USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 413 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= -0.0178 K(o=-0.018,f=-1.3!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.95) 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+ -179:sc= 0.779 (180deg=0.779) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc=-0.00335 K(o=-0.0033,f=-0.99) USER MOD Single : A 35 SER OG : rot 180:sc= 0.159 USER MOD Single : A 38 GLN : amide:sc= -0.0728 X(o=-0.073,f=-0.22) USER MOD Single : A 40 MET CE :methyl -173:sc= -0.718 (180deg=-0.915) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -161:sc= -0.069 (180deg=-0.468) USER MOD Single : A 45 ASN : amide:sc= -0.0419 K(o=-0.042,f=-1.4!) USER MOD Single : A 49 TYR OH : rot 30:sc= 0.525 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -83:sc= 0.969 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TRP A 11 3.643 -1.635 -0.032 1.00 49.53 N ATOM 2 CA TRP A 11 2.678 -1.194 -1.032 1.00 50.07 C ATOM 3 C TRP A 11 1.493 -0.492 -0.381 1.00 50.51 C ATOM 4 O TRP A 11 0.423 -0.377 -0.980 1.00 49.49 O ATOM 5 CB TRP A 11 2.192 -2.382 -1.864 1.00 49.82 C ATOM 6 CG TRP A 11 2.138 -3.668 -1.097 1.00 49.97 C ATOM 7 CD1 TRP A 11 1.399 -3.921 0.019 1.00 50.03 C ATOM 8 CD2 TRP A 11 2.853 -4.875 -1.389 1.00 49.98 C ATOM 9 NE1 TRP A 11 1.607 -5.211 0.443 1.00 49.39 N ATOM 10 CE2 TRP A 11 2.496 -5.818 -0.409 1.00 50.13 C ATOM 11 CE3 TRP A 11 3.759 -5.250 -2.388 1.00 49.88 C ATOM 12 CZ2 TRP A 11 3.011 -7.105 -0.392 1.00 49.88 C ATOM 13 CZ3 TRP A 11 4.275 -6.541 -2.371 1.00 49.88 C ATOM 14 CH2 TRP A 11 3.911 -7.441 -1.403 1.00 49.88 C ATOM 0 HA TRP A 11 3.178 -0.481 -1.688 1.00 50.07 H new ATOM 0 HB2 TRP A 11 1.199 -2.159 -2.255 1.00 49.82 H new ATOM 0 HB3 TRP A 11 2.852 -2.508 -2.723 1.00 49.82 H new ATOM 0 HD1 TRP A 11 0.744 -3.210 0.501 1.00 50.03 H new ATOM 0 HE1 TRP A 11 1.173 -5.646 1.257 1.00 49.39 H new ATOM 0 HE3 TRP A 11 4.051 -4.550 -3.157 1.00 49.88 H new ATOM 0 HZ2 TRP A 11 2.728 -7.816 0.370 1.00 49.88 H new ATOM 0 HZ3 TRP A 11 4.976 -6.841 -3.136 1.00 49.88 H new ATOM 0 HH2 TRP A 11 4.332 -8.435 -1.424 1.00 49.88 H new ATOM 25 N ASN A 12 1.690 -0.025 0.847 1.00 49.53 N ATOM 26 CA ASN A 12 0.622 0.624 1.599 1.00 50.07 C ATOM 27 C ASN A 12 0.191 1.924 0.933 1.00 50.51 C ATOM 28 O ASN A 12 -0.952 2.357 1.077 1.00 49.49 O ATOM 29 CB ASN A 12 1.036 0.884 3.037 1.00 49.82 C ATOM 30 CG ASN A 12 1.087 -0.357 3.885 1.00 50.55 C ATOM 31 OD1 ASN A 12 0.462 -1.375 3.569 1.00 49.45 O ATOM 32 ND2 ASN A 12 1.764 -0.250 5.000 1.00 49.38 N ATOM 0 H ASN A 12 2.579 -0.084 1.343 1.00 49.53 H new ATOM 0 HA ASN A 12 -0.228 -0.059 1.606 1.00 50.07 H new ATOM 0 HB2 ASN A 12 2.017 1.358 3.043 1.00 49.82 H new ATOM 0 HB3 ASN A 12 0.338 1.591 3.485 1.00 49.82 H new ATOM 0 HD21 ASN A 12 1.793 -1.030 5.656 1.00 49.38 H new ATOM 0 HD22 ASN A 12 2.263 0.614 5.213 1.00 49.38 H new ATOM 39 N THR A 13 1.113 2.544 0.205 1.00 49.53 N ATOM 40 CA THR A 13 0.828 3.794 -0.491 1.00 50.07 C ATOM 41 C THR A 13 1.121 3.675 -1.981 1.00 50.51 C ATOM 42 O THR A 13 1.627 2.652 -2.444 1.00 49.49 O ATOM 43 CB THR A 13 1.644 4.963 0.090 1.00 50.14 C ATOM 44 OG1 THR A 13 3.034 4.768 -0.197 1.00 49.34 O ATOM 45 CG2 THR A 13 1.448 5.053 1.596 1.00 49.73 C ATOM 0 H THR A 13 2.066 2.201 0.081 1.00 49.53 H new ATOM 0 HA THR A 13 -0.233 3.997 -0.348 1.00 50.07 H new ATOM 0 HB THR A 13 1.299 5.890 -0.367 1.00 50.14 H new ATOM 0 HG1 THR A 13 3.552 5.514 0.172 1.00 49.34 H new ATOM 0 HG21 THR A 13 2.032 5.885 1.990 1.00 49.73 H new ATOM 0 HG22 THR A 13 0.393 5.214 1.817 1.00 49.73 H new ATOM 0 HG23 THR A 13 1.779 4.125 2.062 1.00 49.73 H new ATOM 53 N LYS A 14 0.800 4.725 -2.727 1.00 49.53 N ATOM 54 CA LYS A 14 1.049 4.749 -4.165 1.00 50.07 C ATOM 55 C LYS A 14 2.539 4.662 -4.467 1.00 50.51 C ATOM 56 O LYS A 14 2.958 3.940 -5.372 1.00 49.49 O ATOM 57 CB LYS A 14 0.459 6.014 -4.790 1.00 49.82 C ATOM 58 CG LYS A 14 -1.063 6.048 -4.825 1.00 49.82 C ATOM 59 CD LYS A 14 -1.574 7.333 -5.459 1.00 49.82 C ATOM 60 CE LYS A 14 -3.095 7.379 -5.469 1.00 50.21 C ATOM 61 NZ LYS A 14 -3.608 8.646 -6.059 1.00 49.70 N ATOM 0 H LYS A 14 0.366 5.572 -2.361 1.00 49.53 H new ATOM 0 HA LYS A 14 0.561 3.878 -4.602 1.00 50.07 H new ATOM 0 HB2 LYS A 14 0.817 6.880 -4.234 1.00 49.82 H new ATOM 0 HB3 LYS A 14 0.836 6.111 -5.808 1.00 49.82 H new ATOM 0 HG2 LYS A 14 -1.435 5.191 -5.386 1.00 49.82 H new ATOM 0 HG3 LYS A 14 -1.454 5.960 -3.811 1.00 49.82 H new ATOM 0 HD2 LYS A 14 -1.186 8.191 -4.910 1.00 49.82 H new ATOM 0 HD3 LYS A 14 -1.199 7.411 -6.480 1.00 49.82 H new ATOM 0 HE2 LYS A 14 -3.480 6.532 -6.037 1.00 50.21 H new ATOM 0 HE3 LYS A 14 -3.468 7.276 -4.450 1.00 50.21 H new ATOM 0 HZ1 LYS A 14 -4.648 8.638 -6.047 1.00 49.70 H new ATOM 0 HZ2 LYS A 14 -3.262 9.453 -5.502 1.00 49.70 H new ATOM 0 HZ3 LYS A 14 -3.273 8.733 -7.040 1.00 49.70 H new ATOM 75 N GLU A 15 3.337 5.401 -3.703 1.00 49.53 N ATOM 76 CA GLU A 15 4.786 5.386 -3.869 1.00 50.07 C ATOM 77 C GLU A 15 5.365 4.019 -3.529 1.00 50.51 C ATOM 78 O GLU A 15 6.257 3.523 -4.218 1.00 49.49 O ATOM 79 CB GLU A 15 5.435 6.464 -3.000 1.00 49.82 C ATOM 80 CG GLU A 15 5.170 7.890 -3.463 1.00 49.72 C ATOM 81 CD GLU A 15 5.742 8.893 -2.499 1.00 50.62 C ATOM 82 OE1 GLU A 15 6.259 8.487 -1.486 1.00 49.24 O ATOM 83 OE2 GLU A 15 5.762 10.056 -2.826 1.00 49.24 O ATOM 0 H GLU A 15 3.004 6.018 -2.962 1.00 49.53 H new ATOM 0 HA GLU A 15 5.004 5.597 -4.916 1.00 50.07 H new ATOM 0 HB2 GLU A 15 5.075 6.354 -1.977 1.00 49.82 H new ATOM 0 HB3 GLU A 15 6.512 6.296 -2.978 1.00 49.82 H new ATOM 0 HG2 GLU A 15 5.607 8.041 -4.450 1.00 49.72 H new ATOM 0 HG3 GLU A 15 4.096 8.049 -3.562 1.00 49.72 H new ATOM 90 N GLU A 16 4.854 3.414 -2.463 1.00 49.53 N ATOM 91 CA GLU A 16 5.282 2.080 -2.060 1.00 50.07 C ATOM 92 C GLU A 16 4.975 1.054 -3.143 1.00 50.51 C ATOM 93 O GLU A 16 5.788 0.173 -3.424 1.00 49.49 O