USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 474 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 ASN : amide:sc= -0.0159 K(o=-0.016,f=-1.2!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 178:sc= 1.55 (180deg=1.55) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc=-0.00755 K(o=-0.0075,f=-1) USER MOD Single : A 35 SER OG : rot 180:sc= 0.199 USER MOD Single : A 38 GLN : amide:sc= -0.0344 X(o=-0.034,f=-0.18) USER MOD Single : A 40 MET CE :methyl 163:sc= -0.0462 (180deg=-0.214) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 138:sc= -0.239 (180deg=-1.49) USER MOD Single : A 45 ASN : amide:sc= -0.0299 K(o=-0.03,f=-1.2!) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -73:sc= 1.02 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 171:sc= 0.917 (180deg=0.853) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.17) USER MOD Single : A 63 ASN : amide:sc= -0.0555 K(o=-0.055,f=-1.5!) USER MOD Single : A 65 TYR OH : rot -166:sc= 0.893 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 11 -1.534 -1.453 -1.559 1.00 49.53 N ATOM 2 CA TRP A 11 -0.513 -0.758 -0.785 1.00 50.07 C ATOM 3 C TRP A 11 -1.107 0.415 -0.017 1.00 50.51 C ATOM 4 O TRP A 11 -1.961 1.137 -0.531 1.00 49.49 O ATOM 5 CB TRP A 11 0.611 -0.270 -1.701 1.00 49.82 C ATOM 6 CG TRP A 11 1.852 -1.107 -1.625 1.00 49.97 C ATOM 7 CD1 TRP A 11 2.216 -2.106 -2.478 1.00 50.03 C ATOM 8 CD2 TRP A 11 2.891 -1.019 -0.642 1.00 49.98 C ATOM 9 NE1 TRP A 11 3.416 -2.647 -2.088 1.00 49.39 N ATOM 10 CE2 TRP A 11 3.853 -1.994 -0.963 1.00 50.13 C ATOM 11 CE3 TRP A 11 3.102 -0.206 0.479 1.00 49.88 C ATOM 12 CZ2 TRP A 11 5.000 -2.181 -0.209 1.00 49.88 C ATOM 13 CZ3 TRP A 11 4.253 -0.394 1.234 1.00 49.88 C ATOM 14 CH2 TRP A 11 5.176 -1.353 0.899 1.00 49.88 C ATOM 0 HA TRP A 11 -0.102 -1.465 -0.064 1.00 50.07 H new ATOM 0 HB2 TRP A 11 0.252 -0.260 -2.730 1.00 49.82 H new ATOM 0 HB3 TRP A 11 0.860 0.759 -1.441 1.00 49.82 H new ATOM 0 HD1 TRP A 11 1.643 -2.426 -3.336 1.00 50.03 H new ATOM 0 HE1 TRP A 11 3.903 -3.410 -2.558 1.00 49.39 H new ATOM 0 HE3 TRP A 11 2.383 0.553 0.751 1.00 49.88 H new ATOM 0 HZ2 TRP A 11 5.727 -2.936 -0.468 1.00 49.88 H new ATOM 0 HZ3 TRP A 11 4.425 0.226 2.101 1.00 49.88 H new ATOM 0 HH2 TRP A 11 6.060 -1.469 1.508 1.00 49.88 H new ATOM 25 N ASN A 12 -0.650 0.601 1.217 1.00 49.53 N ATOM 26 CA ASN A 12 -1.141 1.684 2.061 1.00 50.07 C ATOM 27 C ASN A 12 -0.572 3.026 1.621 1.00 50.51 C ATOM 28 O ASN A 12 -1.267 4.042 1.642 1.00 49.49 O ATOM 29 CB ASN A 12 -0.824 1.433 3.524 1.00 49.82 C ATOM 30 CG ASN A 12 -1.641 0.332 4.141 1.00 50.55 C ATOM 31 OD1 ASN A 12 -2.724 -0.013 3.652 1.00 49.45 O ATOM 32 ND2 ASN A 12 -1.171 -0.163 5.257 1.00 49.38 N ATOM 0 H ASN A 12 0.061 0.015 1.655 1.00 49.53 H new ATOM 0 HA ASN A 12 -2.225 1.715 1.948 1.00 50.07 H new ATOM 0 HB2 ASN A 12 0.233 1.186 3.620 1.00 49.82 H new ATOM 0 HB3 ASN A 12 -0.988 2.353 4.085 1.00 49.82 H new ATOM 0 HD21 ASN A 12 -1.704 -0.868 5.767 1.00 49.38 H new ATOM 0 HD22 ASN A 12 -0.272 0.156 5.618 1.00 49.38 H new ATOM 39 N THR A 13 0.696 3.025 1.224 1.00 49.53 N ATOM 40 CA THR A 13 1.365 4.246 0.792 1.00 50.07 C ATOM 41 C THR A 13 2.163 4.014 -0.485 1.00 50.51 C ATOM 42 O THR A 13 2.997 3.111 -0.550 1.00 49.49 O ATOM 43 CB THR A 13 2.305 4.792 1.882 1.00 50.14 C ATOM 44 OG1 THR A 13 1.563 5.021 3.087 1.00 49.34 O ATOM 45 CG2 THR A 13 2.945 6.096 1.429 1.00 49.73 C ATOM 0 H THR A 13 1.282 2.191 1.193 1.00 49.53 H new ATOM 0 HA THR A 13 0.583 4.981 0.600 1.00 50.07 H new ATOM 0 HB THR A 13 3.090 4.058 2.065 1.00 50.14 H new ATOM 0 HG1 THR A 13 2.163 5.367 3.780 1.00 49.34 H new ATOM 0 HG21 THR A 13 3.606 6.468 2.212 1.00 49.73 H new ATOM 0 HG22 THR A 13 3.521 5.922 0.520 1.00 49.73 H new ATOM 0 HG23 THR A 13 2.167 6.833 1.231 1.00 49.73 H new ATOM 53 N LYS A 14 1.903 4.835 -1.497 1.00 49.53 N ATOM 54 CA LYS A 14 2.569 4.695 -2.786 1.00 50.07 C ATOM 55 C LYS A 14 4.066 4.944 -2.664 1.00 50.51 C ATOM 56 O LYS A 14 4.871 4.276 -3.313 1.00 49.49 O ATOM 57 CB LYS A 14 1.958 5.652 -3.811 1.00 49.82 C ATOM 58 CG LYS A 14 0.536 5.302 -4.230 1.00 49.82 C ATOM 59 CD LYS A 14 -0.008 6.307 -5.235 1.00 49.82 C ATOM 60 CE LYS A 14 -1.439 5.977 -5.628 1.00 50.21 C ATOM 61 NZ LYS A 14 -2.001 6.977 -6.577 1.00 49.70 N ATOM 0 H LYS A 14 1.235 5.605 -1.449 1.00 49.53 H new ATOM 0 HA LYS A 14 2.422 3.670 -3.127 1.00 50.07 H new ATOM 0 HB2 LYS A 14 1.964 6.660 -3.397 1.00 49.82 H new ATOM 0 HB3 LYS A 14 2.592 5.668 -4.698 1.00 49.82 H new ATOM 0 HG2 LYS A 14 0.519 4.303 -4.666 1.00 49.82 H new ATOM 0 HG3 LYS A 14 -0.109 5.278 -3.351 1.00 49.82 H new ATOM 0 HD2 LYS A 14 0.032 7.309 -4.808 1.00 49.82 H new ATOM 0 HD3 LYS A 14 0.623 6.314 -6.124 1.00 49.82 H new ATOM 0 HE2 LYS A 14 -1.471 4.987 -6.083 1.00 50.21 H new ATOM 0 HE3 LYS A 14 -2.061 5.937 -4.734 1.00 50.21 H new ATOM 0 HZ1 LYS A 14 -2.978 6.715 -6.819 1.00 49.70 H new ATOM 0 HZ2 LYS A 14 -1.995 7.918 -6.134 1.00 49.70 H new ATOM 0 HZ3 LYS A 14 -1.424 6.998 -7.442 1.00 49.70 H new ATOM 75 N GLU A 15 4.434 5.909 -1.828 1.00 49.53 N ATOM 76 CA GLU A 15 5.837 6.245 -1.616 1.00 50.07 C ATOM 77 C GLU A 15 6.585 5.094 -0.958 1.00 50.51 C ATOM 78 O GLU A 15 7.748 4.837 -1.269 1.00 49.49 O ATOM 79 CB GLU A 15 5.961 7.509 -0.761 1.00 49.82 C ATOM 80 CG GLU A 15 5.499 8.783 -1.453 1.00 49.72 C ATOM 81 CD GLU A 15 6.248 9.011 -2.736 1.00 50.62 C ATOM 82 OE1 GLU A 15 7.455 8.967 -2.713 1.00 49.24 O ATOM 83 OE2 GLU A 15 5.616 9.118 -3.759 1.00 49.24 O ATOM 0 H GLU A 15 3.779 6.473 -1.286 1.00 49.53 H new ATOM 0 HA GLU A 15 6.287 6.431 -2.591 1.00 50.07 H new ATOM 0 HB2 GLU A 15 5.380 7.374 0.151 1.00 49.82 H new ATOM 0 HB3 GLU A 15 7.002 7.630 -0.461 1.00 49.82 H new ATOM 0 HG2 GLU A 15 4.431 8.720 -1.660 1.00 49.72 H new ATOM 0 HG3 GLU A 15 5.645 9.634 -0.788 1.00 49.72 H new ATOM 90 N GLU A 16 5.912 4.400 -0.045 1.00 49.53 N ATOM 91 CA GLU A 16 6.486 3.230 0.605 1.00 50.07 C ATOM 92 C GLU A 16 6.660 2.081 -0.380 1.00 50.51 C ATOM 93 O GLU A 16 7.615 1.310 -0.288 1.00 49.49 O ATOM 94 CB GLU A 16 5.611 2.786 1.780 1.00 49.82 C ATOM 95 CG GLU A 16 5.667 3.708 2.989 1.00 49.72 C ATOM 96 CD GLU A 16 4.785 3.209 4.099 1.00 50.62 C ATOM 97 OE1 GLU A 16 4.122 2.218 3.905 1.00 49.24 O ATOM 98 OE2 GLU A 16 4.858 3.748 5.178 1.00 49.24 O ATOM 0 H GLU A 16 4.966 4.630 0.261 1.00 49.53 H new ATOM 0 HA GLU A 16 7.470 3.508 0.981 1.00 50.07 H new ATOM 0 HB2 GLU A 16 4.578 2.714 1.441 1.00 49.82 H new ATOM 0 HB3 GLU A 16 5.916 1.786 2.087 1.00 49.82 H new ATOM 0 HG2 GLU A 16 6.695 3.783 3.344 1.00 49.72 H new ATOM 0 HG3 GLU A 16 5.356 4.711 2.698 1.00 49.72 H new ATOM 105 N ALA A 17 5.731 1.972 -1.324 1.00 49.53 N ATOM 106 CA ALA A 17 5.845 0.999 -2.404 1.00 50.07 C ATOM 107 C ALA A 17 