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 K(o=0,f=-0.92) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0362 X(o=-0.036,f=-0.24) 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+ 176:sc= 0.858 (180deg=0.844) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0173 X(o=-0.017,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.136 USER MOD Single : A 38 GLN : amide:sc= -0.0415 X(o=-0.042,f=-0.21) USER MOD Single : A 40 MET CE :methyl 168:sc= -0.248 (180deg=-0.55) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -155:sc= -0.0714 (180deg=-0.862) USER MOD Single : A 45 ASN : amide:sc= -0.0162 K(o=-0.016,f=-1.3) USER MOD Single : A 49 TYR OH : rot 30:sc= -0.26 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 -53:sc= 0.673 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 -2.148 0.447 -0.530 1.00 49.53 N ATOM 2 CA TRP A 11 -0.930 1.247 -0.542 1.00 50.07 C ATOM 3 C TRP A 11 -1.196 2.662 -0.047 1.00 50.51 C ATOM 4 O TRP A 11 -2.123 3.328 -0.508 1.00 49.49 O ATOM 5 CB TRP A 11 -0.332 1.287 -1.950 1.00 49.82 C ATOM 6 CG TRP A 11 -0.181 -0.067 -2.575 1.00 49.97 C ATOM 7 CD1 TRP A 11 -1.108 -0.725 -3.326 1.00 50.03 C ATOM 8 CD2 TRP A 11 0.963 -0.925 -2.504 1.00 49.98 C ATOM 9 NE1 TRP A 11 -0.615 -1.942 -3.727 1.00 49.39 N ATOM 10 CE2 TRP A 11 0.658 -2.087 -3.234 1.00 50.13 C ATOM 11 CE3 TRP A 11 2.218 -0.824 -1.891 1.00 49.88 C ATOM 12 CZ2 TRP A 11 1.554 -3.137 -3.370 1.00 49.88 C ATOM 13 CZ3 TRP A 11 3.116 -1.875 -2.029 1.00 49.88 C ATOM 14 CH2 TRP A 11 2.794 -2.998 -2.746 1.00 49.88 C ATOM 0 HA TRP A 11 -0.215 0.778 0.135 1.00 50.07 H new ATOM 0 HB2 TRP A 11 -0.965 1.904 -2.588 1.00 49.82 H new ATOM 0 HB3 TRP A 11 0.644 1.770 -1.908 1.00 49.82 H new ATOM 0 HD1 TRP A 11 -2.089 -0.344 -3.570 1.00 50.03 H new ATOM 0 HE1 TRP A 11 -1.113 -2.626 -4.297 1.00 49.39 H new ATOM 0 HE3 TRP A 11 2.483 0.055 -1.322 1.00 49.88 H new ATOM 0 HZ2 TRP A 11 1.303 -4.023 -3.934 1.00 49.88 H new ATOM 0 HZ3 TRP A 11 4.087 -1.806 -1.562 1.00 49.88 H new ATOM 0 HH2 TRP A 11 3.518 -3.795 -2.830 1.00 49.88 H new ATOM 25 N ASN A 12 -0.376 3.118 0.895 1.00 49.53 N ATOM 26 CA ASN A 12 -0.535 4.448 1.470 1.00 50.07 C ATOM 27 C ASN A 12 0.247 5.488 0.679 1.00 50.51 C ATOM 28 O ASN A 12 -0.130 6.659 0.633 1.00 49.49 O ATOM 29 CB ASN A 12 -0.116 4.476 2.929 1.00 49.82 C ATOM 30 CG ASN A 12 -1.008 3.667 3.830 1.00 50.55 C ATOM 31 OD1 ASN A 12 -2.188 3.449 3.536 1.00 49.45 O ATOM 32 ND2 ASN A 12 -0.473 3.291 4.964 1.00 49.38 N ATOM 0 H ASN A 12 0.406 2.585 1.276 1.00 49.53 H new ATOM 0 HA ASN A 12 -1.595 4.697 1.414 1.00 50.07 H new ATOM 0 HB2 ASN A 12 0.905 4.102 3.012 1.00 49.82 H new ATOM 0 HB3 ASN A 12 -0.106 5.510 3.275 1.00 49.82 H new ATOM 0 HD21 ASN A 12 -1.036 2.793 5.653 1.00 49.38 H new ATOM 0 HD22 ASN A 12 0.507 3.496 5.158 1.00 49.38 H new ATOM 39 N THR A 13 1.337 5.053 0.056 1.00 49.53 N ATOM 40 CA THR A 13 2.179 5.947 -0.730 1.00 50.07 C ATOM 41 C THR A 13 2.379 5.416 -2.143 1.00 50.51 C ATOM 42 O THR A 13 2.879 4.308 -2.335 1.00 49.49 O ATOM 43 CB THR A 13 3.556 6.152 -0.070 1.00 50.14 C ATOM 44 OG1 THR A 13 3.381 6.670 1.255 1.00 49.34 O ATOM 45 CG2 THR A 13 4.397 7.124 -0.883 1.00 49.73 C ATOM 0 H THR A 13 1.658 4.085 0.080 1.00 49.53 H new ATOM 0 HA THR A 13 1.661 6.905 -0.776 1.00 50.07 H new ATOM 0 HB THR A 13 4.069 5.191 -0.027 1.00 50.14 H new ATOM 0 HG1 THR A 13 4.257 6.798 1.674 1.00 49.34 H new ATOM 0 HG21 THR A 13 5.366 7.257 -0.402 1.00 49.73 H new ATOM 0 HG22 THR A 13 4.542 6.727 -1.888 1.00 49.73 H new ATOM 0 HG23 THR A 13 3.887 8.085 -0.942 1.00 49.73 H new ATOM 53 N LYS A 14 1.984 6.213 -3.130 1.00 49.53 N ATOM 54 CA LYS A 14 2.083 5.808 -4.528 1.00 50.07 C ATOM 55 C LYS A 14 3.533 5.584 -4.935 1.00 50.51 C ATOM 56 O LYS A 14 3.835 4.690 -5.726 1.00 49.49 O