ATOM 94 CB GLU A 16 4.609 1.676 -0.746 1.00 49.82 C ATOM 95 CG GLU A 16 5.210 2.323 0.494 1.00 49.72 C ATOM 96 CD GLU A 16 4.522 1.853 1.745 1.00 50.62 C ATOM 97 OE1 GLU A 16 4.354 0.666 1.898 1.00 49.24 O ATOM 98 OE2 GLU A 16 4.263 2.667 2.598 1.00 49.24 O ATOM 0 H GLU A 16 4.141 3.827 -1.861 1.00 49.53 H new ATOM 0 HA GLU A 16 6.361 2.106 -1.911 1.00 50.07 H new ATOM 0 HB2 GLU A 16 3.551 1.934 -0.799 1.00 49.82 H new ATOM 0 HB3 GLU A 16 4.667 0.593 -0.640 1.00 49.82 H new ATOM 0 HG2 GLU A 16 6.273 2.087 0.551 1.00 49.72 H new ATOM 0 HG3 GLU A 16 5.128 3.407 0.417 1.00 49.72 H new ATOM 105 N ALA A 17 3.798 1.171 -3.746 1.00 49.53 N ATOM 106 CA ALA A 17 3.374 0.243 -4.789 1.00 50.07 C ATOM 107 C ALA A 17 4.267 0.352 -6.018 1.00 50.51 C ATOM 108 O ALA A 17 4.644 -0.657 -6.614 1.00 49.49 O ATOM 109 CB ALA A 17 1.921 0.492 -5.161 1.00 49.73 C ATOM 0 H ALA A 17 3.119 1.901 -3.531 1.00 49.53 H new ATOM 0 HA ALA A 17 3.466 -0.770 -4.397 1.00 50.07 H new ATOM 0 HB1 ALA A 17 1.620 -0.208 -5.940 1.00 49.73 H new ATOM 0 HB2 ALA A 17 1.291 0.350 -4.283 1.00 49.73 H new ATOM 0 HB3 ALA A 17 1.809 1.513 -5.527 1.00 49.73 H new ATOM 115 N LYS A 18 4.602 1.582 -6.394 1.00 49.53 N ATOM 116 CA LYS A 18 5.447 1.824 -7.556 1.00 50.07 C ATOM 117 C LYS A 18 6.844 1.253 -7.351 1.00 50.51 C ATOM 118 O LYS A 18 7.393 0.594 -8.234 1.00 49.49 O ATOM 119 CB LYS A 18 5.530 3.321 -7.855 1.00 49.82 C ATOM 120 CG LYS A 18 4.244 3.926 -8.404 1.00 49.82 C ATOM 121 CD LYS A 18 4.389 5.423 -8.631 1.00 49.82 C ATOM 122 CE LYS A 18 3.089 6.037 -9.128 1.00 50.21 C ATOM 123 NZ LYS A 18 3.211 7.504 -9.343 1.00 49.70 N ATOM 0 H LYS A 18 4.300 2.427 -5.909 1.00 49.53 H new ATOM 0 HA LYS A 18 4.994 1.317 -8.408 1.00 50.07 H new ATOM 0 HB2 LYS A 18 5.803 3.847 -6.940 1.00 49.82 H new ATOM 0 HB3 LYS A 18 6.333 3.492 -8.572 1.00 49.82 H new ATOM 0 HG2 LYS A 18 3.982 3.438 -9.343 1.00 49.82 H new ATOM 0 HG3 LYS A 18 3.426 3.739 -7.708 1.00 49.82 H new ATOM 0 HD2 LYS A 18 4.689 5.906 -7.701 1.00 49.82 H new ATOM 0 HD3 LYS A 18 5.181 5.608 -9.357 1.00 49.82 H new ATOM 0 HE2 LYS A 18 2.795 5.557 -10.062 1.00 50.21 H new ATOM 0 HE3 LYS A 18 2.296 5.841 -8.406 1.00 50.21 H new ATOM 0 HZ1 LYS A 18 2.303 7.882 -9.681 1.00 49.70 H new ATOM 0 HZ2 LYS A 18 3.466 7.966 -8.447 1.00 49.70 H new ATOM 0 HZ3 LYS A 18 3.949 7.691 -10.051 1.00 49.70 H new ATOM 137 N GLN A 19 7.416 1.509 -6.179 1.00 49.53 N ATOM 138 CA GLN A 19 8.755 1.028 -5.858 1.00 50.07 C ATOM 139 C GLN A 19 8.779 -0.490 -5.729 1.00 50.51 C ATOM 140 O GLN A 19 9.669 -1.155 -6.260 1.00 49.49 O ATOM 141 CB GLN A 19 9.257 1.666 -4.561 1.00 49.82 C ATOM 142 CG GLN A 19 9.585 3.144 -4.679 1.00 49.82 C ATOM 143 CD GLN A 19 9.923 3.772 -3.340 1.00 50.55 C ATOM 144 OE1 GLN A 19 9.855 3.116 -2.297 1.00 49.45 O ATOM 145 NE2 GLN A 19 10.286 5.049 -3.361 1.00 49.38 N ATOM 0 H GLN A 19 6.973 2.048 -5.435 1.00 49.53 H new ATOM 0 HA GLN A 19 9.415 1.315 -6.677 1.00 50.07 H new ATOM 0 HB2 GLN A 19 8.500 1.534 -3.788 1.00 49.82 H new ATOM 0 HB3 GLN A 19 10.148 1.133 -4.229 1.00 49.82 H new ATOM 0 HG2 GLN A 19 10.426 3.273 -5.360 1.00 49.82 H new ATOM 0 HG3 GLN A 19 8.736 3.668 -5.118 1.00 49.82 H new ATOM 0 HE21 GLN A 19 10.328 5.553 -4.247 1.00 49.38 H new ATOM 0 HE22 GLN A 19 10.522 5.526 -2.491 1.00 49.38 H new ATOM 154 N ALA A 20 7.796 -1.033 -5.018 1.00 49.53 N ATOM 155 CA ALA A 20 7.688 -2.475 -4.837 1.00 50.07 C ATOM 156 C ALA A 20 7.455 -3.181 -6.167 1.00 50.51 C ATOM 157 O ALA A 20 7.914 -4.306 -6.372 1.00 49.49 O ATOM 158 CB ALA A 20 6.572 -2.804 -3.856 1.00 49.73 C ATOM 0 H ALA A 20 7.062 -0.495 -4.557 1.00 49.53 H new ATOM 0 HA ALA A 20 8.632 -2.835 -4.427 1.00 50.07 H new ATOM 0 HB1 ALA A 20 6.504 -3.885 -3.731 1.00 49.73 H new ATOM 0 HB2 ALA A 20 6.786 -2.340 -2.893 1.00 49.73 H new ATOM 0 HB3 ALA A 20 5.626 -2.423 -4.240 1.00 49.73 H new ATOM 164 N PHE A 21 6.739 -2.516 -7.067 1.00 49.53 N ATOM 165 CA PHE A 21 6.491 -3.056 -8.399 1.00 50.07 C ATOM 166 C PHE A 21 7.787 -3.203 -9.184 1.00 50.51 C ATOM 167 O PHE A 21 8.053 -4.253 -9.770 1.00 49.49 O ATOM 168 CB PHE A 21 5.511 -2.163 -9.162 1.00 49.82 C ATOM 169 CG PHE A 21 5.170 -2.672 -10.533 1.00 50.00 C ATOM 170 CD1 PHE A 21 4.307 -3.746 -10.697 1.00 49.88 C ATOM 171 CD2 PHE A 21 5.711 -2.079 -11.664 1.00 49.88 C ATOM 172 CE1 PHE A 21 3.993 -4.215 -11.958 1.00 49.88 C ATOM 173 CE2 PHE A 21 5.398 -2.545 -12.927 1.00 49.88 C ATOM 174 CZ PHE A 21 4.539 -3.614 -13.073 1.00 49.88 C ATOM 0 H PHE A 21 6.320 -1.602 -6.898 1.00 49.53 H new ATOM 0 HA PHE A 21 6.051 -4.046 -8.282 1.00 50.07 H new ATOM 0 HB2 PHE A 21 4.593 -2.067 -8.581 1.00 49.82 H new ATOM 0 HB3 PHE A 21 5.938 -1.164 -9.251 1.00 49.82 H new ATOM 0 HD1 PHE A 21 3.876 -4.221 -9.828 1.00 49.88 H new ATOM 0 HD2 PHE A 21 6.385 -1.242 -11.556 1.00 49.88 H new ATOM 0 HE1 PHE A 21 3.320 -5.052 -12.071 1.00 49.88 H new ATOM 0 HE2 PHE A 21 5.826 -2.072 -13.799 1.00 49.88 H new ATOM 0 HZ PHE A 21 4.294 -3.980 -14.059 1.00 49.88 H new ATOM 184 N LYS A 22 8.591 -2.146 -9.195 1.00 49.53 N ATOM 185 CA LYS A 22 9.879 -2.167 -9.878 1.00 50.07 C ATOM 186 C LYS A 22 10.793 -3.237 -9.293 1.00 50.51 C ATOM 187 O LYS A 22 11.526 -3.907 -10.022 1.00 49.49 O ATOM 188 CB LYS A 22 10.553 -0.797 -9.795 1.00 49.82 C ATOM 189 CG LYS A 22 9.870 0.290 -10.615 1.00 49.82 C ATOM 190 CD LYS A 22 10.588 1.624 -10.470 1.00 49.82 C ATOM 191 CE LYS A 22 9.887 2.719 -11.261 1.00 50.21 C ATOM 192 NZ LYS A 22 10.565 4.034 -11.113 1.00 49.70 N ATOM 0 H LYS A 22 8.373 -1.261 -8.737 1.00 49.53 H new ATOM 0 HA LYS A 22 9.697 -2.408 -10.925 1.00 50.07 H new ATOM 0 HB2 LYS A 22 10.584 -0.483 -8.752 1.00 49.82 H new ATOM 0 HB3 LYS A 22 11.586 -0.893 -10.130 1.00 49.82 H new ATOM 0 HG2 LYS A 22 9.849 -0.002 -11.665 1.00 49.82 H new ATOM 0 HG3 LYS A 22 8.834 0.395 -10.293 1.00 49.82 H new ATOM 0 HD2 LYS A 22 10.631 1.904 -9.417 1.00 49.82 H new