7.058 1.289 -3.280 1.00 50.51 C ATOM 108 O ALA A 17 7.757 0.372 -3.711 1.00 49.49 O ATOM 109 CB ALA A 17 4.575 0.984 -3.240 1.00 49.73 C ATOM 0 H ALA A 17 4.889 2.547 -1.363 1.00 49.53 H new ATOM 0 HA ALA A 17 5.982 0.014 -1.958 1.00 50.07 H new ATOM 0 HB1 ALA A 17 4.676 0.253 -4.042 1.00 49.73 H new ATOM 0 HB2 ALA A 17 3.727 0.716 -2.609 1.00 49.73 H new ATOM 0 HB3 ALA A 17 4.410 1.972 -3.669 1.00 49.73 H new ATOM 115 N LYS A 18 7.301 2.569 -3.540 1.00 49.53 N ATOM 116 CA LYS A 18 8.466 2.985 -4.312 1.00 50.07 C ATOM 117 C LYS A 18 9.761 2.613 -3.601 1.00 50.51 C ATOM 118 O LYS A 18 10.719 2.166 -4.231 1.00 49.49 O ATOM 119 CB LYS A 18 8.423 4.491 -4.574 1.00 49.82 C ATOM 120 CG LYS A 18 7.315 4.935 -5.520 1.00 49.82 C ATOM 121 CD LYS A 18 7.253 6.451 -5.628 1.00 49.82 C ATOM 122 CE LYS A 18 6.110 6.897 -6.528 1.00 50.21 C ATOM 123 NZ LYS A 18 5.969 8.378 -6.557 1.00 49.70 N ATOM 0 H LYS A 18 6.706 3.337 -3.227 1.00 49.53 H new ATOM 0 HA LYS A 18 8.439 2.458 -5.266 1.00 50.07 H new ATOM 0 HB2 LYS A 18 8.301 5.009 -3.623 1.00 49.82 H new ATOM 0 HB3 LYS A 18 9.383 4.803 -4.986 1.00 49.82 H new ATOM 0 HG2 LYS A 18 7.483 4.505 -6.507 1.00 49.82 H new ATOM 0 HG3 LYS A 18 6.357 4.554 -5.165 1.00 49.82 H new ATOM 0 HD2 LYS A 18 7.126 6.883 -4.635 1.00 49.82 H new ATOM 0 HD3 LYS A 18 8.197 6.828 -6.022 1.00 49.82 H new ATOM 0 HE2 LYS A 18 6.280 6.529 -7.540 1.00 50.21 H new ATOM 0 HE3 LYS A 18 5.179 6.451 -6.179 1.00 50.21 H new ATOM 0 HZ1 LYS A 18 5.201 8.641 -7.208 1.00 49.70 H new ATOM 0 HZ2 LYS A 18 5.747 8.724 -5.602 1.00 49.70 H new ATOM 0 HZ3 LYS A 18 6.860 8.805 -6.882 1.00 49.70 H new ATOM 137 N GLN A 19 9.783 2.801 -2.287 1.00 49.53 N ATOM 138 CA GLN A 19 10.920 2.390 -1.473 1.00 50.07 C ATOM 139 C GLN A 19 11.092 0.877 -1.491 1.00 50.51 C ATOM 140 O GLN A 19 12.214 0.370 -1.539 1.00 49.49 O ATOM 141 CB GLN A 19 10.749 2.873 -0.029 1.00 49.82 C ATOM 142 CG GLN A 19 10.888 4.375 0.144 1.00 49.82 C ATOM 143 CD GLN A 19 10.593 4.824 1.563 1.00 50.55 C ATOM 144 OE1 GLN A 19 10.191 4.022 2.411 1.00 49.45 O ATOM 145 NE2 GLN A 19 10.786 6.110 1.829 1.00 49.38 N ATOM 0 H GLN A 19 9.025 3.236 -1.762 1.00 49.53 H new ATOM 0 HA GLN A 19 11.814 2.845 -1.900 1.00 50.07 H new ATOM 0 HB2 GLN A 19 9.767 2.566 0.331 1.00 49.82 H new ATOM 0 HB3 GLN A 19 11.489 2.376 0.599 1.00 49.82 H new ATOM 0 HG2 GLN A 19 11.900 4.677 -0.127 1.00 49.82 H new ATOM 0 HG3 GLN A 19 10.210 4.881 -0.543 1.00 49.82 H new ATOM 0 HE21 GLN A 19 11.120 6.738 1.097 1.00 49.38 H new ATOM 0 HE22 GLN A 19 10.601 6.471 2.765 1.00 49.38 H new ATOM 154 N ALA A 20 9.976 0.159 -1.454 1.00 49.53 N ATOM 155 CA ALA A 20 9.997 -1.297 -1.538 1.00 50.07 C ATOM 156 C ALA A 20 10.566 -1.763 -2.871 1.00 50.51 C ATOM 157 O ALA A 20 11.265 -2.774 -2.940 1.00 49.49 O ATOM 158 CB ALA A 20 8.599 -1.860 -1.328 1.00 49.73 C ATOM 0 H ALA A 20 9.043 0.562 -1.366 1.00 49.53 H new ATOM 0 HA ALA A 20 10.647 -1.672 -0.747 1.00 50.07 H new ATOM 0 HB1 ALA A 20 8.631 -2.948 -1.394 1.00 49.73 H new ATOM 0 HB2 ALA A 20 8.233 -1.566 -0.344 1.00 49.73 H new ATOM 0 HB3 ALA A 20 7.931 -1.470 -2.095 1.00 49.73 H new ATOM 164 N PHE A 21 10.264 -1.020 -3.930 1.00 49.53 N ATOM 165 CA PHE A 21 10.851 -1.277 -5.240 1.00 50.07 C ATOM 166 C PHE A 21 12.370 -1.159 -5.194 1.00 50.51 C ATOM 167 O PHE A 21 13.084 -2.040 -5.671 1.00 49.49 O ATOM 168 CB PHE A 21 10.279 -0.313 -6.280 1.00 49.82 C ATOM 169 CG PHE A 21 9.115 -0.871 -7.049 1.00 50.00 C ATOM 170 CD1 PHE A 21 9.302 -1.880 -7.982 1.00 49.88 C ATOM 171 CD2 PHE A 21 7.832 -0.389 -6.840 1.00 49.88 C ATOM 172 CE1 PHE A 21 8.234 -2.394 -8.690 1.00 49.88 C ATOM 173 CE2 PHE A 21 6.761 -0.902 -7.547 1.00 49.88 C ATOM 174 CZ PHE A 21 6.962 -1.904 -8.472 1.00 49.88 C ATOM 0 H PHE A 21 9.615 -0.234 -3.907 1.00 49.53 H new ATOM 0 HA PHE A 21 10.597 -2.298 -5.527 1.00 50.07 H new ATOM 0 HB2 PHE A 21 9.966 0.603 -5.779 1.00 49.82 H new ATOM 0 HB3 PHE A 21 11.068 -0.039 -6.981 1.00 49.82 H new ATOM 0 HD1 PHE A 21 10.295 -2.268 -8.157 1.00 49.88 H new ATOM 0 HD2 PHE A 21 7.668 0.396 -6.117 1.00 49.88 H new ATOM 0 HE1 PHE A 21 8.394 -3.179 -9.414 1.00 49.88 H new ATOM 0 HE2 PHE A 21 5.766 -0.518 -7.375 1.00 49.88 H new ATOM 0 HZ PHE A 21 6.126 -2.305 -9.025 1.00 49.88 H new ATOM 184 N LYS A 22 12.856 -0.065 -4.619 1.00 49.53 N ATOM 185 CA LYS A 22 14.291 0.172 -4.513 1.00 50.07 C ATOM 186 C LYS A 22 14.981 -0.958 -3.760 1.00 50.51 C ATOM 187 O LYS A 22 16.042 -1.431 -4.168 1.00 49.49 O ATOM 188 CB LYS A 22 14.564 1.509 -3.821 1.00 49.82 C ATOM 189 CG LYS A 22 14.156 2.732 -4.632 1.00 49.82 C ATOM 190 CD LYS A 22 14.404 4.017 -3.858 1.00 49.82 C ATOM 191 CE LYS A 22 13.927 5.234 -4.636 1.00 50.21 C ATOM 192 NZ LYS A 22 14.109 6.495 -3.866 1.00 49.70 N ATOM 0 H LYS A 22 12.277 0.673 -4.219 1.00 49.53 H new ATOM 0 HA LYS A 22 14.699 0.207 -5.523 1.00 50.07 H new ATOM 0 HB2 LYS A 22 14.034 1.526 -2.869 1.00 49.82 H new ATOM 0 HB3 LYS A 22 15.628 1.577 -3.595 1.00 49.82 H new ATOM 0 HG2 LYS A 22 14.716 2.754 -5.567 1.00 49.82 H new ATOM 0 HG3 LYS A 22 13.100 2.661 -4.895 1.00 49.82 H new ATOM 0 HD2 LYS A 22 13.888 3.971 -2.899 1.00 49.82 H new ATOM 0 HD3 LYS A 22 15.468 4.115 -3.643 1.00 49.82 H new ATOM 0 HE2 LYS A 22 14.475 5.301 -5.576 1.00 50.21 H new ATOM 0 HE3 LYS A 22 12.874 5.113 -4.889 1.00 50.21 H new ATOM 0 HZ1 LYS A 22 13.771 7.299 -4.432 1.00 49.70 H new ATOM 0 HZ2 LYS A 22 13.566 6.443 -2.981 1.00 49.70 H new ATOM 0 HZ3 LYS A 22 15.117 6.625 -3.646 1.00 49.70 H new ATOM 206 N GLU A 23 14.372 -1.386 -2.659 1.00 49.53 N ATOM 207 CA GLU A 23 14.966 -2.409 -1.805 1.00 50.07 C ATOM 208 C GLU A 23 14.979 -3.765 -2.497 1.00 50.51 C ATOM 209 O GLU A 23 15.993 -4.464 -2.495 1.00 49.49 O ATOM 210 CB GLU A 23 14.210 -2.502 -0.478 1.00 49.82 C ATOM 211 CG GLU A 23 14.399 -1.303 0.440 1.00 49.72 C ATOM 212 CD GLU A 23 13.516 -1.399 1.653 1.00 50.62 C ATOM 213 OE1 GLU A 23 12.743 -2.322 1.730 1.00 49.24 O ATOM 214 OE2 GLU A 23 13.692 -0.613 2.554 1.00 49.24 O ATOM 0 H GLU A 23 13.468 -1.041 -2.337 1.00 49.53 H new ATOM 0 HA GLU A 23 15.998 -2.120 -1.606 1.00 50.07 H new ATOM 0 HB2 GLU A 23 13.147 -2.620 -0.687 1.00 49.82 H new ATOM 0 HB3 GLU A 23 14.533 -3.401 0.048 1.00 49.82 H new ATOM 0 HG2 GLU A 23 15.442 -1.241 0.751 1.00 49.72 H new ATOM 0 HG3 GLU A 23 14.174 -0.386 -0.105 1.00 49.72 H new ATOM 221 N LEU A 24 13.848 -4.134 -3.089 1.00 49.53 N ATOM 222 CA LEU A 24 13.710 -5.431 -3.738 1.00 50.07 C ATOM 223 C LEU A 24 14.591 -5.524 -4.977 1.00 50.51 C ATOM 224 O LEU A 24 15.255 -6.536 -5.204 1.00 49.49 O ATOM 225 CB LEU A 24 12.243 -5.686 -4.106 1.00 49.82 C ATOM 226 CG LEU A 24 11.935 -7.097 -4.622 1.00 49.91 C ATOM 227 CD1 LEU A 24 12.289 -8.130 -3.561 1.00 49.73 C ATOM 228 CD2 LEU A 24 