1 MET A 73 17.875 4.722 10.476 1.00 0.00 H new ATOM 0 HE2 MET A 73 16.896 6.004 9.723 1.00 0.00 H new ATOM 0 HE3 MET A 73 16.103 4.699 10.636 1.00 0.00 H new ATOM 1185 N MET A 74 13.557 0.160 8.446 1.00 0.00 N ATOM 1186 CA MET A 74 12.775 -0.880 9.105 1.00 0.00 C ATOM 1187 C MET A 74 13.086 -0.929 10.598 1.00 0.00 C ATOM 1188 O MET A 74 14.241 -0.810 11.005 1.00 0.00 O ATOM 1189 CB MET A 74 13.058 -2.241 8.468 1.00 0.00 C ATOM 1190 CG MET A 74 11.977 -2.697 7.502 1.00 0.00 C ATOM 1191 SD MET A 74 11.945 -4.487 7.288 1.00 0.00 S ATOM 1192 CE MET A 74 13.688 -4.831 7.058 1.00 0.00 C ATOM 0 H MET A 74 14.530 -0.091 8.270 1.00 0.00 H new ATOM 0 HA MET A 74 11.719 -0.641 8.979 1.00 0.00 H new ATOM 0 HB2 MET A 74 14.010 -2.194 7.939 1.00 0.00 H new ATOM 0 HB3 MET A 74 13.167 -2.986 9.256 1.00 0.00 H new ATOM 0 HG2 MET A 74 11.006 -2.361 7.865 1.00 0.00 H new ATOM 0 HG3 MET A 74 12.137 -2.222 6.534 1.00 0.00 H new ATOM 0 HE1 MET A 74 13.816 -5.521 6.224 1.00 0.00 H new ATOM 0 HE2 MET A 74 14.217 -3.902 6.844 1.00 0.00 H new ATOM 0 HE3 MET A 74 14.093 -5.279 7.965 1.00 0.00 H new ATOM 1202 N MET A 75 12.047 -1.105 11.408 1.00 0.00 N ATOM 1203 CA MET A 75 12.211 -1.171 12.856 1.00 0.00 C ATOM 1204 C MET A 75 11.326 -2.260 13.454 1.00 0.00 C ATOM 1205 O MET A 75 10.171 -2.420 13.062 1.00 0.00 O ATOM 1206 CB MET A 75 11.875 0.180 13.490 1.00 0.00 C ATOM 1207 CG MET A 75 11.682 0.113 14.996 1.00 0.00 C ATOM 1208 SD MET A 75 13.176 -0.402 15.865 1.00 0.00 S ATOM 1209 CE MET A 75 12.530 -0.679 17.513 1.00 0.00 C ATOM 0 H MET A 75 11.084 -1.204 11.087 1.00 0.00 H new ATOM 0 HA MET A 75 13.252 -1.416 13.068 1.00 0.00 H new ATOM 0 HB2 MET A 75 12.674 0.886 13.265 1.00 0.00 H new ATOM 0 HB3 MET A 75 10.966 0.571 13.032 1.00 0.00 H new ATOM 0 HG2 MET A 75 11.372 1.092 15.363 1.00 0.00 H new ATOM 0 HG3 MET A 75 10.875 -0.583 15.224 1.00 0.00 H new ATOM 0 HE1 MET A 75 13.337 -1.004 18.170 1.00 0.00 H new ATOM 0 HE2 MET A 75 12.100 0.247 17.896 1.00 0.00 H new ATOM 0 HE3 MET A 75 11.759 -1.449 17.477 1.00 0.00 H new ATOM 1219 N GLY A 76 11.877 -3.008 14.406 1.00 0.00 N ATOM 1220 CA GLY A 76 11.124 -4.073 15.041 1.00 0.00 C ATOM 1221 C GLY A 76 11.344 -5.416 14.376 1.00 0.00 C ATOM 1222 O GLY A 76 11.114 -6.464 14.981 1.00 0.00 O ATOM 0 H GLY A 76 12.831 -2.895 14.748 1.00 0.00 H new ATOM 0 HA2 GLY A 76 11.410 -4.140 16.091 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.062 -3.828 15.015 1.00 0.00 H new ATOM 1226 N THR A 77 11.791 -5.389 13.124 1.00 0.00 N ATOM 1227 CA THR A 77 12.040 -6.613 12.374 1.00 0.00 C ATOM 1228 C THR A 77 13.383 -7.227 12.754 1.00 0.00 C ATOM 1229 O THR A 77 14.439 -6.689 12.421 1.00 0.00 O ATOM 1230 CB THR A 77 12.018 -6.356 10.855 1.00 0.00 C ATOM 1231 OG1 THR A 77 12.928 -5.302 10.523 1.00 0.00 O ATOM 1232 CG2 THR A 77 10.617 -5.989 10.389 1.00 0.00 C ATOM 0 H THR A 77 11.988 -4.531 12.608 1.00 0.00 H new ATOM 0 HA THR A 77 11.240 -7.308 12.629 1.00 0.00 H new ATOM 0 HB THR A 77 12.324 -7.272 10.349 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.723 -5.365 11.092 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.626 -5.812 9.313 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.932 -6.806 10.617 1.00 0.00 H new ATOM 0 HG23 THR A 77 10.288 -5.086 10.903 1.00 0.00 H new