ATOM 57 CB LYS A 14 1.437 6.856 -5.435 1.00 49.82 C ATOM 58 CG LYS A 14 -0.080 6.929 -5.331 1.00 49.82 C ATOM 59 CD LYS A 14 -0.648 7.992 -6.262 1.00 49.82 C ATOM 60 CE LYS A 14 -2.163 8.079 -6.145 1.00 50.21 C ATOM 61 NZ LYS A 14 -2.728 9.134 -7.027 1.00 49.70 N ATOM 0 H LYS A 14 1.592 7.144 -2.988 1.00 49.53 H new ATOM 0 HA LYS A 14 1.549 4.865 -4.641 1.00 50.07 H new ATOM 0 HB2 LYS A 14 1.853 7.834 -5.193 1.00 49.82 H new ATOM 0 HB3 LYS A 14 1.708 6.641 -6.469 1.00 49.82 H new ATOM 0 HG2 LYS A 14 -0.511 5.959 -5.578 1.00 49.82 H new ATOM 0 HG3 LYS A 14 -0.366 7.152 -4.303 1.00 49.82 H new ATOM 0 HD2 LYS A 14 -0.207 8.960 -6.024 1.00 49.82 H new ATOM 0 HD3 LYS A 14 -0.373 7.761 -7.291 1.00 49.82 H new ATOM 0 HE2 LYS A 14 -2.603 7.116 -6.404 1.00 50.21 H new ATOM 0 HE3 LYS A 14 -2.436 8.286 -5.110 1.00 50.21 H new ATOM 0 HZ1 LYS A 14 -3.762 9.161 -6.918 1.00 49.70 H new ATOM 0 HZ2 LYS A 14 -2.328 10.057 -6.764 1.00 49.70 H new ATOM 0 HZ3 LYS A 14 -2.490 8.923 -8.017 1.00 49.70 H new ATOM 75 N GLU A 15 4.429 6.400 -4.390 1.00 49.53 N ATOM 76 CA GLU A 15 5.851 6.284 -4.686 1.00 50.07 C ATOM 77 C GLU A 15 6.404 4.946 -4.212 1.00 50.51 C ATOM 78 O GLU A 15 7.178 4.299 -4.917 1.00 49.49 O ATOM 79 CB GLU A 15 6.628 7.433 -4.040 1.00 49.82 C ATOM 80 CG GLU A 15 6.377 8.795 -4.670 1.00 49.72 C ATOM 81 CD GLU A 15 7.066 9.889 -3.901 1.00 50.62 C ATOM 82 OE1 GLU A 15 7.646 9.598 -2.882 1.00 49.24 O ATOM 83 OE2 GLU A 15 7.109 10.993 -4.389 1.00 49.24 O ATOM 0 H GLU A 15 4.194 7.150 -3.740 1.00 49.53 H new ATOM 0 HA GLU A 15 5.972 6.339 -5.768 1.00 50.07 H new ATOM 0 HB2 GLU A 15 6.368 7.482 -2.983 1.00 49.82 H new ATOM 0 HB3 GLU A 15 7.694 7.211 -4.096 1.00 49.82 H new ATOM 0 HG2 GLU A 15 6.733 8.792 -5.700 1.00 49.72 H new ATOM 0 HG3 GLU A 15 5.305 8.991 -4.703 1.00 49.72 H new ATOM 90 N GLU A 16 6.003 4.537 -3.014 1.00 49.53 N ATOM 91 CA GLU A 16 6.433 3.260 -2.456 1.00 50.07 C ATOM 92 C GLU A 16 5.815 2.092 -3.215 1.00 50.51 C ATOM 93 O GLU A 16 6.453 1.056 -3.406 1.00 49.49 O ATOM 94 CB GLU A 16 6.070 3.174 -0.972 1.00 49.82 C ATOM 95 CG GLU A 16 6.864 4.113 -0.076 1.00 49.72 C ATOM 96 CD GLU A 16 6.384 4.046 1.348 1.00 50.62 C ATOM 97 OE1 GLU A 16 5.433 3.345 1.602 1.00 49.24 O ATOM 98 OE2 GLU A 16 7.034 4.604 2.200 1.00 49.24 O ATOM 0 H GLU A 16 5.380 5.072 -2.409 1.00 49.53 H new ATOM 0 HA GLU A 16 7.516 3.199 -2.559 1.00 50.07 H new ATOM 0 HB2 GLU A 16 5.008 3.392 -0.857 1.00 49.82 H new ATOM 0 HB3 GLU A 16 6.224 2.150 -0.632 1.00 49.82 H new ATOM 0 HG2 GLU A 16 7.921 3.852 -0.118 1.00 49.72 H new ATOM 0 HG3 GLU A 16 6.773 5.135 -0.445 1.00 49.72 H new ATOM 105 N ALA A 17 4.570 2.265 -3.645 1.00 49.53 N ATOM 106 CA ALA A 17 3.883 1.247 -4.431 1.00 50.07 C ATOM 107 C ALA A 17 4.603 0.989 -5.749 1.00 50.51 C ATOM 108 O ALA A 17 4.804 -0.160 -6.143 1.00 49.49 O ATOM 109 CB ALA A 17 2.439 1.657 -4.683 1.00 49.73 C ATOM 0 H ALA A 17 4.016 3.101 -3.462 1.00 49.53 H new ATOM 0 HA ALA A 17 3.889 0.319 -3.860 1.00 50.07 H new ATOM 0 HB1 ALA A 17 1.939 0.887 -5.271 1.00 49.73 H new ATOM 0 HB2 ALA A 17 1.923 1.778 -3.730 1.00 49.73 H new ATOM 0 HB3 ALA A 17 2.419 2.600 -5.229 1.00 49.73 H new ATOM 115 N LYS A 18 4.988 2.065 -6.426 1.00 49.53 N ATOM 116 CA LYS A 18 5.695 1.957 -7.698 1.00 50.07 C ATOM 117 C LYS A 18 7.073 1.335 -7.511 1.00 50.51 C ATOM 118 O LYS A 18 7.520 0.535 -8.333 1.00 49.49 O ATOM 119 CB LYS A 18 5.822 3.331 -8.358 1.00 49.82 C ATOM 120 CG LYS A 18 4.511 3.898 -8.887 1.00 49.82 C ATOM 121 CD LYS A 18 4.711 5.280 -9.490 1.00 49.82 C ATOM 122 CE LYS A 18 3.393 5.871 -9.970 1.00 50.21 C ATOM 123 NZ LYS A 18 3.571 7.229 -10.553 1.00 49.70 N ATOM 0 H LYS A 18 4.823 3.022 -6.116 1.00 49.53 H new ATOM 0 HA LYS A 18 5.113 1.305 -8.349 1.00 50.07 H new ATOM 0 HB2 LYS A 18 6.241 