10.463 -7.193 -4.997 1.00 49.73 C ATOM 0 H LEU A 24 13.012 -3.551 -3.132 1.00 49.53 H new ATOM 0 HA LEU A 24 14.037 -6.197 -3.035 1.00 50.07 H new ATOM 0 HB2 LEU A 24 11.626 -5.495 -3.228 1.00 49.82 H new ATOM 0 HB3 LEU A 24 11.945 -4.965 -4.867 1.00 49.82 H new ATOM 0 HG LEU A 24 12.536 -7.298 -5.509 1.00 49.91 H new ATOM 0 HD11 LEU A 24 12.067 -9.129 -3.937 1.00 49.73 H new ATOM 0 HD12 LEU A 24 13.351 -8.059 -3.324 1.00 49.73 H new ATOM 0 HD13 LEU A 24 11.703 -7.942 -2.661 1.00 49.73 H new ATOM 0 HD21 LEU A 24 10.246 -8.196 -5.364 1.00 49.73 H new ATOM 0 HD22 LEU A 24 9.850 -6.986 -4.120 1.00 49.73 H new ATOM 0 HD23 LEU A 24 10.238 -6.465 -5.777 1.00 49.73 H new ATOM 240 N LEU A 25 14.593 -4.463 -5.775 1.00 49.53 N ATOM 241 CA LEU A 25 15.407 -4.415 -6.984 1.00 50.07 C ATOM 242 C LEU A 25 16.893 -4.440 -6.650 1.00 50.51 C ATOM 243 O LEU A 25 17.690 -5.051 -7.362 1.00 49.49 O ATOM 244 CB LEU A 25 15.065 -3.166 -7.805 1.00 49.82 C ATOM 245 CG LEU A 25 13.646 -3.135 -8.388 1.00 49.91 C ATOM 246 CD1 LEU A 25 13.332 -1.745 -8.922 1.00 49.73 C ATOM 247 CD2 LEU A 25 13.525 -4.177 -9.488 1.00 49.73 C ATOM 0 H LEU A 25 14.039 -3.623 -5.607 1.00 49.53 H new ATOM 0 HA LEU A 25 15.182 -5.301 -7.578 1.00 50.07 H new ATOM 0 HB2 LEU A 25 15.200 -2.288 -7.174 1.00 49.82 H new ATOM 0 HB3 LEU A 25 15.779 -3.083 -8.624 1.00 49.82 H new ATOM 0 HG LEU A 25 12.925 -3.369 -7.604 1.00 49.91 H new ATOM 0 HD11 LEU A 25 12.323 -1.733 -9.334 1.00 49.73 H new ATOM 0 HD12 LEU A 25 13.402 -1.019 -8.112 1.00 49.73 H new ATOM 0 HD13 LEU A 25 14.046 -1.486 -9.704 1.00 49.73 H new ATOM 0 HD21 LEU A 25 12.517 -4.154 -9.901 1.00 49.73 H new ATOM 0 HD22 LEU A 25 14.245 -3.959 -10.276 1.00 49.73 H new ATOM 0 HD23 LEU A 25 13.726 -5.166 -9.076 1.00 49.73 H new ATOM 259 N LYS A 26 17.260 -3.772 -5.561 1.00 49.53 N ATOM 260 CA LYS A 26 18.631 -3.804 -5.069 1.00 50.07 C ATOM 261 C LYS A 26 19.015 -5.201 -4.595 1.00 50.51 C ATOM 262 O LYS A 26 20.112 -5.682 -4.877 1.00 49.49 O ATOM 263 CB LYS A 26 18.817 -2.795 -3.935 1.00 49.82 C ATOM 264 CG LYS A 26 20.236 -2.720 -3.385 1.00 49.82 C ATOM 265 CD LYS A 26 20.361 -1.641 -2.320 1.00 49.82 C ATOM 266 CE LYS A 26 21.769 -1.586 -1.749 1.00 50.21 C ATOM 267 NZ LYS A 26 21.900 -0.550 -0.688 1.00 49.70 N ATOM 0 H LYS A 26 16.625 -3.201 -5.002 1.00 49.53 H new ATOM 0 HA LYS A 26 19.287 -3.533 -5.896 1.00 50.07 H new ATOM 0 HB2 LYS A 26 18.526 -1.807 -4.293 1.00 49.82 H new ATOM 0 HB3 LYS A 26 18.138 -3.052 -3.122 1.00 49.82 H new ATOM 0 HG2 LYS A 26 20.516 -3.685 -2.962 1.00 49.82 H new ATOM 0 HG3 LYS A 26 20.933 -2.514 -4.198 1.00 49.82 H new ATOM 0 HD2 LYS A 26 20.102 -0.673 -2.749 1.00 49.82 H new ATOM 0 HD3 LYS A 26 19.649 -1.835 -1.518 1.00 49.82 H new ATOM 0 HE2 LYS A 26 22.032 -2.561 -1.338 1.00 50.21 H new ATOM 0 HE3 LYS A 26 22.477 -1.376 -2.550 1.00 50.21 H new ATOM 0 HZ1 LYS A 26 22.875 -0.546 -0.326 1.00 49.70 H new ATOM 0 HZ2 LYS A 26 21.674 0.384 -1.085 1.00 49.70 H new ATOM 0 HZ3 LYS A 26 21.243 -0.764 0.089 1.00 49.70 H new ATOM 281 N GLU A 27 18.104 -5.846 -3.874 1.00 49.53 N ATOM 282 CA GLU A 27 18.334 -7.200 -3.386 1.00 50.07 C ATOM 283 C GLU A 27 18.625 -8.158 -4.534 1.00 50.51 C ATOM 284 O GLU A 27 19.452 -9.061 -4.407 1.00 49.49 O ATOM 285 CB GLU A 27 17.126 -7.692 -2.584 1.00 49.82 C ATOM 286 CG GLU A 27 17.286 -9.088 -2.000 1.00 49.72 C ATOM 287 CD GLU A 27 16.103 -9.463 -1.151 1.00 50.62 C ATOM 288 OE1 GLU A 27 15.209 -8.663 -1.024 1.00 49.24 O ATOM 289 OE2 GLU A 27 16.041 -10.591 -0.719 1.00 49.24 O ATOM 0 H GLU A 27 17.199 -5.452 -3.615 1.00 49.53 H new ATOM 0 HA GLU A 27 19.207 -7.175 -2.734 1.00 50.07 H new ATOM 0 HB2 GLU A 27 16.935 -6.991 -1.771 1.00 49.82 H new ATOM 0 HB3 GLU A 27 16.247 -7.680 -3.229 1.00 49.82 H new ATOM 0 HG2 GLU A 27 17.401 -9.811 -2.807 1.00 49.72 H new ATOM 0 HG3 GLU A 27 18.195 -9.132 -1.401 1.00 49.72 H new ATOM 296 N LYS A 28 17.940 -7.956 -5.655 1.00 49.53 N ATOM 297 CA LYS A 28 18.125 -8.801 -6.828 1.00 50.07 C ATOM 298 C LYS A 28 19.264 -8.291 -7.701 1.00 50.51 C ATOM 299 O LYS A 28 19.545 -8.849 -8.762 1.00 49.49 O ATOM 300 CB LYS A 28 16.832 -8.877 -7.642 1.00 49.82 C ATOM 301 CG LYS A 28 15.676 -9.560 -6.924 1.00 49.82 C ATOM 302 CD LYS A 28 16.022 -10.995 -6.556 1.00 49.82 C ATOM 303 CE LYS A 28 14.853 -11.690 -5.873 1.00 50.21 C ATOM 304 NZ LYS A 28 15.167 -13.105 -5.537 1.00 49.70 N ATOM 0 H LYS A 28 17.251 -7.213 -5.775 1.00 49.53 H new ATOM 0 HA LYS A 28 18.384 -9.801 -6.481 1.00 50.07 H new ATOM 0 HB2 LYS A 28 16.528 -7.866 -7.914 1.00 49.82 H new ATOM 0 HB3 LYS A 28 17.033 -9.410 -8.571 1.00 49.82 H new ATOM 0 HG2 LYS A 28 15.425 -9.002 -6.022 1.00 49.82 H new ATOM 0 HG3 LYS A 28 14.792 -9.549 -7.562 1.00 49.82 H new ATOM 0 HD2 LYS A 28 16.300 -11.546 -7.455 1.00 49.82 H new ATOM 0 HD3 LYS A 28 16.889 -11.004 -5.895 1.00 49.82 H new ATOM 0 HE2 LYS A 28 14.592 -11.150 -4.963 1.00 50.21 H new ATOM 0 HE3 LYS A 28 13.980 -11.657 -6.525 1.00 50.21 H new ATOM 0 HZ1 LYS A 28 14.345 -13.542 -5.073 1.00 49.70 H new ATOM 0 HZ2 LYS A 28 15.392 -13.627 -6.408 1.00 49.70 H new ATOM 0 HZ3 LYS A 28 15.984 -13.136 -4.894 1.00 49.70 H new ATOM 318 N ARG A 29 19.917 -7.226 -7.249 1.00 49.53 N ATOM 319 CA ARG A 29 21.043 -6.651 -7.976 1.00 50.07 C ATOM 320 C ARG A 29 20.679 -6.379 -9.430 1.00 50.51 C ATOM 321 O ARG A 29 21.407 -6.764 -10.345 1.00 49.49 O ATOM 322 CB ARG A 29 22.295 -7.510 -7.867 1.00 49.82 C ATOM 323 CG ARG A 29 22.850 -7.655 -6.459 1.00 49.82 C ATOM 324 CD ARG A 29 24.166 -8.340 -6.387 1.00 50.20 C ATOM 325 NE ARG A 29 24.590 -8.690 -5.041 1.00 49.30 N ATOM 326 CZ ARG A 29 25.768 -9.271 -4.737 1.00 50.64 C ATOM 327 NH1 ARG A 29 26.623 -9.602 -5.679 1.00 49.20 N ATOM 328 NH2 ARG A 29 26.030 -9.520 -3.466 1.00 49.20 N ATOM 0 H ARG A 29 19.685 -6.743 -6.381 1.00 49.53 H new ATOM 0 HA ARG A 29 21.274 -5.695 -7.505 1.00 50.07 H new ATOM 0 HB2 ARG A 29 22.072 -8.503 -8.258 1.00 49.82 H new ATOM 0 HB3 ARG A 29 23.068 -7.082 -8.505 1.00 49.82 H new ATOM 0 HG2 ARG A 29 22.945 -6.664 -6.015 1.00 49.82 H new ATOM 0 HG3 ARG A 29 22.132 -8.208 -5.854 1.00 49.82 H new ATOM 0 HD2 ARG A 29 24.122 -9.248 -6.988 1.00 50.20 H new ATOM 0 HD3 ARG A 29 24.922 -7.696 -6.837 1.00 50.20 H new ATOM 0 HE ARG A 29 23.952 -8.481 -4.273 1.00 49.30 H new ATOM 0 HH11 ARG A 29 26.400 -9.420 -6.657 1.00 49.20 H new ATOM 0 HH12 ARG A 29 27.510 -10.041 -5.431 1.00 49.20 H new ATOM 0 HH21 ARG A 29 25.350 -9.273 -2.747 1.00 49.20 H new ATOM 0 HH22 ARG A 29 26.913 -9.959 -3.204 1.00 49.20 H new ATOM 342 N VAL A 30 19.547 -5.715 -9.637 1.00 49.53 N ATOM 343 CA VAL A 30 19.089 -5.381 -10.980 1.00 50.07 C ATOM 344 C VAL A 30 20.001 -4.352 -11.633 1.00 50.51 C ATOM 345 O VAL A 30 20.146 -3.234 -11.138 1.00 49.49 O