ATOM 0 HD3 LYS A 22 11.617 1.525 -10.816 1.00 49.82 H new ATOM 0 HE2 LYS A 22 9.858 2.443 -12.315 1.00 50.21 H new ATOM 0 HE3 LYS A 22 8.854 2.804 -10.925 1.00 50.21 H new ATOM 0 HZ1 LYS A 22 10.056 4.752 -11.667 1.00 49.70 H new ATOM 0 HZ2 LYS A 22 10.571 4.311 -10.111 1.00 49.70 H new ATOM 0 HZ3 LYS A 22 11.544 3.961 -11.457 1.00 49.70 H new ATOM 206 N GLU A 23 10.746 -3.393 -7.975 1.00 49.53 N ATOM 207 CA GLU A 23 11.536 -4.412 -7.295 1.00 50.07 C ATOM 208 C GLU A 23 11.062 -5.813 -7.664 1.00 50.51 C ATOM 209 O GLU A 23 11.872 -6.708 -7.903 1.00 49.49 O ATOM 210 CB GLU A 23 11.471 -4.218 -5.779 1.00 49.82 C ATOM 211 CG GLU A 23 12.233 -3.003 -5.268 1.00 49.72 C ATOM 212 CD GLU A 23 11.966 -2.765 -3.808 1.00 50.62 C ATOM 213 OE1 GLU A 23 11.157 -3.465 -3.250 1.00 49.24 O ATOM 214 OE2 GLU A 23 12.652 -1.961 -3.223 1.00 49.24 O ATOM 0 H GLU A 23 10.168 -2.826 -7.355 1.00 49.53 H new ATOM 0 HA GLU A 23 12.570 -4.304 -7.621 1.00 50.07 H new ATOM 0 HB2 GLU A 23 10.426 -4.129 -5.481 1.00 49.82 H new ATOM 0 HB3 GLU A 23 11.866 -5.110 -5.293 1.00 49.82 H new ATOM 0 HG2 GLU A 23 13.302 -3.149 -5.425 1.00 49.72 H new ATOM 0 HG3 GLU A 23 11.944 -2.122 -5.841 1.00 49.72 H new ATOM 221 N ALA A 24 9.747 -5.995 -7.708 1.00 49.53 N ATOM 222 CA ALA A 24 9.163 -7.277 -8.082 1.00 50.07 C ATOM 223 C ALA A 24 9.501 -7.636 -9.523 1.00 50.51 C ATOM 224 O ALA A 24 9.699 -8.806 -9.852 1.00 49.49 O ATOM 225 CB ALA A 24 7.655 -7.251 -7.879 1.00 49.73 C ATOM 0 H ALA A 24 9.064 -5.269 -7.489 1.00 49.53 H new ATOM 0 HA ALA A 24 9.591 -8.044 -7.436 1.00 50.07 H new ATOM 0 HB1 ALA A 24 7.233 -8.215 -8.163 1.00 49.73 H new ATOM 0 HB2 ALA A 24 7.432 -7.052 -6.831 1.00 49.73 H new ATOM 0 HB3 ALA A 24 7.218 -6.468 -8.498 1.00 49.73 H new ATOM 231 N LEU A 25 9.569 -6.623 -10.381 1.00 49.53 N ATOM 232 CA LEU A 25 9.973 -6.818 -11.768 1.00 50.07 C ATOM 233 C LEU A 25 11.330 -7.504 -11.854 1.00 50.51 C ATOM 234 O LEU A 25 11.525 -8.420 -12.654 1.00 49.49 O ATOM 235 CB LEU A 25 10.006 -5.474 -12.505 1.00 49.82 C ATOM 236 CG LEU A 25 8.789 -5.186 -13.394 1.00 49.91 C ATOM 237 CD1 LEU A 25 7.533 -5.775 -12.766 1.00 49.73 C ATOM 238 CD2 LEU A 25 8.643 -3.685 -13.587 1.00 49.73 C ATOM 0 H LEU A 25 9.349 -5.657 -10.139 1.00 49.53 H new ATOM 0 HA LEU A 25 9.238 -7.465 -12.247 1.00 50.07 H new ATOM 0 HB2 LEU A 25 10.094 -4.676 -11.768 1.00 49.82 H new ATOM 0 HB3 LEU A 25 10.903 -5.438 -13.123 1.00 49.82 H new ATOM 0 HG LEU A 25 8.933 -5.651 -14.369 1.00 49.91 H new ATOM 0 HD11 LEU A 25 6.675 -5.565 -13.404 1.00 49.73 H new ATOM 0 HD12 LEU A 25 7.651 -6.853 -12.659 1.00 49.73 H new ATOM 0 HD13 LEU A 25 7.373 -5.328 -11.785 1.00 49.73 H new ATOM 0 HD21 LEU A 25 7.778 -3.482 -14.219 1.00 49.73 H new ATOM 0 HD22 LEU A 25 8.505 -3.205 -12.618 1.00 49.73 H new ATOM 0 HD23 LEU A 25 9.541 -3.290 -14.063 1.00 49.73 H new ATOM 250 N LYS A 26 12.268 -7.055 -11.026 1.00 49.53 N ATOM 251 CA LYS A 26 13.583 -7.678 -10.949 1.00 50.07 C ATOM 252 C LYS A 26 13.492 -9.093 -10.392 1.00 50.51 C ATOM 253 O LYS A 26 14.171 -10.003 -10.867 1.00 49.49 O ATOM 254 CB LYS A 26 14.526 -6.835 -10.088 1.00 49.82 C ATOM 255 CG LYS A 26 14.921 -5.502 -10.710 1.00 49.82 C ATOM 256 CD LYS A 26 15.835 -4.711 -9.786 1.00 49.82 C ATOM 257 CE LYS A 26 16.202 -3.363 -10.391 1.00 50.21 C ATOM 258 NZ LYS A 26 17.073 -2.565 -9.485 1.00 49.70 N ATOM 0 H LYS A 26 12.141 -6.261 -10.399 1.00 49.53 H new ATOM 0 HA LYS A 26 13.983 -7.735 -11.961 1.00 50.07 H new ATOM 0 HB2 LYS A 26 14.049 -6.646 -9.126 1.00 49.82 H new ATOM 0 HB3 LYS A 26 15.429 -7.411 -9.889 1.00 49.82 H new ATOM 0 HG2 LYS A 26 15.424 -5.677 -11.661 1.00 49.82 H new ATOM 0 HG3 LYS A 26 14.026 -4.919 -10.926 1.00 49.82 H new ATOM 0 HD2 LYS A 26 15.342 -4.559 -8.826 1.00 49.82 H new ATOM 0 HD3 LYS A 26 16.742 -5.283 -9.591 1.00 49.82 H new ATOM 0 HE2 LYS A 26 16.713 -3.519 -11.341 1.00 50.21 H new ATOM 0 HE3 LYS A 26 15.292 -2.802 -10.606 1.00 50.21 H new ATOM 0 HZ1 LYS A 26 17.300 -1.655 -9.934 1.00 49.70 H new ATOM 0 HZ2 LYS A 26 16.576 -2.394 -8.588 1.00 49.70 H new ATOM 0 HZ3 LYS A 26 17.953 -3.088 -9.299 1.00 49.70 H new ATOM 272 N GLU A 27 12.647 -9.272 -9.383 1.00 49.53 N ATOM 273 CA GLU A 27 12.449 -10.581 -8.773 1.00 50.07 C ATOM 274 C GLU A 27 11.827 -11.561 -9.759 1.00 50.51 C ATOM 275 O GLU A 27 11.992 -12.774 -9.633 1.00 49.49 O ATOM 276 CB GLU A 27 11.572 -10.464 -7.525 1.00 49.82 C ATOM 277 CG GLU A 27 12.227 -9.732 -6.362 1.00 49.72 C ATOM 278 CD GLU A 27 13.488 -10.422 -5.923 1.00 50.62 C ATOM 279 OE1 GLU A 27 13.437 -11.598 -5.656 1.00 49.24 O ATOM 280 OE2 GLU A 27 14.525 -9.801 -5.962 1.00 49.24 O ATOM 0 H GLU A 27 12.088 -8.526 -8.970 1.00 49.53 H new ATOM 0 HA GLU A 27 13.428 -10.964 -8.484 1.00 50.07 H new ATOM 0 HB2 GLU A 27 10.650 -9.947 -7.791 1.00 49.82 H new ATOM 0 HB3 GLU A 27 11.293 -11.465 -7.197 1.00 49.82 H new ATOM 0 HG2 GLU A 27 12.454 -8.707 -6.656 1.00 49.72 H new ATOM 0 HG3 GLU A 27 11.530 -9.677 -5.526 1.00 49.72 H new ATOM 287 N LYS A 28 11.109 -11.027 -10.742 1.00 49.53 N ATOM 288 CA LYS A 28 10.440 -11.854 -11.739 1.00 50.07 C ATOM 289 C LYS A 28 11.243 -11.916 -13.032 1.00 50.51 C ATOM 290 O LYS A 28 10.778 -12.452 -14.038 1.00 49.49 O ATOM 291 CB LYS A 28 9.033 -11.324 -12.019 1.00 49.82 C ATOM 292 CG LYS A 28 8.076 -11.427 -10.839 1.00 49.82 C ATOM 293 CD LYS A 28 8.231 -12.757 -10.114 1.00 49.82 C ATOM 294 CE LYS A 28 7.591 -13.892 -10.898 1.00 50.21 C ATOM 295 NZ LYS A 28 7.551 -15.157 -10.114 1.00 49.70 N ATOM 0 H LYS A 28 10.976 -10.024 -10.869 1.00 49.53 H new ATOM 0 HA LYS A 28 10.364 -12.864 -11.336 1.00 50.07 H new ATOM 0 HB2 LYS A 28 9.105 -10.280 -12.323 1.00 49.82 H new ATOM 0 HB3 LYS A 28 8.612 -11.873 -12.862 1.00 49.82 H new ATOM 0 HG2 LYS A 28 8.263 -10.608 -10.144 1.00 49.82 H new ATOM 0 HG3 LYS A 28 7.050 -11.319 -11.190 1.00 49.82 H new ATOM 0 HD2 LYS A 28 9.289 -12.969 -9.961 1.00 49.82 H new ATOM 0 HD3 LYS A 28 7.774 -12.691 -9.127 1.00 49.82 H new ATOM 0 HE2 LYS A 28 6.577 -13.610 -11.183 1.00 50.21 H new ATOM 0 HE3 LYS A 28 8.148 -14.055 -11.821 1.00 50.21 H new ATOM 0 HZ1 LYS A 28 7.123 -15.909 -10.690 1.00 49.70 H new ATOM 0 HZ2 LYS A 28 8.518 -15.432 -9.849 1.00 49.70 H new ATOM 0 HZ3 LYS A 28 6.984 -15.015 -9.254 1.00 49.70 H new ATOM 309 N ARG A 29 12.452 -11.363 -12.999 1.00 49.53 N ATOM 310 CA ARG A 29 13.333 -11.379 -14.161 1.00 50.07 C ATOM 311 C ARG A 29 12.648 -10.773 -15.380 1.00 50.51 C ATOM 312 O ARG A 29 12.795 -11.270 -16.497 1.00 49.49 O ATOM 313 CB ARG A 29 13.868 -12.772 -14.457 1.00 49.82 C ATOM 314 CG ARG A 29 14.749 -13.364 -13.368 1.00 49.82 C ATOM 315 CD ARG A 29 15.310 -14.699 -13.693 1.00 50.20 C ATOM 316 NE ARG A 29 16.004 -15.346 -12.591 1.00 49.30 N ATOM 317 CZ ARG A 29 16.552 -16.576 -12.648 1.00 50.64 C ATOM 318 NH1 ARG A 29 16.457 -17.310 -13.735 1.00 49.20 N ATOM 319 NH2 ARG A 29 17.168 -17.034 -11.573 1.00 49.20 N ATOM 0 H ARG A 29 12.843 -10.898 -12.180 1.00 49.53 H new ATOM 0 HA ARG A 29 14.194 -10.757 -13.918 1.00 50.07 H new ATOM 0 HB2 ARG A 29 13.024 -13.441 -14.625 1.00 49.82 H new ATOM 0 HB3 ARG A 29 14.437 -12.737 -15.386 1.00 49.82 H new ATOM 0 HG2 ARG A 29 15.571 -12.676 -13.169 1.00 49.82 H new ATOM 0 HG3 ARG A 29 14.168 -13.441 -12.449 1.00 49.82 H new ATOM 0 HD2 ARG A 29 14.500 -15.348 -14.027 1.00 50.20 H new ATOM 0 HD3 ARG A 29 16.001 -14.595 -14.530 1.00 50.20 H new ATOM 0 HE ARG A 29 16.082 -14.833 -11.713 1.00 49.30 H new ATOM 0 HH11 ARG A 29 15.963 -16.950 -14.552 1.00 49.20 H new ATOM 0 HH12 ARG A 29 16.878 -18.239 -13.761 1.00 49.20 H new ATOM 0 HH21 ARG A 29 17.219 -16.460 -10.731 1.00 49.20 H new ATOM 0 HH22 ARG A 29 17.593 -17.961 -11.585 1.00 49.20 H new ATOM 333 N VAL A 30 11.900 -9.698 -15.159 1.00 49.53 N ATOM 334 CA VAL A 30 11.192 -9.021 -16.238 1.00 50.07 C ATOM 335 C VAL A 30 12.161 -8.308 -17.172 1.00 50.51 C ATOM 336 O VAL A 30 12.944 -7.462 -16.740 1.00 49.49 O ATOM 337 CB VAL A 30 10.172 -8.002 -15.696 1.00 49.91 C ATOM 338 CG1 VAL A 30 9.512 -7.248 -16.841 1.00 49.73 C ATOM 339 CG2 VAL A 30 9.123 -8.699 -14.844 1.00 49.73 C ATOM 0 H VAL A 30 11.768 -9.276 -14.240 1.00 49.53 H new ATOM 0 HA VAL A 30 10.659 -9.792 -16.794 1.00 50.07 H new ATOM 0 HB VAL A 30 10.703 -7.284 -15.070 1.00 49.91 H new ATOM 0 HG11 VAL A 30 8.794 -6.532 -16.440 1.00 49.73 H new ATOM 0 HG12 VAL A 30 10.273 -6.717 -17.413 1.00 49.73 H new ATOM 0 HG13 VAL A 30 8.995 -7.954 -17.492 1.00 49.73 H new ATOM 0 HG21 VAL A 30 8.411 -7.964 -14.470 1.00 49.73 H new ATOM 0 HG22 VAL A 30 8.597 -9.439 -15.447 1.00 49.73 H new ATOM 0 HG23 VAL A 30 9.608 -9.195 -14.003 1.00 49.73 H new ATOM 349 N PRO A 31 12.106 -8.654 -18.453 1.00 49.71 N ATOM 350 CA PRO A 31 13.007 -8.078 -19.443 1.00 50.02 C ATOM 351 C PRO A 31 12.934 -6.556 -19.433 1.00 50.51 C ATOM 352 O PRO A 31 11.858 -5.977 -19.289 1.00 49.49 O ATOM 353 CB PRO A 31 12.529 -8.671 -20.778 1.00 49.82 C ATOM 354 CG PRO A 31 11.850 -9.960 -20.408 1.00 49.82 C ATOM 355 CD PRO A 31 11.063 -9.486 -19.070 1.00 50.00 C ATOM 0 HA PRO A 31 14.054 -8.311 -19.247 1.00 50.02 H new ATOM 0 HB2 PRO A 31 11.842 -7.995 -21.287 1.00 49.82 H new ATOM 0 HB3 PRO A 31 13.365 -8.845 -21.455 1.00 49.82 H new ATOM 0 HG2 PRO A 31 11.174 -10.314 -21.186 1.00 49.82 H new ATOM 0 HG3 PRO A 31 12.559 -10.764 -20.212 1.00 49.82 H new ATOM 0 HD2 PRO A 31 10.157 -8.923 -19.295 1.00 50.00 H new ATOM 0 HD3 PRO A 31 10.769 -10.324 -18.439 1.00 50.00 H new ATOM 363 N SER A 32 14.087 -5.913 -19.587 1.00 49.53 N ATOM 364 CA SER A 32 14.156 -4.456 -19.604 1.00 50.07 C ATOM 365 C SER A 32 13.470 -3.888 -20.840 1.00 50.51 C ATOM 366 O SER A 32 13.140 -2.702 -20.888 1.00 49.49 O ATOM 367 CB SER A 32 15.601 -4.001 -19.545 1.00 50.05 C ATOM 368 OG SER A 32 16.313 -4.356 -20.697 1.00 49.34 O ATOM 0 H SER A 32 14.987 -6.378 -19.702 1.00 49.53 H new ATOM 0 HA SER A 32 13.630 -4.080 -18.726 1.00 50.07 H new ATOM 0 HB2 SER A 32 15.635 -2.919 -19.418 1.00 50.05 H new ATOM 0 HB3 SER A 32 16.083 -4.440 -18.672 1.00 50.05 H new ATOM 0 HG SER A 32 17.238 -4.043 -20.619 1.00 49.34 H new ATOM 374 N ASN A 33 13.260 -4.738 -21.838 1.00 49.53 N ATOM 375 CA ASN A 33 12.607 -4.323 -23.074 1.00 50.07 C ATOM 376 C ASN A 33 11.116 -4.636 -23.041 1.00 50.51 C ATOM 377 O ASN A 33 10.403 -4.412 -24.019 1.00 49.49 O ATOM 378 CB ASN A 33 13.252 -4.968 -24.287 1.00 49.82 C ATOM 379 CG ASN A 33 14.640 -4.466 -24.574 1.00 50.55 C ATOM 380 OD1 ASN A 33 14.984 -3.320 -24.260 1.00 49.45 O ATOM 381 ND2 ASN A 33 15.411 -5.287 -25.239 1.00 49.38 N ATOM 0 H ASN A 33 13.533 -5.721 -21.816 1.00 49.53 H new ATOM 0 HA ASN A 33 12.732 -3.243 -23.157 1.00 50.07 H new ATOM 0 HB2 ASN A 33 13.290 -6.047 -24.136 1.00 49.82 H new ATOM 0 HB3 ASN A 33 12.623 -4.790 -25.159 1.00 49.82 H new ATOM 0 HD21 ASN A 33 16.345 -4.992 -25.524 1.00 49.38 H new ATOM 0 HD22 ASN A 33 15.078 -6.222 -25.473 1.00 49.38 H new ATOM 388 N ALA A 34 10.651 -5.156 -21.911 1.00 49.53 N ATOM 389 CA ALA A 34 9.241 -5.490 -21.744 1.00 50.07 C ATOM 390 C ALA A 34 8.398 -4.235 -21.547 1.00 50.51 C ATOM 391 O ALA A 34 8.835 -3.277 -20.912 1.00 49.49 O ATOM 392 CB ALA A 34 9.057 -6.445 -20.573 1.00 49.73 C ATOM 0 H ALA A 34 11.230 -5.356 -21.096 1.00 49.53 H new ATOM 0 HA ALA A 34 8.901 -5.983 -22.655 1.00 50.07 H new ATOM 0 HB1 ALA A 34 8.000 -6.685 -20.462 1.00 49.73 H new ATOM 0 HB2 ALA A 34 9.619 -7.360 -20.758 1.00 49.73 H new ATOM 0 HB3 ALA A 34 9.421 -5.975 -19.659 1.00 49.73 H new ATOM 398 N SER A 35 7.189 -4.250 -22.098 1.00 49.53 N ATOM 399 CA SER A 35 6.277 -3.120 -21.971 1.00 50.07 C ATOM 400 C SER A 35 5.698 -3.035 -20.564 1.00 50.51 C ATOM 401 O SER A 35 5.912 -3.924 -19.739 1.00 49.49 O ATOM 402 CB SER A 35 5.163 -3.230 -22.994 1.00 50.05 C ATOM 403 OG SER A 35 4.283 -4.279 -22.703 1.00 49.34 