4.031 -7.635 1.00 49.82 H new ATOM 0 HB3 LYS A 18 6.532 3.261 -9.182 1.00 49.82 H new ATOM 0 HG2 LYS A 18 4.099 3.226 -9.640 1.00 49.82 H new ATOM 0 HG3 LYS A 18 3.783 3.954 -8.077 1.00 49.82 H new ATOM 0 HD2 LYS A 18 5.160 5.941 -8.748 1.00 49.82 H new ATOM 0 HD3 LYS A 18 5.409 5.217 -10.325 1.00 49.82 H new ATOM 0 HE2 LYS A 18 2.950 5.211 -10.716 1.00 50.21 H new ATOM 0 HE3 LYS A 18 2.694 5.923 -9.136 1.00 50.21 H new ATOM 0 HZ1 LYS A 18 2.650 7.595 -10.867 1.00 49.70 H new ATOM 0 HZ2 LYS A 18 3.970 7.866 -9.834 1.00 49.70 H new ATOM 0 HZ3 LYS A 18 4.218 7.176 -11.366 1.00 49.70 H new ATOM 137 N GLN A 19 7.743 1.710 -6.427 1.00 49.53 N ATOM 138 CA GLN A 19 9.042 1.137 -6.094 1.00 50.07 C ATOM 139 C GLN A 19 8.940 -0.366 -5.872 1.00 50.51 C ATOM 140 O GLN A 19 9.774 -1.133 -6.355 1.00 49.49 O ATOM 141 CB GLN A 19 9.617 1.806 -4.842 1.00 49.82 C ATOM 142 CG GLN A 19 10.997 1.308 -4.449 1.00 49.82 C ATOM 143 CD GLN A 19 12.045 1.615 -5.504 1.00 50.55 C ATOM 144 OE1 GLN A 19 12.091 2.721 -6.049 1.00 49.45 O ATOM 145 NE2 GLN A 19 12.890 0.634 -5.801 1.00 49.38 N ATOM 0 H GLN A 19 7.408 2.409 -5.764 1.00 49.53 H new ATOM 0 HA GLN A 19 9.710 1.317 -6.937 1.00 50.07 H new ATOM 0 HB2 GLN A 19 9.665 2.882 -5.008 1.00 49.82 H new ATOM 0 HB3 GLN A 19 8.933 1.642 -4.009 1.00 49.82 H new ATOM 0 HG2 GLN A 19 11.291 1.767 -3.505 1.00 49.82 H new ATOM 0 HG3 GLN A 19 10.958 0.232 -4.282 1.00 49.82 H new ATOM 0 HE21 GLN A 19 12.815 -0.265 -5.325 1.00 49.38 H new ATOM 0 HE22 GLN A 19 13.614 0.780 -6.505 1.00 49.38 H new ATOM 154 N ALA A 20 7.913 -0.784 -5.139 1.00 49.53 N ATOM 155 CA ALA A 20 7.677 -2.200 -4.889 1.00 50.07 C ATOM 156 C ALA A 20 7.412 -2.953 -6.186 1.00 50.51 C ATOM 157 O ALA A 20 7.862 -4.086 -6.361 1.00 49.49 O ATOM 158 CB ALA A 20 6.515 -2.380 -3.921 1.00 49.73 C ATOM 0 H ALA A 20 7.231 -0.161 -4.708 1.00 49.53 H new ATOM 0 HA ALA A 20 8.578 -2.617 -4.439 1.00 50.07 H new ATOM 0 HB1 ALA A 20 6.350 -3.443 -3.744 1.00 49.73 H new ATOM 0 HB2 ALA A 20 6.748 -1.887 -2.977 1.00 49.73 H new ATOM 0 HB3 ALA A 20 5.614 -1.940 -4.348 1.00 49.73 H new ATOM 164 N PHE A 21 6.679 -2.318 -7.094 1.00 49.53 N ATOM 165 CA PHE A 21 6.401 -2.903 -8.401 1.00 50.07 C ATOM 166 C PHE A 21 7.687 -3.157 -9.175 1.00 50.51 C ATOM 167 O PHE A 21 7.878 -4.231 -9.746 1.00 49.49 O ATOM 168 CB PHE A 21 5.472 -1.994 -9.206 1.00 49.82 C ATOM 169 CG PHE A 21 5.037 -2.581 -10.519 1.00 50.00 C ATOM 170 CD1 PHE A 21 4.056 -3.560 -10.565 1.00 49.88 C ATOM 171 CD2 PHE A 21 5.608 -2.157 -11.709 1.00 49.88 C ATOM 172 CE1 PHE A 21 3.656 -4.102 -11.772 1.00 49.88 C ATOM 173 CE2 PHE A 21 5.209 -2.696 -12.917 1.00 49.88 C ATOM 174 CZ PHE A 21 4.231 -3.670 -12.947 1.00 49.88 C ATOM 0 H PHE A 21 6.266 -1.397 -6.949 1.00 49.53 H new ATOM 0 HA PHE A 21 5.907 -3.861 -8.240 1.00 50.07 H new ATOM 0 HB2 PHE A 21 4.588 -1.772 -8.608 1.00 49.82 H new ATOM 0 HB3 PHE A 21 5.978 -1.047 -9.392 1.00 49.82 H new ATOM 0 HD1 PHE A 21 3.600 -3.903 -9.648 1.00 49.88 H new ATOM 0 HD2 PHE A 21 6.374 -1.396 -11.692 1.00 49.88 H new ATOM 0 HE1 PHE A 21 2.892 -4.865 -11.794 1.00 49.88 H new ATOM 0 HE2 PHE A 21 5.662 -2.356 -13.837 1.00 49.88 H new ATOM 0 HZ PHE A 21 3.917 -4.093 -13.890 1.00 49.88 H new ATOM 184 N LYS A 22 8.568 -2.162 -9.192 1.00 49.53 N ATOM 185 CA LYS A 22 9.846 -2.282 -9.886 1.00 50.07 C ATOM 186 C LYS A 22 10.706 -3.377 -9.270 1.00 50.51 C ATOM 187 O LYS A 22 11.402 -4.105 -9.978 1.00 49.49 O ATOM 188 CB LYS A 22 10.595 -0.949 -9.862 1.00 49.82 C ATOM 189 CG LYS A 22 9.955 0.147 -10.705 1.00 49.82 C ATOM 190 CD LYS A 22 10.735 1.449 -10.604 1.00 49.82 C ATOM 191 CE LYS A 22 10.066 2.560 -11.400 1.00 50.21 C ATOM 192 NZ LYS A 22 10.806 3.846 -11.292 1.00 49.70 N ATOM 0 H LYS A 22 8.421 -1.263 -8.733 1.00 49.53 H new ATOM 0 HA LYS