ATOM 346 CB VAL A 30 17.647 -4.841 -10.968 1.00 49.91 C ATOM 347 CG1 VAL A 30 17.229 -4.406 -12.364 1.00 49.73 C ATOM 348 CG2 VAL A 30 16.688 -5.893 -10.429 1.00 49.73 C ATOM 0 H VAL A 30 18.929 -5.397 -8.890 1.00 49.53 H new ATOM 0 HA VAL A 30 19.116 -6.304 -11.559 1.00 50.07 H new ATOM 0 HB VAL A 30 17.611 -3.972 -10.311 1.00 49.91 H new ATOM 0 HG11 VAL A 30 16.207 -4.027 -12.336 1.00 49.73 H new ATOM 0 HG12 VAL A 30 17.898 -3.621 -12.716 1.00 49.73 H new ATOM 0 HG13 VAL A 30 17.282 -5.258 -13.042 1.00 49.73 H new ATOM 0 HG21 VAL A 30 15.674 -5.494 -10.428 1.00 49.73 H new ATOM 0 HG22 VAL A 30 16.728 -6.780 -11.061 1.00 49.73 H new ATOM 0 HG23 VAL A 30 16.974 -6.159 -9.412 1.00 49.73 H new ATOM 358 N PRO A 31 20.614 -4.734 -12.748 1.00 49.71 N ATOM 359 CA PRO A 31 21.579 -3.876 -13.425 1.00 50.02 C ATOM 360 C PRO A 31 20.977 -2.513 -13.743 1.00 50.51 C ATOM 361 O PRO A 31 19.793 -2.406 -14.063 1.00 49.49 O ATOM 362 CB PRO A 31 21.948 -4.656 -14.698 1.00 49.82 C ATOM 363 CG PRO A 31 21.682 -6.097 -14.360 1.00 49.82 C ATOM 364 CD PRO A 31 20.294 -5.935 -13.532 1.00 50.00 C ATOM 0 HA PRO A 31 22.454 -3.661 -12.812 1.00 50.02 H new ATOM 0 HB2 PRO A 31 21.347 -4.332 -15.548 1.00 49.82 H new ATOM 0 HB3 PRO A 31 22.992 -4.500 -14.968 1.00 49.82 H new ATOM 0 HG2 PRO A 31 21.569 -6.720 -15.247 1.00 49.82 H new ATOM 0 HG3 PRO A 31 22.477 -6.539 -13.760 1.00 49.82 H new ATOM 0 HD2 PRO A 31 19.432 -5.792 -14.184 1.00 50.00 H new ATOM 0 HD3 PRO A 31 20.078 -6.799 -12.904 1.00 50.00 H new ATOM 372 N SER A 32 21.800 -1.473 -13.652 1.00 49.53 N ATOM 373 CA SER A 32 21.358 -0.119 -13.962 1.00 50.07 C ATOM 374 C SER A 32 21.048 0.033 -15.446 1.00 50.51 C ATOM 375 O SER A 32 20.358 0.967 -15.852 1.00 49.49 O ATOM 376 CB SER A 32 22.414 0.885 -13.537 1.00 50.05 C ATOM 377 OG SER A 32 23.589 0.763 -14.291 1.00 49.34 O ATOM 0 H SER A 32 22.777 -1.543 -13.366 1.00 49.53 H new ATOM 0 HA SER A 32 20.440 0.074 -13.407 1.00 50.07 H new ATOM 0 HB2 SER A 32 22.018 1.895 -13.644 1.00 50.05 H new ATOM 0 HB3 SER A 32 22.645 0.743 -12.481 1.00 50.05 H new ATOM 0 HG SER A 32 24.243 1.427 -13.988 1.00 49.34 H new ATOM 383 N ASN A 33 21.564 -0.889 -16.250 1.00 49.53 N ATOM 384 CA ASN A 33 21.345 -0.859 -17.691 1.00 50.07 C ATOM 385 C ASN A 33 20.201 -1.781 -18.095 1.00 50.51 C ATOM 386 O ASN A 33 19.893 -1.922 -19.278 1.00 49.49 O ATOM 387 CB ASN A 33 22.606 -1.224 -18.453 1.00 49.82 C ATOM 388 CG ASN A 33 23.694 -0.192 -18.352 1.00 50.55 C ATOM 389 OD1 ASN A 33 23.428 1.005 -18.187 1.00 49.45 O ATOM 390 ND2 ASN A 33 24.912 -0.635 -18.532 1.00 49.38 N ATOM 0 H ASN A 33 22.138 -1.668 -15.928 1.00 49.53 H new ATOM 0 HA ASN A 33 21.073 0.164 -17.952 1.00 50.07 H new ATOM 0 HB2 ASN A 33 22.984 -2.175 -18.078 1.00 49.82 H new ATOM 0 HB3 ASN A 33 22.355 -1.373 -19.503 1.00 49.82 H new ATOM 0 HD21 ASN A 33 25.696 0.018 -18.541 1.00 49.38 H new ATOM 0 HD22 ASN A 33 25.078 -1.633 -18.664 1.00 49.38 H new ATOM 397 N ALA A 34 19.573 -2.405 -17.104 1.00 49.53 N ATOM 398 CA ALA A 34 18.451 -3.301 -17.352 1.00 50.07 C ATOM 399 C ALA A 34 17.179 -2.520 -17.655 1.00 50.51 C ATOM 400 O ALA A 34 16.988 -1.409 -17.160 1.00 49.49 O ATOM 401 CB ALA A 34 18.237 -4.226 -16.162 1.00 49.73 C ATOM 0 H ALA A 34 19.823 -2.306 -16.120 1.00 49.53 H new ATOM 0 HA ALA A 34 18.690 -3.905 -18.227 1.00 50.07 H new ATOM 0 HB1 ALA A 34 17.395 -4.889 -16.363 1.00 49.73 H new ATOM 0 HB2 ALA A 34 19.136 -4.820 -15.997 1.00 49.73 H new ATOM 0 HB3 ALA A 34 18.026 -3.632 -15.273 1.00 49.73 H new ATOM 407 N SER A 35 16.310 -3.107 -18.473 1.00 49.53 N ATOM 408 CA SER A 35 15.033 -2.488 -18.805 1.00 50.07 C ATOM 409 C SER A 35 14.027 -2.659 -17.674 1.00 50.51 C ATOM 410 O SER A 35 14.236 -3.457 -16.760 1.00 49.49 O ATOM 411 CB SER A 35 14.486 -3.077 -20.091 1.00 50.05 C ATOM 412 OG SER A 35 14.081 -4.408 -19.929 1.00 49.34 O ATOM 0 H SER A 35 16.468 -4.011 -18.918 1.00 49.53 H new ATOM 0 HA SER A 35 15.200 -1.420 -18.946 1.00 50.07 H new ATOM 0 HB2 SER A 35 13.640 -2.480 -20.432 1.00 50.05 H new ATOM 0 HB3 SER A 35 15.249 -3.022 -20.868 1.00 50.05 H new ATOM 0 HG SER A 35 13.733 -4.750 -20.779 1.00 49.34 H new ATOM 418 N TRP A 36 12.935 -1.905 -17.741 1.00 49.53 N ATOM 419 CA TRP A 36 11.863 -2.019 -16.759 1.00 50.07 C ATOM 420 C TRP A 36 11.283 -3.429 -16.739 1.00 50.51 C ATOM 421 O TRP A 36 11.097 -4.018 -15.675 1.00 49.49 O ATOM 422 CB TRP A 36 10.759 -1.003 -17.054 1.00 49.82 C ATOM 423 CG TRP A 36 9.615 -1.064 -16.087 1.00 49.97 C ATOM 424 CD1 TRP A 36 9.536 -0.442 -14.878 1.00 50.03 C ATOM 425 CD2 TRP A 36 8.388 -1.786 -16.249 1.00 49.98 C ATOM 426 NE1 TRP A 36 8.337 -0.732 -14.274 1.00 49.39 N ATOM 427 CE2 TRP A 36 7.613 -1.556 -15.099 1.00 50.13 C ATOM 428 CE3 TRP A 36 7.870 -2.606 -17.259 1.00 49.88 C ATOM 429 CZ2 TRP A 36 6.356 -2.112 -14.926 1.00 49.88 C ATOM 430 CZ3 TRP A 36 6.608 -3.164 -17.087 1.00 49.88 C ATOM 431 CH2 TRP A 36 5.873 -2.922 -15.953 1.00 49.88 C ATOM 0 H TRP A 36 12.769 -1.207 -18.466 1.00 49.53 H new ATOM 0 HA TRP A 36 12.286 -1.809 -15.777 1.00 50.07 H new ATOM 0 HB2 TRP A 36 11.185 -0.000 -17.037 1.00 49.82 H new ATOM 0 HB3 TRP A 36 10.381 -1.172 -18.062 1.00 49.82 H new ATOM 0 HD1 TRP A 36 10.305 0.188 -14.455 1.00 50.03 H new ATOM 0 HE1 TRP A 36 8.034 -0.391 -13.362 1.00 49.39 H new ATOM 0 HE3 TRP A 36 8.440 -2.801 -18.155 1.00 49.88 H new ATOM 0 HZ2 TRP A 36 5.775 -1.926 -14.034 1.00 49.88 H new ATOM 0 HZ3 TRP A 36 6.199 -3.799 -17.859 1.00 49.88 H new ATOM 0 HH2 TRP A 36 4.896 -3.371 -15.854 1.00 49.88 H new ATOM 442 N GLU A 37 11.000 -3.963 -17.922 1.00 49.53 N ATOM 443 CA GLU A 37 10.438 -5.302 -18.042 1.00 50.07 C ATOM 444 C GLU A 37 11.381 -6.349 -17.464 1.00 50.51 C ATOM 445 O GLU A 37 10.954 -7.251 -16.740 1.00 49.49 O ATOM 446 CB GLU A 37 10.129 -5.625 -19.506 1.00 49.82 C ATOM 447 CG GLU A 37 8.956 -4.846 -20.087 1.00 49.72 C ATOM 448 CD GLU A 37 8.803 -5.109 -21.560 1.00 50.62 C ATOM 449 OE1 GLU A 37 9.629 -5.797 -22.110 1.00 49.24 O ATOM 450 OE2 GLU A 37 7.804 -4.714 -22.112 1.00 49.24 O ATOM 0 H GLU A 37 11.151 -3.488 -18.812 1.00 49.53 H new ATOM 0 HA GLU A 37 9.510 -5.326 -17.471 1.00 50.07 H new ATOM 0 HB2 GLU A 37 11.017 -5.423 -20.105 1.00 49.82 H new ATOM 0 HB3 GLU A 37 9.921 -6.691 -19.594 1.00 49.82 H new ATOM 0 HG2 GLU A 37 8.039 -5.125 -19.568 1.00 49.72 H new ATOM 0 HG3 GLU A 37 9.106 -3.779 -19.919 1.00 49.72 H new ATOM 457 N GLN A 38 12.664 -6.226 -17.785 1.00 49.53 N ATOM 458 CA GLN A 38 13.678 -7.127 -17.252 1.00 50.07 C ATOM 459 C GLN A 38 13.727 -7.062 -15.731 1.00 50.51 C ATOM 460 O GLN A 38 13.803 -8.091 -15.059 1.00 49.49 O ATOM 461 CB GLN A 38 15.055 -6.785 -17.827 1.00 49.82 C ATOM 462 CG GLN A 38 16.166 -7.721 -17.383 1.00 49.82 C ATOM 463 CD GLN A 