O ATOM 0 H SER A 35 6.818 -5.033 -22.637 1.00 49.53 H new ATOM 0 HA SER A 35 6.841 -2.206 -22.157 1.00 50.07 H new ATOM 0 HB2 SER A 35 4.609 -2.292 -23.029 1.00 50.05 H new ATOM 0 HB3 SER A 35 5.594 -3.383 -23.984 1.00 50.05 H new ATOM 0 HG SER A 35 3.580 -4.315 -23.384 1.00 49.34 H new ATOM 409 N TRP A 36 4.962 -1.961 -20.296 1.00 49.53 N ATOM 410 CA TRP A 36 4.292 -1.793 -19.012 1.00 50.07 C ATOM 411 C TRP A 36 3.292 -2.913 -18.761 1.00 50.51 C ATOM 412 O TRP A 36 3.237 -3.476 -17.668 1.00 49.49 O ATOM 413 CB TRP A 36 3.587 -0.436 -18.953 1.00 49.82 C ATOM 414 CG TRP A 36 2.900 -0.176 -17.647 1.00 49.97 C ATOM 415 CD1 TRP A 36 3.456 0.368 -16.528 1.00 50.03 C ATOM 416 CD2 TRP A 36 1.530 -0.446 -17.324 1.00 49.98 C ATOM 417 NE1 TRP A 36 2.520 0.453 -15.528 1.00 49.39 N ATOM 418 CE2 TRP A 36 1.327 -0.041 -15.993 1.00 50.13 C ATOM 419 CE3 TRP A 36 0.455 -0.992 -18.035 1.00 49.88 C ATOM 420 CZ2 TRP A 36 0.102 -0.163 -15.358 1.00 49.88 C ATOM 421 CZ3 TRP A 36 -0.774 -1.115 -17.398 1.00 49.88 C ATOM 422 CH2 TRP A 36 -0.946 -0.710 -16.098 1.00 49.88 C ATOM 0 H TRP A 36 4.815 -1.194 -20.952 1.00 49.53 H new ATOM 0 HA TRP A 36 5.051 -1.834 -18.231 1.00 50.07 H new ATOM 0 HB2 TRP A 36 4.318 0.352 -19.133 1.00 49.82 H new ATOM 0 HB3 TRP A 36 2.854 -0.381 -19.758 1.00 49.82 H new ATOM 0 HD1 TRP A 36 4.484 0.686 -16.441 1.00 50.03 H new ATOM 0 HE1 TRP A 36 2.684 0.823 -14.592 1.00 49.39 H new ATOM 0 HE3 TRP A 36 0.578 -1.312 -19.059 1.00 49.88 H new ATOM 0 HZ2 TRP A 36 -0.036 0.152 -14.334 1.00 49.88 H new ATOM 0 HZ3 TRP A 36 -1.610 -1.537 -17.936 1.00 49.88 H new ATOM 0 HH2 TRP A 36 -1.917 -0.818 -15.637 1.00 49.88 H new ATOM 433 N GLU A 37 2.500 -3.232 -19.781 1.00 49.53 N ATOM 434 CA GLU A 37 1.503 -4.290 -19.674 1.00 50.07 C ATOM 435 C GLU A 37 2.161 -5.647 -19.458 1.00 50.51 C ATOM 436 O GLU A 37 1.687 -6.457 -18.663 1.00 49.49 O ATOM 437 CB GLU A 37 0.624 -4.325 -20.926 1.00 49.82 C ATOM 438 CG GLU A 37 -0.324 -3.143 -21.060 1.00 49.72 C ATOM 439 CD GLU A 37 -1.054 -3.174 -22.374 1.00 50.62 C ATOM 440 OE1 GLU A 37 -0.771 -4.039 -23.170 1.00 49.24 O ATOM 441 OE2 GLU A 37 -1.974 -2.407 -22.540 1.00 49.24 O ATOM 0 H GLU A 37 2.530 -2.772 -20.691 1.00 49.53 H new ATOM 0 HA GLU A 37 0.878 -4.073 -18.808 1.00 50.07 H new ATOM 0 HB2 GLU A 37 1.267 -4.362 -21.806 1.00 49.82 H new ATOM 0 HB3 GLU A 37 0.040 -5.245 -20.920 1.00 49.82 H new ATOM 0 HG2 GLU A 37 -1.044 -3.157 -20.241 1.00 49.72 H new ATOM 0 HG3 GLU A 37 0.237 -2.213 -20.975 1.00 49.72 H new ATOM 448 N GLN A 38 3.255 -5.889 -20.173 1.00 49.53 N ATOM 449 CA GLN A 38 3.995 -7.138 -20.041 1.00 50.07 C ATOM 450 C GLN A 38 4.581 -7.287 -18.643 1.00 50.51 C ATOM 451 O GLN A 38 4.480 -8.348 -18.028 1.00 49.49 O ATOM 452 CB GLN A 38 5.117 -7.209 -21.081 1.00 49.82 C ATOM 453 CG GLN A 38 5.894 -8.514 -21.071 1.00 49.82 C ATOM 454 CD GLN A 38 5.028 -9.707 -21.425 1.00 50.55 C ATOM 455 OE1 GLN A 38 4.253 -9.666 -22.385 1.00 49.45 O ATOM 456 NE2 GLN A 38 5.152 -10.778 -20.650 1.00 49.38 N ATOM 0 H GLN A 38 3.649 -5.236 -20.850 1.00 49.53 H new ATOM 0 HA GLN A 38 3.295 -7.956 -20.211 1.00 50.07 H new ATOM 0 HB2 GLN A 38 4.688 -7.062 -22.072 1.00 49.82 H new ATOM 0 HB3 GLN A 38 5.810 -6.385 -20.908 1.00 49.82 H new ATOM 0 HG2 GLN A 38 6.721 -8.446 -21.778 1.00 49.82 H new ATOM 0 HG3 GLN A 38 6.330 -8.666 -20.084 1.00 49.82 H new ATOM 0 HE21 GLN A 38 5.805 -10.768 -19.867 1.00 49.38 H new ATOM 0 HE22 GLN A 38 4.594 -11.611 -20.838 1.00 49.38 H new ATOM 465 N ALA A 39 5.193 -6.218 -18.147 1.00 49.53 N ATOM 466 CA ALA A 39 5.772 -6.219 -16.809 1.00 50.07 C ATOM 467 C ALA A 39 4.703 -6.435 -15.746 1.00 50.51 C ATOM 468 O ALA A 39 4.935 -7.115 -14.747 1.00 49.49 O ATOM 469 CB ALA A 39 6.522 -4.919 -16.555 1.00 49.73 C ATOM 0 H ALA A 39 5.301 -5.338 -18.652 1.00 49.53 H new ATOM 0 HA ALA A 39 6.477 -7.048 -16.747 1.00 50.07 H new ATOM 0 HB1 ALA A 39 6.948 -4.935 -15.552 1.00 49.73 H new ATOM 0 HB2 ALA A 39 7.322 -4.811 -17.288 1.00 49.73 H new ATOM 0 HB3 ALA A 39 5.834 -4.079 -16.643 1.00 49.73 H new ATOM 475 N MET A 40 3.529 -5.851 -15.967 1.00 49.53 N ATOM 476 CA MET A 40 2.410 -6.008 -15.046 1.00 50.07 C ATOM 477 C MET A 40 1.931 -7.452 -15.003 1.00 50.51 C ATOM 478 O MET A 40 1.701 -8.009 -13.929 1.00 49.49 O ATOM 479 CB MET A 40 1.264 -5.081 -15.447 1.00 49.82 C ATOM 480 CG MET A 40 0.083 -5.087 -14.486 1.00 49.86 C ATOM 481 SD MET A 40 0.528 -4.512 -12.835 1.00 49.91 S ATOM 482 CE MET A 40 0.856 -2.781 -13.157 1.00 49.78 C ATOM 0 H MET A 40 3.329 -5.264 -16.777 1.00 49.53 H new ATOM 0 HA MET A 40 2.753 -5.738 -14.047 1.00 50.07 H new ATOM 0 HB2 MET A 40 1.647 -4.064 -15.526 1.00 49.82 H new ATOM 0 HB3 MET A 40 0.912 -5.367 -16.438 1.00 49.82 H new ATOM 0 HG2 MET A 40 -0.709 -4.454 -14.886 1.00 49.86 H new ATOM 0 HG3 MET A 40 -0.320 -6.097 -14.418 1.00 49.86 H new ATOM 0 HE1 MET A 40 1.263 -2.315 -12.260 1.00 49.78 H new ATOM 0 HE2 MET A 40 1.576 -2.692 -13.971 1.00 49.78 H new ATOM 0 HE3 MET A 40 -0.071 -2.281 -13.437 1.00 49.78 H new ATOM 492 N LYS A 41 1.779 -8.056 -16.177 1.00 49.53 N ATOM 493 CA LYS A 41 1.315 -9.435 -16.276 1.00 50.07 C ATOM 494 C LYS A 41 2.279 -10.390 -15.583 1.00 50.51 C ATOM 495 O LYS A 41 1.859 -11.367 -14.963 1.00 49.49 O ATOM 496 CB LYS A 41 1.140 -9.836 -17.741 1.00 49.82 C ATOM 497 CG LYS A 41 -0.061 -9.200 -18.429 1.00 49.82 C ATOM 498 CD LYS A 41 -0.148 -9.617 -19.889 1.00 49.82 C ATOM 499 CE LYS A 41 -1.337 -8.967 -20.581 1.00 50.21 C ATOM 500 NZ LYS A 41 -1.439 -9.372 -22.009 1.00 49.70 N ATOM 0 H LYS A 41 1.971 -7.611 -17.075 1.00 49.53 H new ATOM 0 HA LYS A 41 0.350 -9.500 -15.774 1.00 50.07 H new ATOM 0 HB2 LYS A 41 2.042 -9.566 -18.289 1.00 49.82 H new ATOM 0 HB3 LYS A 41 1.044 -10.920 -17.799 1.00 49.82 H new ATOM 0 HG2 LYS A 41 -0.975 -9.490 -17.911 1.00 49.82 H new ATOM 0 HG3 LYS A 41 0.012 -8.114 -18.363 1.00 49.82 H new ATOM 0 