A 22 9.639 -2.553 -10.921 1.00 50.07 H new ATOM 0 HB2 LYS A 22 10.664 -0.604 -8.831 1.00 49.82 H new ATOM 0 HB3 LYS A 22 11.614 -1.112 -10.213 1.00 49.82 H new ATOM 0 HG2 LYS A 22 9.909 -0.172 -11.746 1.00 49.82 H new ATOM 0 HG3 LYS A 22 8.929 0.309 -10.376 1.00 49.82 H new ATOM 0 HD2 LYS A 22 10.816 1.746 -9.558 1.00 49.82 H new ATOM 0 HD3 LYS A 22 11.750 1.296 -10.971 1.00 49.82 H new ATOM 0 HE2 LYS A 22 10.000 2.266 -12.448 1.00 50.21 H new ATOM 0 HE3 LYS A 22 9.045 2.698 -11.043 1.00 50.21 H new ATOM 0 HZ1 LYS A 22 10.317 4.576 -11.849 1.00 49.70 H new ATOM 0 HZ2 LYS A 22 10.847 4.140 -10.295 1.00 49.70 H new ATOM 0 HZ3 LYS A 22 11.772 3.722 -11.656 1.00 49.70 H new ATOM 206 N GLU A 23 10.656 -3.489 -7.946 1.00 49.53 N ATOM 207 CA GLU A 23 11.387 -4.532 -7.237 1.00 50.07 C ATOM 208 C GLU A 23 10.861 -5.915 -7.595 1.00 50.51 C ATOM 209 O GLU A 23 11.634 -6.849 -7.805 1.00 49.49 O ATOM 210 CB GLU A 23 11.303 -4.312 -5.726 1.00 49.82 C ATOM 211 CG GLU A 23 12.115 -3.130 -5.216 1.00 49.72 C ATOM 212 CD GLU A 23 11.814 -2.843 -3.771 1.00 50.62 C ATOM 213 OE1 GLU A 23 10.958 -3.494 -3.222 1.00 49.24 O ATOM 214 OE2 GLU A 23 12.515 -2.053 -3.184 1.00 49.24 O ATOM 0 H GLU A 23 10.116 -2.869 -7.342 1.00 49.53 H new ATOM 0 HA GLU A 23 12.431 -4.475 -7.545 1.00 50.07 H new ATOM 0 HB2 GLU A 23 10.259 -4.166 -5.450 1.00 49.82 H new ATOM 0 HB3 GLU A 23 11.643 -5.216 -5.220 1.00 49.82 H new ATOM 0 HG2 GLU A 23 13.178 -3.339 -5.334 1.00 49.72 H new ATOM 0 HG3 GLU A 23 11.895 -2.248 -5.818 1.00 49.72 H new ATOM 221 N ALA A 24 9.539 -6.040 -7.665 1.00 49.53 N ATOM 222 CA ALA A 24 8.908 -7.296 -8.050 1.00 50.07 C ATOM 223 C ALA A 24 9.262 -7.674 -9.483 1.00 50.51 C ATOM 224 O ALA A 24 9.441 -8.851 -9.798 1.00 49.49 O ATOM 225 CB ALA A 24 7.398 -7.204 -7.880 1.00 49.73 C ATOM 0 H ALA A 24 8.884 -5.285 -7.460 1.00 49.53 H new ATOM 0 HA ALA A 24 9.287 -8.079 -7.394 1.00 50.07 H new ATOM 0 HB1 ALA A 24 6.941 -8.150 -8.171 1.00 49.73 H new ATOM 0 HB2 ALA A 24 7.161 -6.993 -6.837 1.00 49.73 H new ATOM 0 HB3 ALA A 24 7.009 -6.404 -8.510 1.00 49.73 H new ATOM 231 N LEU A 25 9.361 -6.670 -10.347 1.00 49.53 N ATOM 232 CA LEU A 25 9.790 -6.884 -11.723 1.00 50.07 C ATOM 233 C LEU A 25 11.164 -7.539 -11.777 1.00 50.51 C ATOM 234 O LEU A 25 11.391 -8.465 -12.555 1.00 49.49 O ATOM 235 CB LEU A 25 9.803 -5.554 -12.487 1.00 49.82 C ATOM 236 CG LEU A 25 8.577 -5.298 -13.373 1.00 49.91 C ATOM 237 CD1 LEU A 25 7.328 -5.864 -12.713 1.00 49.73 C ATOM 238 CD2 LEU A 25 8.428 -3.803 -13.615 1.00 49.73 C ATOM 0 H LEU A 25 9.150 -5.699 -10.118 1.00 49.53 H new ATOM 0 HA LEU A 25 9.078 -7.559 -12.198 1.00 50.07 H new ATOM 0 HB2 LEU A 25 9.887 -4.740 -11.767 1.00 49.82 H new ATOM 0 HB3 LEU A 25 10.696 -5.521 -13.111 1.00 49.82 H new ATOM 0 HG LEU A 25 8.712 -5.797 -14.332 1.00 49.91 H new ATOM 0 HD11 LEU A 25 6.463 -5.677 -13.350 1.00 49.73 H new ATOM 0 HD12 LEU A 25 7.447 -6.938 -12.569 1.00 49.73 H new ATOM 0 HD13 LEU A 25 7.177 -5.383 -11.747 1.00 49.73 H new ATOM 0 HD21 LEU A 25 7.557 -3.621 -14.245 1.00 49.73 H new ATOM 0 HD22 LEU A 25 8.300 -3.291 -12.661 1.00 49.73 H new ATOM 0 HD23 LEU A 25 9.321 -3.424 -14.113 1.00 49.73 H new ATOM 250 N LYS A 26 12.078 -7.052 -10.945 1.00 49.53 N ATOM 251 CA LYS A 26 13.404 -7.649 -10.829 1.00 50.07 C ATOM 252 C LYS A 26 13.322 -9.074 -10.297 1.00 50.51 C ATOM 253 O LYS A 26 14.052 -9.957 -10.746 1.00 49.49 O ATOM 254 CB LYS A 26 14.297 -6.799 -9.923 1.00 49.82 C ATOM 255 CG LYS A 26 14.677 -5.445 -10.507 1.00 49.82 C ATOM 256 CD LYS A 26 15.532 -4.645 -9.535 1.00 49.82 C ATOM 257 CE LYS A 26 15.874 -3.273 -10.099 1.00 50.21 C ATOM 258 NZ LYS A 26 16.687 -2.467 -9.147 1.00 49.70 N ATOM 0 H LYS A 26 11.925 -6.245 -10.340 1.00 49.53 H new ATOM 0 HA LYS A 26 13.843 -7.683 -11.826 1.00 