38 15.955 -9.142 -17.871 1.00 50.55 C ATOM 464 OE1 GLN A 38 15.642 -9.371 -19.042 1.00 49.45 O ATOM 465 NE2 GLN A 38 16.119 -10.105 -16.972 1.00 49.38 N ATOM 0 H GLN A 38 13.027 -5.509 -18.413 1.00 49.53 H new ATOM 0 HA GLN A 38 13.408 -8.141 -17.547 1.00 50.07 H new ATOM 0 HB2 GLN A 38 14.996 -6.800 -18.915 1.00 49.82 H new ATOM 0 HB3 GLN A 38 15.315 -5.767 -17.536 1.00 49.82 H new ATOM 0 HG2 GLN A 38 17.121 -7.350 -17.756 1.00 49.82 H new ATOM 0 HG3 GLN A 38 16.226 -7.719 -16.295 1.00 49.82 H new ATOM 0 HE21 GLN A 38 16.378 -9.870 -16.014 1.00 49.38 H new ATOM 0 HE22 GLN A 38 15.986 -11.080 -17.239 1.00 49.38 H new ATOM 474 N ALA A 39 13.681 -5.849 -15.194 1.00 49.53 N ATOM 475 CA ALA A 39 13.697 -5.649 -13.748 1.00 50.07 C ATOM 476 C ALA A 39 12.535 -6.375 -13.080 1.00 50.51 C ATOM 477 O ALA A 39 12.706 -7.014 -12.042 1.00 49.49 O ATOM 478 CB ALA A 39 13.659 -4.164 -13.418 1.00 49.73 C ATOM 0 H ALA A 39 13.632 -4.987 -15.738 1.00 49.53 H new ATOM 0 HA ALA A 39 14.624 -6.070 -13.359 1.00 50.07 H new ATOM 0 HB1 ALA A 39 13.671 -4.031 -12.336 1.00 49.73 H new ATOM 0 HB2 ALA A 39 14.528 -3.672 -13.854 1.00 49.73 H new ATOM 0 HB3 ALA A 39 12.750 -3.724 -13.827 1.00 49.73 H new ATOM 484 N MET A 40 11.355 -6.273 -13.682 1.00 49.53 N ATOM 485 CA MET A 40 10.163 -6.918 -13.145 1.00 50.07 C ATOM 486 C MET A 40 10.299 -8.434 -13.169 1.00 50.51 C ATOM 487 O MET A 40 9.884 -9.120 -12.235 1.00 49.49 O ATOM 488 CB MET A 40 8.929 -6.485 -13.934 1.00 49.82 C ATOM 489 CG MET A 40 8.580 -5.010 -13.798 1.00 49.86 C ATOM 490 SD MET A 40 8.407 -4.491 -12.080 1.00 49.91 S ATOM 491 CE MET A 40 9.990 -3.703 -11.803 1.00 49.78 C ATOM 0 H MET A 40 11.199 -5.749 -14.543 1.00 49.53 H new ATOM 0 HA MET A 40 10.049 -6.607 -12.107 1.00 50.07 H new ATOM 0 HB2 MET A 40 9.089 -6.712 -14.988 1.00 49.82 H new ATOM 0 HB3 MET A 40 8.076 -7.079 -13.606 1.00 49.82 H new ATOM 0 HG2 MET A 40 9.355 -4.412 -14.278 1.00 49.86 H new ATOM 0 HG3 MET A 40 7.649 -4.811 -14.329 1.00 49.86 H new ATOM 0 HE1 MET A 40 9.933 -3.076 -10.913 1.00 49.78 H new ATOM 0 HE2 MET A 40 10.756 -4.465 -11.662 1.00 49.78 H new ATOM 0 HE3 MET A 40 10.246 -3.087 -12.665 1.00 49.78 H new ATOM 501 N LYS A 41 10.886 -8.954 -14.243 1.00 49.53 N ATOM 502 CA LYS A 41 11.077 -10.392 -14.390 1.00 50.07 C ATOM 503 C LYS A 41 12.057 -10.927 -13.355 1.00 50.51 C ATOM 504 O LYS A 41 12.079 -12.123 -13.067 1.00 49.49 O ATOM 505 CB LYS A 41 11.568 -10.724 -15.801 1.00 49.82 C ATOM 506 CG LYS A 41 10.523 -10.535 -16.892 1.00 49.82 C ATOM 507 CD LYS A 41 11.102 -10.823 -18.269 1.00 49.82 C ATOM 508 CE LYS A 41 10.051 -10.661 -19.357 1.00 50.21 C ATOM 509 NZ LYS A 41 10.598 -10.962 -20.709 1.00 49.70 N ATOM 0 H LYS A 41 11.237 -8.400 -15.024 1.00 49.53 H new ATOM 0 HA LYS A 41 10.114 -10.875 -14.227 1.00 50.07 H new ATOM 0 HB2 LYS A 41 12.431 -10.098 -16.029 1.00 49.82 H new ATOM 0 HB3 LYS A 41 11.911 -11.758 -15.819 1.00 49.82 H new ATOM 0 HG2 LYS A 41 9.676 -11.196 -16.706 1.00 49.82 H new ATOM 0 HG3 LYS A 41 10.143 -9.514 -16.861 1.00 49.82 H new ATOM 0 HD2 LYS A 41 11.936 -10.149 -18.463 1.00 49.82 H new ATOM 0 HD3 LYS A 41 11.500 -11.837 -18.293 1.00 49.82 H new ATOM 0 HE2 LYS A 41 9.210 -11.323 -19.150 1.00 50.21 H new ATOM 0 HE3 LYS A 41 9.666 -9.641 -19.340 1.00 50.21 H new ATOM 0 HZ1 LYS A 41 9.850 -10.840 -21.421 1.00 49.70 H new ATOM 0 HZ2 LYS A 41 11.384 -10.314 -20.918 1.00 49.70 H new ATOM 0 HZ3 LYS A 41 10.942 -11.943 -20.734 1.00 49.70 H new ATOM 523 N MET A 42 12.867 -10.034 -12.797 1.00 49.53 N ATOM 524 CA MET A 42 13.861 -10.416 -11.802 1.00 50.07 C ATOM 525 C MET A 42 13.261 -10.435 -10.401 1.00 50.51 C ATOM 526 O MET A 42 13.857 -10.969 -9.467 1.00 49.49 O ATOM 527 CB MET A 42 15.053 -9.463 -11.852 1.00 49.82 C ATOM 528 CG MET A 42 15.924 -9.610 -13.092 1.00 49.86 C ATOM 529 SD MET A 42 17.238 -8.375 -13.169 1.00 49.91 S ATOM 530 CE MET A 42 18.343 -8.979 -11.897 1.00 49.78 C ATOM 0 H MET A 42 12.854 -9.038 -13.018 1.00 49.53 H new ATOM 0 HA MET A 42 14.202 -11.424 -12.037 1.00 50.07 H new ATOM 0 HB2 MET A 42 14.686 -8.438 -11.800 1.00 49.82 H new ATOM 0 HB3 MET A 42 15.670 -9.625 -10.968 1.00 49.82 H new ATOM 0 HG2 MET A 42 16.366 -10.606 -13.105 1.00 49.86 H new ATOM 0 HG3 MET A 42 15.300 -9.527 -13.982 1.00 49.86 H new ATOM 0 HE1 MET A 42 19.374 -8.901 -12.243 1.00 49.78 H new ATOM 0 HE2 MET A 42 18.218 -8.383 -10.993 1.00 49.78 H new ATOM 0 HE3 MET A 42 18.111 -10.022 -11.679 1.00 49.78 H new ATOM 540 N ILE A 43 12.075 -9.849 -10.263 1.00 49.53 N ATOM 541 CA ILE A 43 11.399 -9.784 -8.974 1.00 50.07 C ATOM 542 C ILE A 43 10.018 -10.423 -9.044 1.00 50.51 C ATOM 543 O ILE A 43 9.318 -10.525 -8.036 1.00 49.49 O ATOM 544 CB ILE A 43 11.257 -8.332 -8.482 1.00 49.91 C ATOM 545 CG1 ILE A 43 10.409 -7.517 -9.462 1.00 49.82 C ATOM 546 CG2 ILE A 43 12.627 -7.697 -8.303 1.00 49.73 C ATOM 547 CD1 ILE A 43 9.976 -6.173 -8.921 1.00 49.73 C ATOM 0 H ILE A 43 11.563 -9.412 -11.030 1.00 49.53 H new ATOM 0 HA ILE A 43 12.017 -10.338 -8.267 1.00 50.07 H new ATOM 0 HB ILE A 43 10.753 -8.340 -7.516 1.00 49.91 H new ATOM 0 HG12 ILE A 43 10.977 -7.363 -10.379 1.00 49.82 H new ATOM 0 HG13 ILE A 43 9.523 -8.094 -9.729 1.00 49.82 H new ATOM 0 HG21 ILE A 43 12.510 -6.671 -7.955 1.00 49.73 H new ATOM 0 HG22 ILE A 43 13.199 -8.266 -7.570 1.00 49.73 H new ATOM 0 HG23 ILE A 43 13.156 -7.699 -9.256 1.00 49.73 H new ATOM 0 HD11 ILE A 43 9.380 -5.654 -9.671 1.00 49.73 H new ATOM 0 HD12 ILE A 43 9.380 -6.318 -8.020 1.00 49.73 H new ATOM 0 HD13 ILE A 43 10.856 -5.577 -8.681 1.00 49.73 H new ATOM 559 N ILE A 44 9.630 -10.853 -10.239 1.00 49.53 N ATOM 560 CA ILE A 44 8.323 -11.464 -10.448 1.00 50.07 C ATOM 561 C ILE A 44 8.190 -12.761 -9.661 1.00 50.51 C ATOM 562 O ILE A 44 7.082 -13.230 -9.400 1.00 49.49 O ATOM 563 CB ILE A 44 8.063 -11.749 -11.938 1.00 49.91 C ATOM 564 CG1 ILE A 44 6.571 -11.988 -12.184 1.00 49.82 C ATOM 565 CG2 ILE A 44 8.879 -12.947 -12.400 1.00 49.73 C ATOM 566 CD1 ILE A 44 6.176 -11.937 -13.643 1.00 49.73 C ATOM 0 H ILE A 44 10.204 -10.789 -11.080 1.00 49.53 H new ATOM 0 HA ILE A 44 7.582 -10.749 -10.091 1.00 50.07 H new ATOM 0 HB ILE A 44 8.372 -10.878 -12.516 1.00 49.91 H new ATOM 0 HG12 ILE A 44 6.297 -12.961 -11.777 1.00 49.82 H new ATOM 0 HG13 ILE A 44 5.998 -11.240 -11.636 1.00 49.82 H new ATOM 0 HG21 ILE A 44 8.684 -13.135 -13.456 1.00 49.73 H new ATOM 0 HG22 ILE A 44 9.940 -12.741 -12.258 1.00 49.73 H new ATOM 0 HG23 ILE A 44 8.599 -13.825 -11.817 1.00 49.73 H new ATOM 0 HD11 ILE A 44 5.105 -12.115 -13.736 1.00 49.73 H new ATOM 0 HD12 ILE A 44 6.417 -10.956 -14.051 1.00 49.73 H new ATOM 0 HD13 ILE A 44 6.721 -12.703 -14.194 1.00 49.73 H new ATOM 578 N ASN A 45 9.326 -13.339 -9.284 1.00 49.53 N ATOM 579 CA ASN