HD2 LYS A 41 0.772 -9.339 -20.404 1.00 49.82 H new ATOM 0 HD3 LYS A 41 -0.235 -10.702 -19.955 1.00 49.82 H new ATOM 0 HE2 LYS A 41 -2.254 -9.241 -20.060 1.00 50.21 H new ATOM 0 HE3 LYS A 41 -1.246 -7.883 -20.517 1.00 50.21 H new ATOM 0 HZ1 LYS A 41 -2.262 -8.907 -22.444 1.00 49.70 H new ATOM 0 HZ2 LYS A 41 -0.575 -9.088 -22.513 1.00 49.70 H new ATOM 0 HZ3 LYS A 41 -1.552 -10.404 -22.070 1.00 49.70 H new ATOM 514 N MET A 42 3.571 -10.102 -15.691 1.00 49.53 N ATOM 515 CA MET A 42 4.593 -10.903 -15.029 1.00 50.07 C ATOM 516 C MET A 42 4.393 -10.913 -13.520 1.00 50.51 C ATOM 517 O MET A 42 4.814 -11.844 -12.833 1.00 49.49 O ATOM 518 CB MET A 42 5.984 -10.375 -15.375 1.00 49.82 C ATOM 519 CG MET A 42 6.433 -10.671 -16.799 1.00 49.86 C ATOM 520 SD MET A 42 6.668 -12.433 -17.104 1.00 49.91 S ATOM 521 CE MET A 42 8.078 -12.773 -16.054 1.00 49.78 C ATOM 0 H MET A 42 3.936 -9.318 -16.232 1.00 49.53 H new ATOM 0 HA MET A 42 4.503 -11.928 -15.387 1.00 50.07 H new ATOM 0 HB2 MET A 42 5.999 -9.296 -15.219 1.00 49.82 H new ATOM 0 HB3 MET A 42 6.706 -10.807 -14.682 1.00 49.82 H new ATOM 0 HG2 MET A 42 5.692 -10.281 -17.497 1.00 49.86 H new ATOM 0 HG3 MET A 42 7.366 -10.145 -16.998 1.00 49.86 H new ATOM 0 HE1 MET A 42 8.552 -13.702 -16.371 1.00 49.78 H new ATOM 0 HE2 MET A 42 8.794 -11.955 -16.131 1.00 49.78 H new ATOM 0 HE3 MET A 42 7.747 -12.870 -15.020 1.00 49.78 H new ATOM 531 N ILE A 43 3.748 -9.871 -13.007 1.00 49.53 N ATOM 532 CA ILE A 43 3.450 -9.779 -11.583 1.00 50.07 C ATOM 533 C ILE A 43 2.102 -10.412 -11.259 1.00 50.51 C ATOM 534 O ILE A 43 1.957 -11.106 -10.254 1.00 49.49 O ATOM 535 CB ILE A 43 3.449 -8.317 -11.099 1.00 49.91 C ATOM 536 CG1 ILE A 43 4.818 -7.675 -11.338 1.00 49.82 C ATOM 537 CG2 ILE A 43 3.074 -8.245 -9.626 1.00 49.73 C ATOM 538 CD1 ILE A 43 5.965 -8.429 -10.706 1.00 49.73 C ATOM 0 H ILE A 43 3.421 -9.077 -13.558 1.00 49.53 H new ATOM 0 HA ILE A 43 4.238 -10.324 -11.062 1.00 50.07 H new ATOM 0 HB ILE A 43 2.704 -7.763 -11.670 1.00 49.91 H new ATOM 0 HG12 ILE A 43 4.992 -7.601 -12.412 1.00 49.82 H new ATOM 0 HG13 ILE A 43 4.805 -6.658 -10.947 1.00 49.82 H new ATOM 0 HG21 ILE A 43 3.078 -7.205 -9.300 1.00 49.73 H new ATOM 0 HG22 ILE A 43 2.079 -8.666 -9.483 1.00 49.73 H new ATOM 0 HG23 ILE A 43 3.796 -8.812 -9.039 1.00 49.73 H new ATOM 0 HD11 ILE A 43 6.901 -7.913 -10.919 1.00 49.73 H new ATOM 0 HD12 ILE A 43 5.816 -8.480 -9.627 1.00 49.73 H new ATOM 0 HD13 ILE A 43 6.006 -9.439 -11.115 1.00 49.73 H new ATOM 550 N ILE A 44 1.118 -10.168 -12.119 1.00 49.53 N ATOM 551 CA ILE A 44 -0.217 -10.720 -11.931 1.00 50.07 C ATOM 552 C ILE A 44 -0.174 -12.238 -11.807 1.00 50.51 C ATOM 553 O ILE A 44 -0.898 -12.826 -11.004 1.00 49.49 O ATOM 554 CB ILE A 44 -1.156 -10.336 -13.088 1.00 49.91 C ATOM 555 CG1 ILE A 44 -1.430 -8.829 -13.076 1.00 49.82 C ATOM 556 CG2 ILE A 44 -2.458 -11.117 -13.000 1.00 49.73 C ATOM 557 CD1 ILE A 44 -2.091 -8.319 -14.336 1.00 49.73 C ATOM 0 H ILE A 44 1.221 -9.591 -12.954 1.00 49.53 H new ATOM 0 HA ILE A 44 -0.604 -10.294 -11.005 1.00 50.07 H new ATOM 0 HB ILE A 44 -0.667 -10.590 -14.029 1.00 49.91 H new ATOM 0 HG12 ILE A 44 -2.065 -8.591 -12.222 1.00 49.82 H new ATOM 0 HG13 ILE A 44 -0.489 -8.299 -12.931 1.00 49.82 H new ATOM 0 HG21 ILE A 44 -3.110 -10.832 -13.826 1.00 49.73 H new ATOM 0 HG22 ILE A 44 -2.246 -12.185 -13.056 1.00 49.73 H new ATOM 0 HG23 ILE A 44 -2.953 -10.894 -12.055 1.00 49.73 H new ATOM 0 HD11 ILE A 44 -2.253 -7.244 -14.253 1.00 49.73 H new ATOM 0 HD12 ILE A 44 -1.449 -8.524 -15.192 1.00 49.73 H new ATOM 0 HD13 ILE A 44 -3.049 -8.821 -14.473 1.00 49.73 H new ATOM 569 N ASN A 45 0.680 -12.867 -12.608 1.00 49.53 N ATOM 570 CA ASN A 45 0.775 -14.322 -12.635 1.00 50.07 C ATOM 571 C ASN A 45 1.276 -14.866 -11.302 1.00 50.51 C ATOM 572 O ASN A 45 1.009 -16.014 -10.949 1.00 49.49 O ATOM 573 CB ASN A 45 1.667 -14.800 -13.765 1.00 49.82 C ATOM 574 CG ASN A 45 1.045 -14.662 -15.127 1.00 50.55 C ATOM 575 OD1 ASN A 45 -0.181 -14.569 -15.265 1.00 49.45 O ATOM 576 ND2 ASN A 45 1.874 -14.731 -16.137 1.00 49.38 N ATOM 0 H ASN A 45 1.317 -12.391 -13.247 1.00 49.53 H new ATOM 0 HA ASN A 45 -0.230 -14.706 -12.810 1.00 50.07 H new ATOM 0 HB2 ASN A 45 2.600 -14.236 -13.743 1.00 49.82 H new ATOM 0 HB3 ASN A 45 1.922 -15.846 -13.596 1.00 49.82 H new ATOM 0 HD21 ASN A 45 1.517 -14.709 -17.092 1.00 49.38 H new ATOM 0 HD22 ASN A 45 2.877 -14.807 -15.969 1.00 49.38 H new ATOM 583 N ASP A 46 2.006 -14.034 -10.568 1.00 49.53 N ATOM 584 CA ASP A 46 2.579 -14.442 -9.290 1.00 50.07 C ATOM 585 C ASP A 46 1.711 -13.984 -8.125 1.00 50.51 C ATOM 586 O ASP A 46 1.704 -12.805 -7.769 1.00 49.49 O ATOM 587 CB ASP A 46 3.998 -13.888 -9.137 1.00 49.72 C ATOM 588 CG ASP A 46 4.729 -14.367 -7.891 1.00 50.62 C ATOM 589 OD1 ASP A 46 4.104 -14.977 -7.056 1.00 49.24 O ATOM 590 OD2 ASP A 46 5.932 -14.258 -7.853 1.00 49.24 O ATOM 0 H ASP A 46 2.215 -13.072 -10.836 1.00 49.53 H new ATOM 0 HA ASP A 46 2.620 -15.531 -9.277 1.00 50.07 H new ATOM 0 HB2 ASP A 46 4.581 -14.167 -10.015 1.00 49.72 H new ATOM 0 HB3 ASP A 46 3.950 -12.799 -9.119 1.00 49.72 H new ATOM 595 N PRO A 47 0.979 -14.922 -7.535 1.00 49.71 N ATOM 596 CA PRO A 47 0.052 -14.605 -6.455 1.00 50.02 C ATOM 597 C PRO A 47 0.762 -13.893 -5.311 1.00 50.51 C ATOM 598 O PRO A 47 0.147 -13.130 -4.565 1.00 49.49 O ATOM 599 CB PRO A 47 -0.509 -15.971 -6.027 1.00 49.82 C ATOM 600 CG PRO A 47 -0.404 -16.836 -7.254 1.00 49.82 C ATOM 601 CD PRO A 47 1.101 -16.369 -7.755 1.00 50.00 C ATOM 0 HA PRO A 47 -0.738 -13.921 -6.765 1.00 50.02 H new ATOM 0 HB2 PRO A 47 0.062 -16.390 -5.198 1.00 49.82 H new ATOM 0 HB3 PRO A 47 -1.542 -15.886 -5.691 1.00 49.82 H new ATOM 0 HG2 PRO A 47 -0.463 -17.901 -7.027 1.00 49.82 H new ATOM 0 HG3 PRO A 47 -1.180 -16.623 -7.989 1.00 49.82 H new ATOM 0 HD2 PRO A 47 1.899 -16.819 -7.165 1.00 50.00 H new ATOM 0 HD3 PRO A 47 1.295 -16.621 -8.798 