50.07 H new ATOM 0 HB2 LYS A 26 13.785 -6.641 -8.974 1.00 49.82 H new ATOM 0 HB3 LYS A 26 15.208 -7.356 -9.705 1.00 49.82 H new ATOM 0 HG2 LYS A 26 15.221 -5.589 -11.440 1.00 49.82 H new ATOM 0 HG3 LYS A 26 13.774 -4.884 -10.748 1.00 49.82 H new ATOM 0 HD2 LYS A 26 15.001 -4.530 -8.590 1.00 49.82 H new ATOM 0 HD3 LYS A 26 16.450 -5.192 -9.320 1.00 49.82 H new ATOM 0 HE2 LYS A 26 16.422 -3.391 -11.034 1.00 50.21 H new ATOM 0 HE3 LYS A 26 14.954 -2.738 -10.334 1.00 50.21 H new ATOM 0 HZ1 LYS A 26 16.898 -1.540 -9.569 1.00 49.70 H new ATOM 0 HZ2 LYS A 26 16.155 -2.332 -8.264 1.00 49.70 H new ATOM 0 HZ3 LYS A 26 17.577 -2.965 -8.942 1.00 49.70 H new ATOM 272 N GLU A 27 12.431 -9.291 -9.335 1.00 49.53 N ATOM 273 CA GLU A 27 12.227 -10.616 -8.763 1.00 50.07 C ATOM 274 C GLU A 27 11.695 -11.591 -9.806 1.00 50.51 C ATOM 275 O GLU A 27 11.958 -12.791 -9.740 1.00 49.49 O ATOM 276 CB GLU A 27 11.270 -10.545 -7.572 1.00 49.82 C ATOM 277 CG GLU A 27 11.048 -11.873 -6.863 1.00 49.72 C ATOM 278 CD GLU A 27 12.300 -12.338 -6.171 1.00 50.62 C ATOM 279 OE1 GLU A 27 13.253 -11.598 -6.149 1.00 49.24 O ATOM 280 OE2 GLU A 27 12.268 -13.384 -5.569 1.00 49.24 O ATOM 0 H GLU A 27 11.838 -8.564 -8.935 1.00 49.53 H new ATOM 0 HA GLU A 27 13.194 -10.982 -8.417 1.00 50.07 H new ATOM 0 HB2 GLU A 27 11.658 -9.824 -6.853 1.00 49.82 H new ATOM 0 HB3 GLU A 27 10.308 -10.166 -7.917 1.00 49.82 H new ATOM 0 HG2 GLU A 27 10.244 -11.769 -6.134 1.00 49.72 H new ATOM 0 HG3 GLU A 27 10.728 -12.624 -7.585 1.00 49.72 H new ATOM 287 N LYS A 28 10.945 -11.066 -10.769 1.00 49.53 N ATOM 288 CA LYS A 28 10.344 -11.894 -11.809 1.00 50.07 C ATOM 289 C LYS A 28 11.201 -11.904 -13.068 1.00 50.51 C ATOM 290 O LYS A 28 10.811 -12.466 -14.091 1.00 49.49 O ATOM 291 CB LYS A 28 8.932 -11.402 -12.137 1.00 49.82 C ATOM 292 CG LYS A 28 7.945 -11.512 -10.983 1.00 49.82 C ATOM 293 CD LYS A 28 8.101 -12.832 -10.244 1.00 49.82 C ATOM 294 CE LYS A 28 7.582 -13.997 -11.074 1.00 50.21 C ATOM 295 NZ LYS A 28 7.584 -15.272 -10.309 1.00 49.70 N ATOM 0 H LYS A 28 10.739 -10.070 -10.851 1.00 49.53 H new ATOM 0 HA LYS A 28 10.284 -12.914 -11.430 1.00 50.07 H new ATOM 0 HB2 LYS A 28 8.988 -10.361 -12.454 1.00 49.82 H new ATOM 0 HB3 LYS A 28 8.549 -11.973 -12.983 1.00 49.82 H new ATOM 0 HG2 LYS A 28 8.099 -10.685 -10.290 1.00 49.82 H new ATOM 0 HG3 LYS A 28 6.927 -11.424 -11.363 1.00 49.82 H new ATOM 0 HD2 LYS A 28 9.152 -12.994 -10.003 1.00 49.82 H new ATOM 0 HD3 LYS A 28 7.561 -12.788 -9.298 1.00 49.82 H new ATOM 0 HE2 LYS A 28 6.569 -13.778 -11.411 1.00 50.21 H new ATOM 0 HE3 LYS A 28 8.198 -14.109 -11.966 1.00 50.21 H new ATOM 0 HZ1 LYS A 28 7.160 -16.025 -10.888 1.00 49.70 H new ATOM 0 HZ2 LYS A 28 8.562 -15.530 -10.067 1.00 49.70 H new ATOM 0 HZ3 LYS A 28 7.031 -15.154 -9.436 1.00 49.70 H new ATOM 309 N ARG A 29 12.369 -11.276 -12.988 1.00 49.53 N ATOM 310 CA ARG A 29 13.294 -11.233 -14.113 1.00 50.07 C ATOM 311 C ARG A 29 12.635 -10.625 -15.346 1.00 50.51 C ATOM 312 O ARG A 29 12.781 -11.137 -16.455 1.00 49.49 O ATOM 313 CB ARG A 29 13.892 -12.598 -14.418 1.00 49.82 C ATOM 314 CG ARG A 29 14.742 -13.188 -13.303 1.00 49.82 C ATOM 315 CD ARG A 29 15.404 -14.471 -13.652 1.00 50.20 C ATOM 316 NE ARG A 29 16.050 -15.138 -12.532 1.00 49.30 N ATOM 317 CZ ARG A 29 16.714 -16.307 -12.618 1.00 50.64 C ATOM 318 NH1 ARG A 29 16.791 -16.961 -13.757 1.00 49.20 N ATOM 319 NH2 ARG A 29 17.266 -16.794 -11.521 1.00 49.20 N ATOM 0 H ARG A 29 12.697 -10.789 -12.154 1.00 49.53 H new ATOM 0 HA ARG A 29 14.121 -10.585 -13.822 1.00 50.07 H new ATOM 0 HB2 ARG A 29 13.082 -13.291 -14.643 1.00 49.82 H new ATOM 0 HB3 ARG A 29 14.503 -12.518 -15.317 1.00 49.82 H new ATOM 0 HG2 ARG A 29 15.506 -12.463 -13.022 1.00 49.82 H new ATOM 0 HG3 ARG A 29 14.113 -13.344 -12.426 1.00 