A 45 9.339 -14.577 -8.514 1.00 50.07 C ATOM 580 C ASN A 45 9.015 -14.317 -7.049 1.00 50.51 C ATOM 581 O ASN A 45 8.688 -15.240 -6.303 1.00 49.49 O ATOM 582 CB ASN A 45 10.669 -15.294 -8.640 1.00 49.82 C ATOM 583 CG ASN A 45 10.903 -15.907 -9.993 1.00 50.55 C ATOM 584 OD1 ASN A 45 9.959 -16.182 -10.743 1.00 49.45 O ATOM 585 ND2 ASN A 45 12.148 -16.195 -10.276 1.00 49.38 N ATOM 0 H ASN A 45 10.251 -12.968 -9.500 1.00 49.53 H new ATOM 0 HA ASN A 45 8.565 -15.223 -8.928 1.00 50.07 H new ATOM 0 HB2 ASN A 45 11.473 -14.589 -8.427 1.00 49.82 H new ATOM 0 HB3 ASN A 45 10.722 -16.076 -7.883 1.00 49.82 H new ATOM 0 HD21 ASN A 45 12.376 -16.668 -11.150 1.00 49.38 H new ATOM 0 HD22 ASN A 45 12.890 -15.946 -9.622 1.00 49.38 H new ATOM 592 N ASP A 46 9.109 -13.056 -6.642 1.00 49.53 N ATOM 593 CA ASP A 46 8.837 -12.674 -5.261 1.00 50.07 C ATOM 594 C ASP A 46 7.354 -12.401 -5.047 1.00 50.51 C ATOM 595 O ASP A 46 6.696 -11.802 -5.898 1.00 49.49 O ATOM 596 CB ASP A 46 9.660 -11.443 -4.872 1.00 49.72 C ATOM 597 CG ASP A 46 11.166 -11.671 -4.862 1.00 50.62 C ATOM 598 OD1 ASP A 46 11.596 -12.643 -4.290 1.00 49.24 O ATOM 599 OD2 ASP A 46 11.858 -10.964 -5.556 1.00 49.24 O ATOM 0 H ASP A 46 9.372 -12.280 -7.250 1.00 49.53 H new ATOM 0 HA ASP A 46 9.126 -13.509 -4.622 1.00 50.07 H new ATOM 0 HB2 ASP A 46 9.432 -10.634 -5.566 1.00 49.72 H new ATOM 0 HB3 ASP A 46 9.348 -11.111 -3.882 1.00 49.72 H new ATOM 604 N PRO A 47 6.834 -12.843 -3.908 1.00 49.71 N ATOM 605 CA PRO A 47 5.435 -12.617 -3.566 1.00 50.02 C ATOM 606 C PRO A 47 5.125 -11.128 -3.470 1.00 50.51 C ATOM 607 O PRO A 47 3.971 -10.716 -3.589 1.00 49.49 O ATOM 608 CB PRO A 47 5.257 -13.333 -2.216 1.00 49.82 C ATOM 609 CG PRO A 47 6.639 -13.393 -1.625 1.00 49.82 C ATOM 610 CD PRO A 47 7.555 -13.564 -2.851 1.00 50.00 C ATOM 0 HA PRO A 47 4.749 -12.999 -4.322 1.00 50.02 H new ATOM 0 HB2 PRO A 47 4.573 -12.787 -1.566 1.00 49.82 H new ATOM 0 HB3 PRO A 47 4.841 -14.331 -2.350 1.00 49.82 H new ATOM 0 HG2 PRO A 47 6.877 -12.485 -1.071 1.00 49.82 H new ATOM 0 HG3 PRO A 47 6.741 -14.226 -0.930 1.00 49.82 H new ATOM 0 HD2 PRO A 47 8.544 -13.141 -2.677 1.00 50.00 H new ATOM 0 HD3 PRO A 47 7.697 -14.614 -3.104 1.00 50.00 H new ATOM 618 N ARG A 48 6.161 -10.326 -3.254 1.00 49.53 N ATOM 619 CA ARG A 48 6.003 -8.881 -3.147 1.00 50.07 C ATOM 620 C ARG A 48 5.519 -8.281 -4.462 1.00 50.51 C ATOM 621 O ARG A 48 4.816 -7.271 -4.473 1.00 49.49 O ATOM 622 CB ARG A 48 7.271 -8.198 -2.657 1.00 49.82 C ATOM 623 CG ARG A 48 7.637 -8.488 -1.211 1.00 49.82 C ATOM 624 CD ARG A 48 8.934 -7.909 -0.777 1.00 50.20 C ATOM 625 NE ARG A 48 9.292 -8.196 0.601 1.00 49.30 N ATOM 626 CZ ARG A 48 10.478 -7.891 1.163 1.00 50.64 C ATOM 627 NH1 ARG A 48 11.435 -7.325 0.461 1.00 49.20 N ATOM 628 NH2 ARG A 48 10.663 -8.197 2.436 1.00 49.20 N ATOM 0 H ARG A 48 7.121 -10.653 -3.149 1.00 49.53 H new ATOM 0 HA ARG A 48 5.237 -8.698 -2.394 1.00 50.07 H new ATOM 0 HB2 ARG A 48 8.100 -8.504 -3.295 1.00 49.82 H new ATOM 0 HB3 ARG A 48 7.156 -7.121 -2.778 1.00 49.82 H new ATOM 0 HG2 ARG A 48 6.847 -8.104 -0.565 1.00 49.82 H new ATOM 0 HG3 ARG A 48 7.669 -9.568 -1.067 1.00 49.82 H new ATOM 0 HD2 ARG A 48 9.722 -8.286 -1.429 1.00 50.20 H new ATOM 0 HD3 ARG A 48 8.898 -6.828 -0.912 1.00 50.20 H new ATOM 0 HE ARG A 48 8.597 -8.661 1.184 1.00 49.30 H new ATOM 0 HH11 ARG A 48 11.285 -7.110 -0.525 1.00 49.20 H new ATOM 0 HH12 ARG A 48 12.327 -7.101 0.902 1.00 49.20 H new ATOM 0 HH21 ARG A 48 9.918 -8.651 2.965 1.00 49.20 H new ATOM 0 HH22 ARG A 48 11.550 -7.979 2.889 1.00 49.20 H new ATOM 642 N TYR A 49 5.899 -8.910 -5.568 1.00 49.53 N ATOM 643 CA TYR A 49 5.559 -8.405 -6.893 1.00 50.07 C ATOM 644 C TYR A 49 4.054 -8.232 -7.046 1.00 50.51 C ATOM 645 O TYR A 49 3.588 -7.271 -7.658 1.00 49.49 O ATOM 646 CB TYR A 49 6.093 -9.343 -7.978 1.00 49.82 C ATOM 647 CG TYR A 49 5.783 -8.890 -9.387 1.00 50.00 C ATOM 648 CD1 TYR A 49 6.596 -7.971 -10.035 1.00 49.88 C ATOM 649 CD2 TYR A 49 4.680 -9.385 -10.067 1.00 49.88 C ATOM 650 CE1 TYR A 49 6.318 -7.553 -11.322 1.00 49.88 C ATOM 651 CE2 TYR A 49 4.392 -8.973 -11.354 1.00 49.88 C ATOM 652 CZ TYR A 49 5.213 -8.058 -11.978 1.00 50.11 C ATOM 653 OH TYR A 49 4.932 -7.646 -13.261 1.00 49.46 O ATOM 0 H TYR A 49 6.444 -9.772 -5.573 1.00 49.53 H new ATOM 0 HA TYR A 49 6.028 -7.428 -7.008 1.00 50.07 H new ATOM 0 HB2 TYR A 49 7.173 -9.435 -7.866 1.00 49.82 H new ATOM 0 HB3 TYR A 49 5.671 -10.336 -7.825 1.00 49.82 H new ATOM 0 HD1 TYR A 49 7.461 -7.576 -9.524 1.00 49.88 H new ATOM 0 HD2 TYR A 49 4.036 -10.104 -9.583 1.00 49.88 H new ATOM 0 HE1 TYR A 49 6.961 -6.836 -11.812 1.00 49.88 H new ATOM 0 HE2 TYR A 49 3.528 -9.366 -11.869 1.00 49.88 H new ATOM 0 HH TYR A 49 4.122 -8.097 -13.579 1.00 49.46 H new ATOM 663 N SER A 50 3.295 -9.170 -6.487 1.00 49.53 N ATOM 664 CA SER A 50 1.847 -9.179 -6.647 1.00 50.07 C ATOM 665 C SER A 50 1.221 -7.909 -6.085 1.00 50.51 C ATOM 666 O SER A 50 0.136 -7.502 -6.502 1.00 49.49 O ATOM 667 CB SER A 50 1.255 -10.402 -5.975 1.00 50.05 C ATOM 668 OG SER A 50 1.361 -10.338 -4.578 1.00 49.34 O ATOM 0 H SER A 50 3.661 -9.934 -5.919 1.00 49.53 H new ATOM 0 HA SER A 50 1.624 -9.217 -7.713 1.00 50.07 H new ATOM 0 HB2 SER A 50 0.206 -10.497 -6.255 1.00 50.05 H new ATOM 0 HB3 SER A 50 1.763 -11.296 -6.336 1.00 50.05 H new ATOM 0 HG SER A 50 2.294 -10.480 -4.314 1.00 49.34 H new ATOM 674 N ALA A 51 1.910 -7.286 -5.135 1.00 49.53 N ATOM 675 CA ALA A 51 1.431 -6.052 -4.523 1.00 50.07 C ATOM 676 C ALA A 51 2.082 -4.833 -5.162 1.00 50.51 C ATOM 677 O ALA A 51 1.432 -3.808 -5.369 1.00 49.49 O ATOM 678 CB ALA A 51 1.687 -6.071 -3.023 1.00 49.73 C ATOM 0 H ALA A 51 2.804 -7.616 -4.771 1.00 49.53 H new ATOM 0 HA ALA A 51 0.356 -5.985 -4.693 1.00 50.07 H new ATOM 0 HB1 ALA A 51 1.324 -5.143 -2.580 1.00 49.73 H new ATOM 0 HB2 ALA A 51 1.164 -6.916 -2.575 1.00 49.73 H new ATOM 0 HB3 ALA A 51 2.757 -6.167 -2.838 1.00 49.73 H new ATOM 684 N LEU A 52 3.369 -4.949 -5.469 1.00 49.53 N ATOM 685 CA LEU A 52 4.122 -3.840 -6.044 1.00 50.07 C ATOM 686 C LEU A 52 3.614 -3.494 -7.437 1.00 50.51 C ATOM 687 O LEU A 52 3.639 -2.332 -7.847 1.00 49.49 O ATOM 688 CB LEU A 52 5.616 -4.183 -6.091 1.00 49.82 C ATOM 689 CG LEU A 52 6.321 -4.221 -4.730 1.00 49.91 C ATOM 690 CD1 LEU A 52 7.754 -4.710 -4.896 1.00 49.73 C ATOM 691 CD2 LEU A 52 6.293 -2.834 -4.104 1.00 49.73 C ATOM 0 H LEU A 52 3.913 -5.800 -5.329 1.00 49.53 H new ATOM 0 HA LEU A 52 3.979 -2.967 -5.408 1.00 50.07 H new ATOM 0 HB2 LEU A 52 5.734 -5.155 -6.571 1.00 49.82 H new ATOM 0 HB3 LEU A 52 6.120 -3.452 -6.723 1.00 49.82 H new ATOM 0 HG LEU A 52 5.800 -4.914 -4.070 1.00 49.91 H new ATOM 0 HD11 LEU A 52 8.246 -4.733 -3.923 1.00 49.73 H new ATOM 0 HD12 LEU A 52 7.749 -5.712 -5.324 1.00 49.73 