1.00 50.00 H new ATOM 609 N ARG A 48 2.060 -14.146 -5.177 1.00 49.53 N ATOM 610 CA ARG A 48 2.850 -13.549 -4.108 1.00 50.07 C ATOM 611 C ARG A 48 2.730 -12.031 -4.116 1.00 50.51 C ATOM 612 O ARG A 48 2.781 -11.389 -3.066 1.00 49.49 O ATOM 613 CB ARG A 48 4.305 -13.992 -4.154 1.00 49.82 C ATOM 614 CG ARG A 48 5.110 -13.676 -2.904 1.00 49.82 C ATOM 615 CD ARG A 48 6.449 -14.317 -2.857 1.00 50.20 C ATOM 616 NE ARG A 48 7.416 -13.759 -3.790 1.00 49.30 N ATOM 617 CZ ARG A 48 8.516 -14.403 -4.226 1.00 50.64 C ATOM 618 NH1 ARG A 48 8.813 -15.607 -3.792 1.00 49.20 N ATOM 619 NH2 ARG A 48 9.304 -13.779 -5.086 1.00 49.20 N ATOM 0 H ARG A 48 2.587 -14.761 -5.797 1.00 49.53 H new ATOM 0 HA ARG A 48 2.439 -13.912 -3.166 1.00 50.07 H new ATOM 0 HB2 ARG A 48 4.337 -15.068 -4.327 1.00 49.82 H new ATOM 0 HB3 ARG A 48 4.787 -13.518 -5.009 1.00 49.82 H new ATOM 0 HG2 ARG A 48 5.235 -12.596 -2.831 1.00 49.82 H new ATOM 0 HG3 ARG A 48 4.539 -13.991 -2.030 1.00 49.82 H new ATOM 0 HD2 ARG A 48 6.845 -14.228 -1.846 1.00 50.20 H new ATOM 0 HD3 ARG A 48 6.336 -15.381 -3.063 1.00 50.20 H new ATOM 0 HE ARG A 48 7.250 -12.815 -4.138 1.00 49.30 H new ATOM 0 HH11 ARG A 48 8.207 -16.069 -3.114 1.00 49.20 H new ATOM 0 HH12 ARG A 48 9.650 -16.080 -4.133 1.00 49.20 H new ATOM 0 HH21 ARG A 48 9.071 -12.837 -5.400 1.00 49.20 H new ATOM 0 HH22 ARG A 48 10.144 -14.240 -5.435 1.00 49.20 H new ATOM 633 N TYR A 49 2.570 -11.460 -5.305 1.00 49.53 N ATOM 634 CA TYR A 49 2.488 -10.012 -5.455 1.00 50.07 C ATOM 635 C TYR A 49 1.095 -9.583 -5.899 1.00 50.51 C ATOM 636 O TYR A 49 0.943 -8.625 -6.658 1.00 49.49 O ATOM 637 CB TYR A 49 3.534 -9.519 -6.457 1.00 49.82 C ATOM 638 CG TYR A 49 4.955 -9.885 -6.090 1.00 50.00 C ATOM 639 CD1 TYR A 49 5.600 -9.258 -5.036 1.00 49.88 C ATOM 640 CD2 TYR A 49 5.646 -10.855 -6.801 1.00 49.88 C ATOM 641 CE1 TYR A 49 6.899 -9.588 -4.696 1.00 49.88 C ATOM 642 CE2 TYR A 49 6.944 -11.195 -6.470 1.00 49.88 C ATOM 643 CZ TYR A 49 7.568 -10.557 -5.415 1.00 50.11 C ATOM 644 OH TYR A 49 8.860 -10.889 -5.082 1.00 49.46 O ATOM 0 H TYR A 49 2.494 -11.979 -6.180 1.00 49.53 H new ATOM 0 HA TYR A 49 2.689 -9.563 -4.482 1.00 50.07 H new ATOM 0 HB2 TYR A 49 3.305 -9.932 -7.439 1.00 49.82 H new ATOM 0 HB3 TYR A 49 3.459 -8.435 -6.542 1.00 49.82 H new ATOM 0 HD1 TYR A 49 5.080 -8.499 -4.471 1.00 49.88 H new ATOM 0 HD2 TYR A 49 5.161 -11.353 -7.628 1.00 49.88 H new ATOM 0 HE1 TYR A 49 7.387 -9.090 -3.872 1.00 49.88 H new ATOM 0 HE2 TYR A 49 7.467 -11.954 -7.032 1.00 49.88 H new ATOM 0 HH TYR A 49 8.995 -10.753 -4.121 1.00 49.46 H new ATOM 654 N SER A 50 0.081 -10.296 -5.423 1.00 49.53 N ATOM 655 CA SER A 50 -1.303 -9.975 -5.750 1.00 50.07 C ATOM 656 C SER A 50 -1.630 -8.528 -5.400 1.00 50.51 C ATOM 657 O SER A 50 -2.466 -7.897 -6.046 1.00 49.49 O ATOM 658 CB SER A 50 -2.243 -10.918 -5.027 1.00 50.05 C ATOM 659 OG SER A 50 -2.183 -10.758 -3.636 1.00 49.34 O ATOM 0 H SER A 50 0.192 -11.102 -4.808 1.00 49.53 H new ATOM 0 HA SER A 50 -1.435 -10.098 -6.825 1.00 50.07 H new ATOM 0 HB2 SER A 50 -3.264 -10.744 -5.368 1.00 50.05 H new ATOM 0 HB3 SER A 50 -1.992 -11.947 -5.284 1.00 50.05 H new ATOM 0 HG SER A 50 -2.805 -11.383 -3.208 1.00 49.34 H new ATOM 665 N ALA A 51 -0.966 -8.009 -4.373 1.00 49.53 N ATOM 666 CA ALA A 51 -1.130 -6.614 -3.982 1.00 50.07 C ATOM 667 C ALA A 51 -0.680 -5.673 -5.092 1.00 50.51 C ATOM 668 O ALA A 51 -1.277 -4.618 -5.304 1.00 49.49 O ATOM 669 CB ALA A 51 -0.362 -6.330 -2.699 1.00 49.73 C ATOM 0 H ALA A 51 -0.309 -8.534 -3.796 1.00 49.53 H new ATOM 0 HA ALA A 51 -2.191 -6.437 -3.803 1.00 50.07 H new ATOM 0 HB1 ALA A 51 -0.494 -5.285 -2.420 1.00 49.73 H new ATOM 0 HB2 ALA A 51 -0.739 -6.969 -1.900 1.00 49.73 H new ATOM 0 HB3 ALA A 51 0.697 -6.532 -2.857 1.00 49.73 H new ATOM 675 N LEU A 52 0.374 -6.063 -5.800 1.00 49.53 N ATOM 676 CA LEU A 52 0.901 -5.259 -6.896 1.00 50.07 C ATOM 677 C LEU A 52 0.108 -5.486 -8.175 1.00 50.51 C ATOM 678 O LEU A 52 0.041 -4.610 -9.040 1.00 49.49 O ATOM 679 CB LEU A 52 2.384 -5.578 -7.122 1.00 49.82 C ATOM 680 CG LEU A 52 3.318 -5.203 -5.964 1.00 49.91 C ATOM 681 CD1 LEU A 52 4.721 -5.729 -6.233 1.00 49.73 C ATOM 682 CD2 LEU A 52 3.333 -3.691 -5.793 1.00 49.73 C ATOM 0 H LEU A 52 0.881 -6.932 -5.634 1.00 49.53 H new ATOM 0 HA LEU A 52 0.803 -4.208 -6.623 1.00 50.07 H new ATOM 0 HB2 LEU A 52 2.484 -6.646 -7.316 1.00 49.82 H new ATOM 0 HB3 LEU A 52 2.718 -5.058 -8.020 1.00 49.82 H new ATOM 0 HG LEU A 52 2.955 -5.657 -5.042 1.00 49.91 H new ATOM 0 HD11 LEU A 52 5.376 -5.458 -5.405 1.00 49.73 H new ATOM 0 HD12 LEU A 52 4.690 -6.814 -6.331 1.00 49.73 H new ATOM 0 HD13 LEU A 52 5.103 -5.292 -7.156 1.00 49.73 H new ATOM 0 HD21 LEU A 52 3.997 -3.424 -4.970 1.00 49.73 H new ATOM 0 HD22 LEU A 52 3.689 -3.224 -6.712 1.00 49.73 H new ATOM 0 HD23 LEU A 52 2.325 -3.340 -5.574 1.00 49.73 H new ATOM 694 N ALA A 53 -0.493 -6.664 -8.293 1.00 49.53 N ATOM 695 CA ALA A 53 -1.338 -6.984 -9.437 1.00 50.07 C ATOM 696 C ALA A 53 -2.507 -6.013 -9.546 1.00 50.51 C ATOM 697 O ALA A 53 -3.037 -5.783 -10.633 1.00 49.49 O ATOM 698 CB ALA A 53 -1.842 -8.417 -9.340 1.00 49.73 C ATOM 0 H ALA A 53 -0.410 -7.415 -7.608 1.00 49.53 H new ATOM 0 HA ALA A 53 -0.735 -6.886 -10.340 1.00 50.07 H new ATOM 0 HB1 ALA A 53 -2.471 -8.640 -10.201 1.00 49.73 H new ATOM 0 HB2 ALA A 53 -0.993 -9.101 -9.324 1.00 49.73 H new ATOM 0 HB3 ALA A 53 -2.423 -8.537 -8.425 1.00 49.73 H new ATOM 704 N LYS A 54 -2.906 -5.446 -8.413 1.00 49.53 N ATOM 705 CA LYS A 54 -4.026 -4.513 -8.376 1.00 50.07 C ATOM 706 C LYS A 54 -3.722 -3.254 -9.177 1.00 50.51 C ATOM 707 O LYS A 54 -4.631 -2.527 -9.577 1.00 49.49 O ATOM 708 CB LYS A 54 -4.369 -4.145 -6.931 1.00 49.82 C ATOM 709 CG LYS A 54 -4.890 -5.305 -6.093 1.00 49.82 C ATOM 710 CD LYS A 54 -5.144 -4.880 -4.655 1.00 49.82 C ATOM 711 CE LYS A 54 -5.669 -6.038 -3.818 1.00 50.21 C ATOM 712 NZ LYS A 54 -5.937 -5.631 -2.412 1.00 49.70 N ATOM 0 H LYS A 54 -2.470 -5.616 -7.507 1.00 49.53 H new ATOM 0 HA LYS A 54 -4.885 -5.007 -8.830 1.00 50.07 H new ATOM 0 HB2 LYS A 54 -3.479 -3.737 -6.452 1.00 49.82 H new ATOM 0 HB3 LYS A 54 -5.118 -3.353 -6.939 1.00 49.82 H new ATOM 0 HG2 LYS A 54 -5.813 -5.686 -6.530 1.00 49.82 H new ATOM 0 HG3 LYS A 54 -4.168 -6.122 -6.111 1.00 49.82 H new ATOM 0 HD2 LYS A 54 -4.220 -4.502 -4.217 1.00 49.82 H new ATOM 0 HD3 LYS A 54 -5.863 -4.061 -4.638 1.00 49.82 H new ATOM 0 HE2 LYS A 54 -6.586 -6.423 -4.265 1.00 50.21 H new ATOM 0 HE3 LYS A 54 -4.943 -6.851 -3.828 1.00 50.21 H new ATOM 0 HZ1 LYS A 54 -6.293 -6.448 -1.876 1.00 49.70 H new ATOM 0 HZ2 LYS A 54 -5.057 -5.288 -1.976 1.00 49.70 H new ATOM 0 HZ3 LYS A 54 -6.648 -4.872 -2.400 1.00 49.70 H new ATOM 726 N LEU A 55 -2.438 -3.003 -9.410 1.00 49.53 N ATOM 727 CA LEU A 55 -2.010 -1.821 -10.150 1.00 50.07 C ATOM 728 C LEU A 55 -2.502 -1.866 -11.590 1.00 50.51 C ATOM 729 O LEU A 55 -2.584 -0.837 -12.261 1.00 49.49 O ATOM 730 CB LEU A 55 -0.483 -1.695 -10.111 1.00 49.82 C ATOM 731 CG LEU A 55 0.112 -1.388 -8.730 1.00 49.91 C ATOM 732 CD1 LEU A 55 1.633 -1.424 -8.796 1.00 49.73 C ATOM 733 CD2 LEU A 55 -0.374 -0.025 -8.259 1.00 49.73 C ATOM 0 H LEU A 55 -1.675 -3.603 -9.097 1.00 49.53 H new ATOM 0 HA LEU A 55 -2.449 -0.945 -9.672 1.00 50.07 H new ATOM 0 HB2 LEU A 55 -0.048 -2.625 -10.478 1.00 49.82 H new ATOM 0 HB3 LEU A 55 -0.182 -0.908 -10.802 1.00 49.82 H new ATOM 0 HG LEU A 55 -0.216 -2.144 -8.017 1.00 49.91 H new ATOM 0 HD11 LEU A 55 2.045 -1.205 -7.811 1.00 49.73 H new ATOM 0 HD12 LEU A 55 1.960 -2.414 -9.114 1.00 49.73 H new ATOM 0 HD13 LEU A 55 1.984 -0.679 -9.510 1.00 49.73 H new ATOM 0 HD21 LEU A 55 0.049 0.193 -7.278 1.00 49.73 H new ATOM 0 HD22 LEU A 55 -0.057 0.739 -8.969 1.00 49.73 H new ATOM 0 HD23 LEU A 55 -1.462 -0.030 -8.192 1.00 49.73 H new ATOM 745 N SER A 56 -2.828 -3.064 -12.063 1.00 49.53 N ATOM 746 CA SER A 56 -3.355 -3.240 -13.411 1.00 50.07 C ATOM 747 C SER A 56 -4.711 -2.564 -13.564 1.00 50.51 C ATOM 748 O SER A 56 -5.140 -2.254 -14.675 1.00 49.49 O ATOM 749 CB SER A 56 -3.459 -4.716 -13.743 1.00 50.05 C ATOM 750 OG SER A 56 -4.467 -5.352 -13.007 1.00 49.34 O ATOM 0 H SER A 56 -2.736 -3.930 -11.531 1.00 49.53 H new ATOM 0 HA SER A 56 -2.665 -2.768 -14.110 1.00 50.07 H new ATOM 0 HB2 SER A 56 -3.659 -4.834 -14.808 1.00 50.05 H new ATOM 0 HB3 SER A 56 -2.503 -5.201 -13.542 1.00 50.05 H new ATOM 0 HG SER A 56 -4.122 -5.597 -12.123 1.00 49.34 H new ATOM 756 N GLU A 57 -5.385 -2.340 -12.440 1.00 49.53 N ATOM 757 CA GLU A 57 -6.669 -1.649 -12.442 1.00 50.07 C ATOM 758 C GLU A 57 -6.524 -0.214 -11.953 1.00 50.51 C ATOM 759 O GLU A 57 -7.226 0.684 -12.416 1.00 49.49 O ATOM 760 CB GLU A 57 -7.682 -2.400 -11.574 1.00 49.82 C ATOM 761 CG GLU A 57 -8.016 -3.801 -12.067 1.00 49.72 C ATOM 762 CD GLU A 57 -8.971 -4.494 -11.136 1.00 50.62 C ATOM 763 OE1 GLU A 57 -9.332 -3.910 -10.142 1.00 49.24 O ATOM 764 OE2 GLU A 57 -9.430 -5.560 -11.474 1.00 49.24 O ATOM 0 H GLU A 57 -5.063 -2.627 -11.516 1.00 49.53 H new ATOM 0 HA GLU A 57 -7.032 -1.623 -13.470 1.00 50.07 H new ATOM 0 HB2 GLU A 57 -7.292 -2.469 -10.559 1.00 49.82 H new ATOM 0 HB3 GLU A 57 -8.602 -1.817 -11.523 1.00 49.82 H new ATOM 0 HG2 GLU A 57 -8.454 -3.743 -13.064 1.00 49.72 H new ATOM 0 HG3 GLU A 57 -7.101 -4.386 -12.154 1.00 49.72 H new ATOM 771 N LYS A 58 -5.607 -0.005 -11.014 1.00 49.53 N ATOM 772 CA LYS A 58 -5.353 1.326 -10.475 1.00 50.07 C ATOM 773 C LYS A 58 -4.690 2.223 -11.512 1.00 50.51 C ATOM 774 O LYS A 58 -4.773 3.449 -11.431 1.00 49.49 O ATOM 775 CB LYS A 58 -4.481 1.239 -9.221 1.00 49.82 C ATOM 776 CG LYS A 58 -5.148 0.549 -8.038 1.00 49.82 C ATOM 777 CD LYS A 58 -4.208 0.466 -6.844 1.00 49.82 C ATOM 778 CE LYS A 58 -4.877 -0.210 -5.657 1.00 50.21 C ATOM 779 NZ LYS A 58 -3.986 -0.256 -4.467 1.00 49.70 N ATOM 0 H LYS A 58 -5.027 -0.741 -10.610 1.00 49.53 H new ATOM 0 HA LYS A 58 -6.314 1.766 -10.208 1.00 50.07 H new ATOM 0 HB2 LYS A 58 -3.563 0.705 -9.468 1.00 49.82 H new ATOM 0 HB3 LYS A 58 -4.193 2.247 -8.923 1.00 49.82 H new ATOM 0 HG2 LYS A 58 -6.049 1.094 -7.757 1.00 49.82 H new ATOM 0 HG3 LYS A 58 -5.460 -0.454 -8.328 1.00 49.82 H new ATOM 0 HD2 LYS A 58 -3.312 -0.088 -7.123 1.00 49.82 H new ATOM 0 HD3 LYS A 58 -3.888 1.469 -6.561 1.00 49.82 H new ATOM 0 HE2 LYS A 58 -5.793 0.325 -5.404 1.00 50.21 H new ATOM 0 HE3 LYS A 58 -5.166 -1.224 -5.933 1.00 50.21 H new ATOM 0 HZ1 LYS A 58 -4.480 -0.724 -3.681 1.00 49.70 H new ATOM 0 HZ2 LYS A 58 -3.123 -0.788 -4.700 1.00 49.70 H new ATOM 0 HZ3 LYS A 58 -3.730 0.712 -4.187 1.00 49.70 H new ATOM 793 N LYS A 59 -4.032 1.606 -12.488 1.00 49.53 N ATOM 794 CA LYS A 59 -3.360 2.347 -13.547 1.00 50.07 C ATOM 795 C LYS A 59 -3.609 1.710 -14.908 1.00 50.51 C ATOM 796 O LYS A 59 -3.122 2.195 -15.930 1.00 49.49 O ATOM 797 CB LYS A 59 -1.858 2.432 -13.274 1.00 49.82 C ATOM 798 CG LYS A 59 -1.066 3.188 -14.332 1.00 49.82 C ATOM 799 CD LYS A 59 0.400 3.310 -13.945 1.00 49.82 C ATOM 800 CE LYS A 59 1.180 4.117 -14.972 1.00 50.21 C ATOM 801 NZ LYS A 59 2.623 4.215 -14.625 1.00 49.70 N ATOM 0 H LYS A 59 -3.950 0.592 -12.567 1.00 49.53 H new ATOM 0 HA LYS A 59 -3.774 3.355 -13.561 1.00 50.07 H new ATOM 0 HB2 LYS A 59 -1.704 2.915 -12.309 1.00 49.82 H new ATOM 0 HB3 LYS A 59 -1.459 1.421 -13.192 1.00 49.82 H new ATOM 0 HG2 LYS A 59 -1.150 2.673 -15.289 1.00 49.82 H new ATOM 0 HG3 LYS A 59 -1.492 4.182 -14.467 1.00 49.82 H new ATOM 0 HD2 LYS A 59 0.481 3.786 -12.968 1.00 49.82 H new ATOM 0 HD3 LYS A 59 0.837 2.316 -13.853 1.00 49.82 H new ATOM 0 HE2 LYS A 59 1.074 3.654 -15.953 1.00 50.21 H new ATOM 0 HE3 LYS A 59 0.756 5.118 -15.044 1.00 50.21 H new ATOM 0 HZ1 LYS A 59 3.117 4.773 -15.350 1.00 49.70 H new ATOM 0 HZ2 LYS A 59 2.727 4.680 -13.700 1.00 49.70 H new ATOM 0 HZ3 LYS A 59 3.035 3.261 -14.581 1.00 49.70 H new TER 815 LYS A 59