49.82 H new ATOM 0 HD2 ARG A 29 14.662 -15.144 -14.081 1.00 50.20 H new ATOM 0 HD3 ARG A 29 16.148 -14.283 -14.426 1.00 50.20 H new ATOM 0 HE ARG A 29 15.996 -14.689 -11.618 1.00 49.30 H new ATOM 0 HH11 ARG A 29 16.344 -16.584 -14.593 1.00 49.20 H new ATOM 0 HH12 ARG A 29 17.298 -17.845 -13.804 1.00 49.20 H new ATOM 0 HH21 ARG A 29 17.183 -16.287 -10.640 1.00 49.20 H new ATOM 0 HH22 ARG A 29 17.775 -17.677 -11.555 1.00 49.20 H new ATOM 333 N VAL A 30 11.910 -9.531 -15.144 1.00 49.53 N ATOM 334 CA VAL A 30 11.230 -8.848 -16.238 1.00 50.07 C ATOM 335 C VAL A 30 12.215 -8.051 -17.085 1.00 50.51 C ATOM 336 O VAL A 30 12.929 -7.188 -16.574 1.00 49.49 O ATOM 337 CB VAL A 30 10.131 -7.903 -15.719 1.00 49.91 C ATOM 338 CG1 VAL A 30 9.491 -7.147 -16.874 1.00 49.73 C ATOM 339 CG2 VAL A 30 9.079 -8.683 -14.947 1.00 49.73 C ATOM 0 H VAL A 30 11.778 -9.097 -14.230 1.00 49.53 H new ATOM 0 HA VAL A 30 10.769 -9.621 -16.853 1.00 50.07 H new ATOM 0 HB VAL A 30 10.589 -7.180 -15.044 1.00 49.91 H new ATOM 0 HG11 VAL A 30 8.716 -6.483 -16.490 1.00 49.73 H new ATOM 0 HG12 VAL A 30 10.250 -6.558 -17.389 1.00 49.73 H new ATOM 0 HG13 VAL A 30 9.047 -7.857 -17.572 1.00 49.73 H new ATOM 0 HG21 VAL A 30 8.310 -7.999 -14.588 1.00 49.73 H new ATOM 0 HG22 VAL A 30 8.625 -9.428 -15.601 1.00 49.73 H new ATOM 0 HG23 VAL A 30 9.546 -9.182 -14.098 1.00 49.73 H new ATOM 349 N PRO A 31 12.247 -8.345 -18.379 1.00 49.71 N ATOM 350 CA PRO A 31 13.172 -7.685 -19.293 1.00 50.02 C ATOM 351 C PRO A 31 13.005 -6.172 -19.248 1.00 50.51 C ATOM 352 O PRO A 31 11.891 -5.665 -19.112 1.00 49.49 O ATOM 353 CB PRO A 31 12.819 -8.266 -20.672 1.00 49.82 C ATOM 354 CG PRO A 31 12.204 -9.607 -20.382 1.00 49.82 C ATOM 355 CD PRO A 31 11.301 -9.220 -19.085 1.00 50.00 C ATOM 0 HA PRO A 31 14.216 -7.860 -19.035 1.00 50.02 H new ATOM 0 HB2 PRO A 31 12.123 -7.620 -21.206 1.00 49.82 H new ATOM 0 HB3 PRO A 31 13.706 -8.365 -21.298 1.00 49.82 H new ATOM 0 HG2 PRO A 31 11.605 -9.980 -21.212 1.00 49.82 H new ATOM 0 HG3 PRO A 31 12.950 -10.370 -20.159 1.00 49.82 H new ATOM 0 HD2 PRO A 31 10.378 -8.707 -19.356 1.00 50.00 H new ATOM 0 HD3 PRO A 31 11.019 -10.093 -18.496 1.00 50.00 H new ATOM 363 N SER A 32 14.117 -5.453 -19.362 1.00 49.53 N ATOM 364 CA SER A 32 14.093 -3.996 -19.350 1.00 50.07 C ATOM 365 C SER A 32 13.406 -3.446 -20.593 1.00 50.51 C ATOM 366 O SER A 32 13.021 -2.278 -20.636 1.00 49.49 O ATOM 367 CB SER A 32 15.505 -3.452 -19.241 1.00 50.05 C ATOM 368 OG SER A 32 16.268 -3.738 -20.380 1.00 49.34 O ATOM 0 H SER A 32 15.048 -5.857 -19.464 1.00 49.53 H new ATOM 0 HA SER A 32 13.520 -3.673 -18.481 1.00 50.07 H new ATOM 0 HB2 SER A 32 15.467 -2.373 -19.092 1.00 50.05 H new ATOM 0 HB3 SER A 32 15.991 -3.878 -18.363 1.00 50.05 H new ATOM 0 HG SER A 32 17.169 -3.369 -20.271 1.00 49.34 H new ATOM 374 N ASN A 33 13.257 -4.296 -21.604 1.00 49.53 N ATOM 375 CA ASN A 33 12.601 -3.901 -22.845 1.00 50.07 C ATOM 376 C ASN A 33 11.146 -4.353 -22.868 1.00 50.51 C ATOM 377 O ASN A 33 10.454 -4.200 -23.874 1.00 49.49 O ATOM 378 CB ASN A 33 13.337 -4.440 -24.058 1.00 49.82 C ATOM 379 CG ASN A 33 14.700 -3.837 -24.256 1.00 50.55 C ATOM 380 OD1 ASN A 33 14.841 -2.628 -24.473 1.00 49.45 O ATOM 381 ND2 ASN A 33 15.697 -4.684 -24.263 1.00 49.38 N ATOM 0 H ASN A 33 13.582 -5.263 -21.588 1.00 49.53 H new ATOM 0 HA ASN A 33 12.625 -2.812 -22.888 1.00 50.07 H new ATOM 0 HB2 ASN A 33 13.439 -5.521 -23.960 1.00 49.82 H new ATOM 0 HB3 ASN A 33 12.735 -4.256 -24.948 1.00 49.82 H new ATOM 0 HD21 ASN A 33 16.644 -4.356 -24.454 1.00 49.38 H new ATOM 0 HD22 ASN A 33 15.528 -5.673 -24.078 1.00 49.38 H new ATOM 388 N ALA A 34 10.688 -4.913 -21.753 1.00 49.53 N ATOM 389 CA ALA A 34 9.310 -5.375 -21.638 1.00 50.07 C ATOM 390 C ALA A 34 8.348 -4.204 -21.484 1.00 50.51 C ATOM 