H new ATOM 0 HD13 LEU A 52 8.294 -4.035 -5.560 1.00 49.73 H new ATOM 0 HD21 LEU A 52 6.794 -2.861 -3.136 1.00 49.73 H new ATOM 0 HD22 LEU A 52 6.806 -2.129 -4.758 1.00 49.73 H new ATOM 0 HD23 LEU A 52 5.259 -2.517 -3.968 1.00 49.73 H new ATOM 703 N ALA A 53 3.153 -4.506 -8.163 1.00 49.53 N ATOM 704 CA ALA A 53 2.658 -4.313 -9.521 1.00 50.07 C ATOM 705 C ALA A 53 1.388 -3.470 -9.530 1.00 50.51 C ATOM 706 O ALA A 53 0.961 -2.985 -10.577 1.00 49.49 O ATOM 707 CB ALA A 53 2.410 -5.657 -10.191 1.00 49.73 C ATOM 0 H ALA A 53 3.112 -5.470 -7.833 1.00 49.53 H new ATOM 0 HA ALA A 53 3.421 -3.776 -10.085 1.00 50.07 H new ATOM 0 HB1 ALA A 53 2.041 -5.496 -11.204 1.00 49.73 H new ATOM 0 HB2 ALA A 53 3.342 -6.222 -10.230 1.00 49.73 H new ATOM 0 HB3 ALA A 53 1.670 -6.217 -9.620 1.00 49.73 H new ATOM 713 N LYS A 54 0.789 -3.301 -8.356 1.00 49.53 N ATOM 714 CA LYS A 54 -0.440 -2.527 -8.228 1.00 50.07 C ATOM 715 C LYS A 54 -0.156 -1.031 -8.261 1.00 50.51 C ATOM 716 O LYS A 54 -1.057 -0.223 -8.490 1.00 49.49 O ATOM 717 CB LYS A 54 -1.172 -2.895 -6.937 1.00 49.82 C ATOM 718 CG LYS A 54 -1.657 -4.338 -6.877 1.00 49.82 C ATOM 719 CD LYS A 54 -2.372 -4.627 -5.566 1.00 49.82 C ATOM 720 CE LYS A 54 -2.887 -6.058 -5.520 1.00 50.21 C ATOM 721 NZ LYS A 54 -3.655 -6.334 -4.275 1.00 49.70 N ATOM 0 H LYS A 54 1.135 -3.690 -7.479 1.00 49.53 H new ATOM 0 HA LYS A 54 -1.077 -2.771 -9.078 1.00 50.07 H new ATOM 0 HB2 LYS A 54 -0.507 -2.713 -6.092 1.00 49.82 H new ATOM 0 HB3 LYS A 54 -2.029 -2.232 -6.818 1.00 49.82 H new ATOM 0 HG2 LYS A 54 -2.331 -4.532 -7.712 1.00 49.82 H new ATOM 0 HG3 LYS A 54 -0.809 -5.014 -6.988 1.00 49.82 H new ATOM 0 HD2 LYS A 54 -1.690 -4.457 -4.733 1.00 49.82 H new ATOM 0 HD3 LYS A 54 -3.205 -3.935 -5.443 1.00 49.82 H new ATOM 0 HE2 LYS A 54 -3.522 -6.243 -6.386 1.00 50.21 H new ATOM 0 HE3 LYS A 54 -2.046 -6.748 -5.588 1.00 50.21 H new ATOM 0 HZ1 LYS A 54 -3.988 -7.319 -4.284 1.00 49.70 H new ATOM 0 HZ2 LYS A 54 -3.042 -6.183 -3.448 1.00 49.70 H new ATOM 0 HZ3 LYS A 54 -4.472 -5.693 -4.222 1.00 49.70 H new ATOM 735 N LEU A 55 1.101 -0.668 -8.031 1.00 49.53 N ATOM 736 CA LEU A 55 1.509 0.732 -8.044 1.00 50.07 C ATOM 737 C LEU A 55 1.444 1.311 -9.452 1.00 50.51 C ATOM 738 O LEU A 55 2.173 0.880 -10.345 1.00 49.49 O ATOM 739 CB LEU A 55 2.924 0.878 -7.472 1.00 49.82 C ATOM 740 CG LEU A 55 3.450 2.316 -7.389 1.00 49.91 C ATOM 741 CD1 LEU A 55 2.576 3.140 -6.453 1.00 49.73 C ATOM 742 CD2 LEU A 55 4.894 2.303 -6.907 1.00 49.73 C ATOM 0 H LEU A 55 1.856 -1.325 -7.833 1.00 49.53 H new ATOM 0 HA LEU A 55 0.815 1.292 -7.418 1.00 50.07 H new ATOM 0 HB2 LEU A 55 2.941 0.444 -6.472 1.00 49.82 H new ATOM 0 HB3 LEU A 55 3.609 0.293 -8.086 1.00 49.82 H new ATOM 0 HG LEU A 55 3.414 2.773 -8.378 1.00 49.91 H new ATOM 0 HD11 LEU A 55 2.958 4.159 -6.401 1.00 49.73 H new ATOM 0 HD12 LEU A 55 1.553 3.155 -6.829 1.00 49.73 H new ATOM 0 HD13 LEU A 55 2.590 2.696 -5.457 1.00 49.73 H new ATOM 0 HD21 LEU A 55 5.267 3.325 -6.848 1.00 49.73 H new ATOM 0 HD22 LEU A 55 4.944 1.841 -5.921 1.00 49.73 H new ATOM 0 HD23 LEU A 55 5.506 1.733 -7.606 1.00 49.73 H new ATOM 754 N SER A 56 0.567 2.291 -9.643 1.00 49.53 N ATOM 755 CA SER A 56 0.365 2.892 -10.956 1.00 50.07 C ATOM 756 C SER A 56 1.617 3.620 -11.427 1.00 50.51 C ATOM 757 O SER A 56 1.796 3.859 -12.622 1.00 49.49 O ATOM 758 CB SER A 56 -0.816 3.842 -10.919 1.00 50.05 C ATOM 759 OG SER A 56 -0.570 4.957 -10.107 1.00 49.34 O ATOM 0 H SER A 56 -0.015 2.686 -8.905 1.00 49.53 H new ATOM 0 HA SER A 56 0.155 2.093 -11.667 1.00 50.07 H new ATOM 0 HB2 SER A 56 -1.045 4.175 -11.931 1.00 50.05 H new ATOM 0 HB3 SER A 56 -1.695 3.313 -10.551 1.00 50.05 H new ATOM 0 HG SER A 56 -1.354 5.545 -10.112 1.00 49.34 H new ATOM 765 N GLU A 57 2.482 3.971 -10.482 1.00 49.53 N ATOM 766 CA GLU A 57 3.728 4.659 -10.800 1.00 50.07 C ATOM 767 C GLU A 57 4.931 3.751 -10.582 1.00 50.51 C ATOM 768 O GLU A 57 6.038 4.221 -10.324 1.00 49.49 O ATOM 769 CB GLU A 57 3.869 5.929 -9.957 1.00 49.82 C ATOM 770 CG GLU A 57 2.821 6.994 -10.245 1.00 49.72 C ATOM 771 CD GLU A 57 3.052 8.227 -9.416 1.00 50.62 C ATOM 772 OE1 GLU A 57 4.014 8.257 -8.687 1.00 49.24 O ATOM 773 OE2 GLU A 57 2.333 9.182 -9.594 1.00 49.24 O ATOM 0 H GLU A 57 2.343 3.790 -9.488 1.00 49.53 H new ATOM 0 HA GLU A 57 3.696 4.935 -11.854 1.00 50.07 H new ATOM 0 HB2 GLU A 57 3.814 5.658 -8.903 1.00 49.82 H new ATOM 0 HB3 GLU A 57 4.858 6.355 -10.126 1.00 49.82 H new ATOM 0 HG2 GLU A 57 2.846 7.255 -11.303 1.00 49.72 H new ATOM 0 HG3 GLU A 57 1.828 6.595 -10.038 1.00 49.72 H new ATOM 780 N LYS A 58 4.706 2.445 -10.689 1.00 49.53 N ATOM 781 CA LYS A 58 5.774 1.467 -10.518 1.00 50.07 C ATOM 782 C LYS A 58 6.899 1.701 -11.518 1.00 50.51 C ATOM 783 O LYS A 58 8.050 1.343 -11.266 1.00 49.49 O ATOM 784 CB LYS A 58 5.228 0.046 -10.663 1.00 49.82 C ATOM 785 CG LYS A 58 4.532 -0.228 -11.990 1.00 49.82 C ATOM 786 CD LYS A 58 3.865 -1.595 -11.994 1.00 49.82 C ATOM 787 CE LYS A 58 2.998 -1.786 -13.229 1.00 50.21 C ATOM 788 NZ LYS A 58 2.236 -3.064 -13.182 1.00 49.70 N ATOM 0 H LYS A 58 3.793 2.040 -10.894 1.00 49.53 H new ATOM 0 HA LYS A 58 6.180 1.588 -9.514 1.00 50.07 H new ATOM 0 HB2 LYS A 58 6.050 -0.660 -10.545 1.00 49.82 H new ATOM 0 HB3 LYS A 58 4.525 -0.145 -9.852 1.00 49.82 H new ATOM 0 HG2 LYS A 58 3.785 0.544 -12.177 1.00 49.82 H new ATOM 0 HG3 LYS A 58 5.258 -0.173 -12.802 1.00 49.82 H new ATOM 0 HD2 LYS A 58 4.627 -2.373 -11.959 1.00 49.82 H new ATOM 0 HD3 LYS A 58 3.254 -1.706 -11.098 1.00 49.82 H new ATOM 0 HE2 LYS A 58 2.302 -0.952 -13.316 1.00 50.21 H new ATOM 0 HE3 LYS A 58 3.627 -1.771 -14.119 1.00 50.21 H new ATOM 0 HZ1 LYS A 58 1.547 -3.086 -13.961 1.00 49.70 H new ATOM 0 HZ2 LYS A 58 2.894 -3.864 -13.278 1.00 49.70 H new ATOM 0 HZ3 LYS A 58 1.734 -3.136 -12.274 1.00 49.70 H new ATOM 802 N LYS A 59 6.560 2.303 -12.652 1.00 49.53 N ATOM 803 CA LYS A 59 7.555 2.663 -13.656 1.00 50.07 C ATOM 804 C LYS A 59 8.428 3.816 -13.179 1.00 50.51 C ATOM 805 O LYS A 59 9.613 3.885 -13.503 1.00 49.49 O ATOM 806 CB LYS A 59 6.876 3.028 -14.976 1.00 49.82 C ATOM 807 CG LYS A 59 6.253 1.849 -15.712 1.00 49.82 C ATOM 808 CD LYS A 59 5.622 2.286 -17.025 1.00 49.82 C ATOM 809 CE LYS A 59 5.006 1.107 -17.764 1.00 50.21 C ATOM 810 NZ LYS A 59 4.361 1.525 -19.039 1.00 49.70 N ATOM 0 H LYS A 59 5.603 2.553 -12.900 1.00 49.53 H new ATOM 0 HA LYS A 59 8.195 1.796 -13.816 1.00 50.07 H new ATOM 0 HB2 LYS A 59 6.100 3.768 -14.779 1.00 49.82 H new ATOM 0 HB3 LYS A 59 7.609 3.501 -15.629 1.00 49.82 H new ATOM 0 HG2 LYS A 59 7.016 1.095 -15.906 1.00 49.82 H new ATOM 0 HG3 LYS A 59 5.497 1.382 -15.081 1.00 49.82 H new ATOM 0 HD2 LYS A 59 4.855 3.036 -16.830 1.00 49.82 H new ATOM 0 HD3 LYS A 59 6.377 2.758 -17.654 1.00 49.82 H