391 O ALA A 34 8.676 -3.197 -20.857 1.00 49.49 O ATOM 392 CB ALA A 34 9.171 -6.337 -20.468 1.00 49.73 C ATOM 0 H ALA A 34 11.252 -5.058 -20.916 1.00 49.53 H new ATOM 0 HA ALA A 34 9.052 -5.901 -22.557 1.00 50.07 H new ATOM 0 HB1 ALA A 34 8.137 -6.674 -20.395 1.00 49.73 H new ATOM 0 HB2 ALA A 34 9.822 -7.197 -20.625 1.00 49.73 H new ATOM 0 HB3 ALA A 34 9.454 -5.831 -19.545 1.00 49.73 H new ATOM 398 N SER A 35 7.159 -4.342 -22.060 1.00 49.53 N ATOM 399 CA SER A 35 6.140 -3.303 -21.973 1.00 50.07 C ATOM 400 C SER A 35 5.494 -3.280 -20.594 1.00 50.51 C ATOM 401 O SER A 35 5.712 -4.177 -19.779 1.00 49.49 O ATOM 402 CB SER A 35 5.089 -3.513 -23.045 1.00 50.05 C ATOM 403 OG SER A 35 4.309 -4.651 -22.802 1.00 49.34 O ATOM 0 H SER A 35 6.877 -5.165 -22.593 1.00 49.53 H new ATOM 0 HA SER A 35 6.623 -2.339 -22.133 1.00 50.07 H new ATOM 0 HB2 SER A 35 4.444 -2.636 -23.096 1.00 50.05 H new ATOM 0 HB3 SER A 35 5.576 -3.608 -24.016 1.00 50.05 H new ATOM 0 HG SER A 35 3.643 -4.749 -23.514 1.00 49.34 H new ATOM 409 N TRP A 36 4.696 -2.248 -20.336 1.00 49.53 N ATOM 410 CA TRP A 36 3.961 -2.142 -19.082 1.00 50.07 C ATOM 411 C TRP A 36 3.010 -3.319 -18.900 1.00 50.51 C ATOM 412 O TRP A 36 2.928 -3.902 -17.819 1.00 49.49 O ATOM 413 CB TRP A 36 3.182 -0.827 -19.030 1.00 49.82 C ATOM 414 CG TRP A 36 2.418 -0.634 -17.756 1.00 49.97 C ATOM 415 CD1 TRP A 36 2.883 -0.078 -16.602 1.00 50.03 C ATOM 416 CD2 TRP A 36 1.054 -0.995 -17.507 1.00 49.98 C ATOM 417 NE1 TRP A 36 1.896 -0.071 -15.648 1.00 49.39 N ATOM 418 CE2 TRP A 36 0.760 -0.627 -16.181 1.00 50.13 C ATOM 419 CE3 TRP A 36 0.050 -1.592 -18.279 1.00 49.88 C ATOM 420 CZ2 TRP A 36 -0.484 -0.838 -15.609 1.00 49.88 C ATOM 421 CZ3 TRP A 36 -1.198 -1.802 -17.706 1.00 49.88 C ATOM 422 CH2 TRP A 36 -1.459 -1.435 -16.410 1.00 49.88 C ATOM 0 H TRP A 36 4.542 -1.473 -20.981 1.00 49.53 H new ATOM 0 HA TRP A 36 4.685 -2.159 -18.268 1.00 50.07 H new ATOM 0 HB2 TRP A 36 3.877 0.003 -19.157 1.00 49.82 H new ATOM 0 HB3 TRP A 36 2.488 -0.792 -19.869 1.00 49.82 H new ATOM 0 HD1 TRP A 36 3.884 0.302 -16.459 1.00 50.03 H new ATOM 0 HE1 TRP A 36 1.991 0.289 -14.698 1.00 49.39 H new ATOM 0 HE3 TRP A 36 0.242 -1.884 -19.301 1.00 49.88 H new ATOM 0 HZ2 TRP A 36 -0.690 -0.553 -14.588 1.00 49.88 H new ATOM 0 HZ3 TRP A 36 -1.979 -2.264 -18.293 1.00 49.88 H new ATOM 0 HH2 TRP A 36 -2.442 -1.612 -16.000 1.00 49.88 H new ATOM 433 N GLU A 37 2.294 -3.664 -19.965 1.00 49.53 N ATOM 434 CA GLU A 37 1.360 -4.783 -19.930 1.00 50.07 C ATOM 435 C GLU A 37 2.084 -6.097 -19.665 1.00 50.51 C ATOM 436 O GLU A 37 1.595 -6.947 -18.921 1.00 49.49 O ATOM 437 CB GLU A 37 0.578 -4.871 -21.242 1.00 49.82 C ATOM 438 CG GLU A 37 -0.467 -5.976 -21.280 1.00 49.72 C ATOM 439 CD GLU A 37 -1.236 -5.957 -22.572 1.00 50.62 C ATOM 440 OE1 GLU A 37 -0.973 -5.105 -23.385 1.00 49.24 O ATOM 441 OE2 GLU A 37 -2.007 -6.861 -22.794 1.00 49.24 O ATOM 0 H GLU A 37 2.343 -3.184 -20.864 1.00 49.53 H new ATOM 0 HA GLU A 37 0.661 -4.607 -19.112 1.00 50.07 H new ATOM 0 HB2 GLU A 37 0.085 -3.916 -21.421 1.00 49.82 H new ATOM 0 HB3 GLU A 37 1.282 -5.025 -22.060 1.00 49.82 H new ATOM 0 HG2 GLU A 37 0.019 -6.944 -21.158 1.00 49.72 H new ATOM 0 HG3 GLU A 37 -1.155 -5.858 -20.443 1.00 49.72 H new ATOM 448 N GLN A 38 3.252 -6.258 -20.278 1.00 49.53 N ATOM 449 CA GLN A 38 4.065 -7.451 -20.078 1.00 50.07 C ATOM 450 C GLN A 38 4.517 -7.572 -18.628 1.00 50.51 C ATOM 451 O GLN A 38 4.351 -8.618 -18.001 1.00 49.49 O ATOM 452 CB GLN A 38 5.287 -7.429 -21.000 1.00 49.82 C ATOM 453 CG GLN A 38 6.164 -8.665 -20.902 1.00 49.82 C ATOM 454 CD GLN A 38 5.446 -9.922 -21.357 1.00 50.55 C ATOM 455 OE1 GLN A 38 4.779 -9.931 -22.396 1.00 49.45 O ATOM 456 NE2 GLN A 38 5.574 -10.990 -20.578 1.00 49.38 N ATOM 0 H GLN A 38 3.657 -5.575 -20.919 1.00 49.53 