new ATOM 0 HE2 LYS A 59 5.778 0.367 -17.974 1.00 50.21 H new ATOM 0 HE3 LYS A 59 4.267 0.624 -17.125 1.00 50.21 H new ATOM 0 HZ1 LYS A 59 3.954 0.693 -19.511 1.00 49.70 H new ATOM 0 HZ2 LYS A 59 3.607 2.212 -18.838 1.00 49.70 H new ATOM 0 HZ3 LYS A 59 5.071 1.963 -19.660 1.00 49.70 H new ATOM 824 N GLN A 60 7.834 4.720 -12.407 1.00 49.53 N ATOM 825 CA GLN A 60 8.578 5.823 -11.809 1.00 50.07 C ATOM 826 C GLN A 60 9.405 5.348 -10.620 1.00 50.51 C ATOM 827 O GLN A 60 10.464 5.905 -10.327 1.00 49.49 O ATOM 828 CB GLN A 60 7.623 6.933 -11.362 1.00 49.82 C ATOM 829 CG GLN A 60 6.842 7.576 -12.496 1.00 49.82 C ATOM 830 CD GLN A 60 7.748 8.151 -13.569 1.00 50.55 C ATOM 831 OE1 GLN A 60 8.730 8.835 -13.270 1.00 49.45 O ATOM 832 NE2 GLN A 60 7.421 7.878 -14.827 1.00 49.38 N ATOM 0 H GLN A 60 6.839 4.711 -12.181 1.00 49.53 H new ATOM 0 HA GLN A 60 9.255 6.216 -12.567 1.00 50.07 H new ATOM 0 HB2 GLN A 60 6.919 6.522 -10.638 1.00 49.82 H new ATOM 0 HB3 GLN A 60 8.196 7.704 -10.847 1.00 49.82 H new ATOM 0 HG2 GLN A 60 6.179 6.835 -12.943 1.00 49.82 H new ATOM 0 HG3 GLN A 60 6.210 8.368 -12.095 1.00 49.82 H new ATOM 0 HE21 GLN A 60 6.600 7.308 -15.028 1.00 49.38 H new ATOM 0 HE22 GLN A 60 7.991 8.239 -15.592 1.00 49.38 H new ATOM 841 N ALA A 61 8.917 4.318 -9.940 1.00 49.53 N ATOM 842 CA ALA A 61 9.670 3.685 -8.863 1.00 50.07 C ATOM 843 C ALA A 61 10.970 3.082 -9.380 1.00 50.51 C ATOM 844 O ALA A 61 12.024 3.236 -8.764 1.00 49.49 O ATOM 845 CB ALA A 61 8.823 2.621 -8.180 1.00 49.73 C ATOM 0 H ALA A 61 8.002 3.902 -10.115 1.00 49.53 H new ATOM 0 HA ALA A 61 9.925 4.453 -8.132 1.00 50.07 H new ATOM 0 HB1 ALA A 61 9.398 2.157 -7.379 1.00 49.73 H new ATOM 0 HB2 ALA A 61 7.927 3.081 -7.764 1.00 49.73 H new ATOM 0 HB3 ALA A 61 8.537 1.861 -8.908 1.00 49.73 H new ATOM 851 N PHE A 62 10.887 2.397 -10.516 1.00 49.53 N ATOM 852 CA PHE A 62 12.073 1.860 -11.174 1.00 50.07 C ATOM 853 C PHE A 62 13.001 2.977 -11.633 1.00 50.51 C ATOM 854 O PHE A 62 14.221 2.875 -11.505 1.00 49.49 O ATOM 855 CB PHE A 62 11.673 0.985 -12.363 1.00 49.82 C ATOM 856 CG PHE A 62 12.841 0.470 -13.156 1.00 50.00 C ATOM 857 CD1 PHE A 62 13.665 -0.519 -12.639 1.00 49.88 C ATOM 858 CD2 PHE A 62 13.117 0.972 -14.417 1.00 49.88 C ATOM 859 CE1 PHE A 62 14.740 -0.994 -13.368 1.00 49.88 C ATOM 860 CE2 PHE A 62 14.190 0.499 -15.149 1.00 49.88 C ATOM 861 CZ PHE A 62 15.002 -0.485 -14.621 1.00 49.88 C ATOM 0 H PHE A 62 10.011 2.201 -11.000 1.00 49.53 H new ATOM 0 HA PHE A 62 12.610 1.249 -10.449 1.00 50.07 H new ATOM 0 HB2 PHE A 62 11.091 0.138 -12.000 1.00 49.82 H new ATOM 0 HB3 PHE A 62 11.023 1.559 -13.023 1.00 49.82 H new ATOM 0 HD1 PHE A 62 13.465 -0.922 -11.657 1.00 49.88 H new ATOM 0 HD2 PHE A 62 12.486 1.743 -14.834 1.00 49.88 H new ATOM 0 HE1 PHE A 62 15.374 -1.764 -12.955 1.00 49.88 H new ATOM 0 HE2 PHE A 62 14.393 0.898 -16.132 1.00 49.88 H new ATOM 0 HZ PHE A 62 15.842 -0.855 -15.190 1.00 49.88 H new ATOM 871 N ASN A 63 12.416 4.044 -12.168 1.00 49.53 N ATOM 872 CA ASN A 63 13.184 5.211 -12.582 1.00 50.07 C ATOM 873 C ASN A 63 13.937 5.821 -11.407 1.00 50.51 C ATOM 874 O ASN A 63 15.048 6.327 -11.563 1.00 49.49 O ATOM 875 CB ASN A 63 12.298 6.255 -13.236 1.00 49.82 C ATOM 876 CG ASN A 63 11.867 5.895 -14.631 1.00 50.55 C ATOM 877 OD1 ASN A 63 12.486 5.058 -15.298 1.00 49.45 O ATOM 878 ND2 ASN A 63 10.859 6.583 -15.105 1.00 49.38 N ATOM 0 H ASN A 63 11.411 4.124 -12.325 1.00 49.53 H new ATOM 0 HA ASN A 63 13.912 4.872 -13.319 1.00 50.07 H new ATOM 0 HB2 ASN A 63 11.412 6.405 -12.619 1.00 49.82 H new ATOM 0 HB3 ASN A 63 12.831 7.205 -13.264 1.00 49.82 H new ATOM 0 HD21 ASN A 63 10.551 6.440 -16.067 1.00 49.38 H new ATOM 0 HD22 ASN A 63 10.382 7.262 -14.512 1.00 49.38 H new ATOM 885 N ALA A 64 13.325 5.770 -10.228 1.00 49.53 N ATOM 886 CA ALA A 64 13.969 6.243 -9.009 1.00 50.07 C ATOM 887 C ALA A 64 15.082 5.298 -8.572 1.00 50.51 C ATOM 888 O ALA A 64 16.134 5.736 -8.108 1.00 49.49 O ATOM 889 CB ALA A 64 12.943 6.408 -7.897 1.00 49.73 C ATOM 0 H ALA A 64 12.382 5.405 -10.092 1.00 49.53 H new ATOM 0 HA ALA A 64 14.417 7.214 -9.219 1.00 50.07 H new ATOM 0 HB1 ALA A 64 13.439 6.762 -6.993 1.00 49.73 H new ATOM 0 HB2 ALA A 64 12.188 7.132 -8.203 1.00 49.73 H new ATOM 0 HB3 ALA A 64 12.466 5.449 -7.697 1.00 49.73 H new ATOM 895 N TYR A 65 14.842 4.000 -8.723 1.00 49.53 N ATOM 896 CA TYR A 65 15.854 2.994 -8.422 1.00 50.07 C ATOM 897 C TYR A 65 17.112 3.214 -9.254 1.00 50.51 C ATOM 898 O TYR A 65 18.228 3.085 -8.752 1.00 49.49 O ATOM 899 CB TYR A 65 15.301 1.588 -8.668 1.00 49.82 C ATOM 900 CG TYR A 65 16.352 0.501 -8.632 1.00 50.00 C ATOM 901 CD1 TYR A 65 16.995 0.170 -7.448 1.00 49.88 C ATOM 902 CD2 TYR A 65 16.698 -0.192 -9.783 1.00 49.88 C ATOM 903 CE1 TYR A 65 17.955 -0.823 -7.411 1.00 49.88 C ATOM 904 CE2 TYR A 65 17.656 -1.185 -9.757 1.00 49.88 C ATOM 905 CZ TYR A 65 18.284 -1.498 -8.569 1.00 50.11 C ATOM 906 OH TYR A 65 19.239 -2.488 -8.537 1.00 49.46 O ATOM 0 H TYR A 65 13.955 3.620 -9.052 1.00 49.53 H new ATOM 0 HA TYR A 65 16.119 3.091 -7.369 1.00 50.07 H new ATOM 0 HB2 TYR A 65 14.542 1.370 -7.917 1.00 49.82 H new ATOM 0 HB3 TYR A 65 14.805 1.568 -9.638 1.00 49.82 H new ATOM 0 HD1 TYR A 65 16.741 0.697 -6.540 1.00 49.88 H new ATOM 0 HD2 TYR A 65 16.209 0.050 -10.715 1.00 49.88 H new ATOM 0 HE1 TYR A 65 18.445 -1.070 -6.481 1.00 49.88 H new ATOM 0 HE2 TYR A 65 17.913 -1.715 -10.662 1.00 49.88 H new ATOM 0 HH TYR A 65 19.513 -2.708 -9.452 1.00 49.46 H new ATOM 916 N LYS A 66 16.923 3.543 -10.527 1.00 49.53 N ATOM 917 CA LYS A 66 18.040 3.852 -11.412 1.00 50.07 C ATOM 918 C LYS A 66 18.986 2.664 -11.540 1.00 50.51 C ATOM 919 O LYS A 66 19.992 2.732 -12.246 1.00 49.49 O ATOM 920 CB LYS A 66 18.802 5.078 -10.905 1.00 49.82 C ATOM 921 CG LYS A 66 18.002 6.373 -10.936 1.00 49.82 C ATOM 922 CD LYS A 66 18.840 7.552 -10.465 1.00 49.82 C ATOM 923 CE LYS A 66 18.015 8.830 -10.410 1.00 50.21 C ATOM 924 NZ LYS A 66 18.848 10.016 -10.069 1.00 49.70 N ATOM 0 H LYS A 66 16.006 3.603 -10.970 1.00 49.53 H new ATOM 0 HA LYS A 66 17.632 4.072 -12.399 1.00 50.07 H new ATOM 0 HB2 LYS A 66 19.128 4.891 -9.882 1.00 49.82 H new ATOM 0 HB3 LYS A 66 19.701 5.206 -11.507 1.00 49.82 H new ATOM 0 HG2 LYS A 66 17.646 6.559 -11.949 1.00 49.82 H new ATOM 0 HG3 LYS A 66 17.121 6.274 -10.302 1.00 49.82 H new ATOM 0 HD2 LYS A 66 19.250 7.338 -9.478 1.00 49.82 H new ATOM 0 HD3 LYS A 66 19.686 7.691 -11.138 1.00 49.82 H new ATOM 0 HE2 LYS A 66 17.531 8.991 -11.373 1.00 50.21 H new ATOM 0 HE3 LYS A 66 17.222 8.719 -9.670 1.00 50.21 H new ATOM 0 HZ1 LYS A 66 18.248 10.865 -10.042 1.00 49.70 H new ATOM 0 HZ2 LYS A 66 19.290 9.874 -9.138 1.00 49.70 H new ATOM 0 HZ3 LYS A 66 19.589 10.138 -10.789 1.00 49.70 H new TER 938 LYS A 66