H new ATOM 0 HA GLN A 38 3.448 -8.316 -20.322 1.00 50.07 H new ATOM 0 HB2 GLN A 38 4.949 -7.318 -22.030 1.00 49.82 H new ATOM 0 HB3 GLN A 38 5.889 -6.551 -20.766 1.00 49.82 H new ATOM 0 HG2 GLN A 38 7.058 -8.521 -21.508 1.00 49.82 H new ATOM 0 HG3 GLN A 38 6.495 -8.792 -19.871 1.00 49.82 H new ATOM 0 HE21 GLN A 38 6.135 -10.937 -19.728 1.00 49.38 H new ATOM 0 HE22 GLN A 38 5.111 -11.863 -20.830 1.00 49.38 H new ATOM 465 N ALA A 39 5.092 -6.496 -18.101 1.00 49.53 N ATOM 466 CA ALA A 39 5.542 -6.469 -16.715 1.00 50.07 C ATOM 467 C ALA A 39 4.383 -6.693 -15.754 1.00 50.51 C ATOM 468 O ALA A 39 4.538 -7.341 -14.718 1.00 49.49 O ATOM 469 CB ALA A 39 6.241 -5.152 -16.410 1.00 49.73 C ATOM 0 H ALA A 39 5.257 -5.630 -18.614 1.00 49.53 H new ATOM 0 HA ALA A 39 6.253 -7.283 -16.576 1.00 50.07 H new ATOM 0 HB1 ALA A 39 6.571 -5.147 -15.371 1.00 49.73 H new ATOM 0 HB2 ALA A 39 7.104 -5.038 -17.066 1.00 49.73 H new ATOM 0 HB3 ALA A 39 5.549 -4.326 -16.574 1.00 49.73 H new ATOM 475 N MET A 40 3.220 -6.155 -16.103 1.00 49.53 N ATOM 476 CA MET A 40 2.017 -6.336 -15.297 1.00 50.07 C ATOM 477 C MET A 40 1.651 -7.810 -15.181 1.00 50.51 C ATOM 478 O MET A 40 1.478 -8.332 -14.080 1.00 49.49 O ATOM 479 CB MET A 40 0.856 -5.547 -15.897 1.00 49.82 C ATOM 480 CG MET A 40 -0.480 -5.764 -15.199 1.00 49.86 C ATOM 481 SD MET A 40 -1.861 -5.032 -16.097 1.00 49.91 S ATOM 482 CE MET A 40 -1.935 -6.099 -17.533 1.00 49.78 C ATOM 0 H MET A 40 3.084 -5.589 -16.940 1.00 49.53 H new ATOM 0 HA MET A 40 2.220 -5.959 -14.295 1.00 50.07 H new ATOM 0 HB2 MET A 40 1.100 -4.485 -15.866 1.00 49.82 H new ATOM 0 HB3 MET A 40 0.752 -5.820 -16.947 1.00 49.82 H new ATOM 0 HG2 MET A 40 -0.654 -6.834 -15.082 1.00 49.86 H new ATOM 0 HG3 MET A 40 -0.436 -5.336 -14.197 1.00 49.86 H new ATOM 0 HE1 MET A 40 -2.862 -5.914 -18.076 1.00 49.78 H new ATOM 0 HE2 MET A 40 -1.085 -5.893 -18.184 1.00 49.78 H new ATOM 0 HE3 MET A 40 -1.903 -7.141 -17.214 1.00 49.78 H new ATOM 492 N LYS A 41 1.533 -8.477 -16.325 1.00 49.53 N ATOM 493 CA LYS A 41 1.142 -9.882 -16.355 1.00 50.07 C ATOM 494 C LYS A 41 2.142 -10.747 -15.599 1.00 50.51 C ATOM 495 O LYS A 41 1.765 -11.723 -14.949 1.00 49.49 O ATOM 496 CB LYS A 41 1.011 -10.369 -17.799 1.00 49.82 C ATOM 497 CG LYS A 41 -0.178 -9.789 -18.553 1.00 49.82 C ATOM 498 CD LYS A 41 -0.230 -10.301 -19.985 1.00 49.82 C ATOM 499 CE LYS A 41 -1.419 -9.724 -20.738 1.00 50.21 C ATOM 500 NZ LYS A 41 -1.462 -10.189 -22.150 1.00 49.70 N ATOM 0 H LYS A 41 1.703 -8.067 -17.243 1.00 49.53 H new ATOM 0 HA LYS A 41 0.174 -9.971 -15.862 1.00 50.07 H new ATOM 0 HB2 LYS A 41 1.925 -10.119 -18.338 1.00 49.82 H new ATOM 0 HB3 LYS A 41 0.929 -11.456 -17.797 1.00 49.82 H new ATOM 0 HG2 LYS A 41 -1.101 -10.052 -18.037 1.00 49.82 H new ATOM 0 HG3 LYS A 41 -0.113 -8.701 -18.556 1.00 49.82 H new ATOM 0 HD2 LYS A 41 0.693 -10.036 -20.501 1.00 49.82 H new ATOM 0 HD3 LYS A 41 -0.293 -11.389 -19.982 1.00 49.82 H new ATOM 0 HE2 LYS A 41 -2.342 -10.011 -20.233 1.00 50.21 H new ATOM 0 HE3 LYS A 41 -1.369 -8.635 -20.716 1.00 50.21 H new ATOM 0 HZ1 LYS A 41 -2.287 -9.773 -22.628 1.00 49.70 H new ATOM 0 HZ2 LYS A 41 -0.593 -9.894 -22.639 1.00 49.70 H new ATOM 0 HZ3 LYS A 41 -1.536 -11.226 -22.172 1.00 49.70 H new ATOM 514 N MET A 42 3.417 -10.386 -15.688 1.00 49.53 N ATOM 515 CA MET A 42 4.468 -11.104 -14.978 1.00 50.07 C ATOM 516 C MET A 42 4.229 -11.084 -13.473 1.00 50.51 C ATOM 517 O MET A 42 4.680 -11.973 -12.752 1.00 49.49 O ATOM 518 CB MET A 42 5.833 -10.501 -15.304 1.00 49.82 C ATOM 519 CG MET A 42 6.336 -10.804 -16.709 1.00 49.86 C ATOM 520 SD MET A 42 6.641 -12.562 -16.973 1.00 49.91 S ATOM 521 CE MET A 42 8.024 -12.836 -15.870 1.00 49.78 C ATOM 0 H MET A 42 3.748 -9.599 -16.246 1.00 49.53 H new ATOM 0 HA MET A 42 4.450 -12.142 -15.309 1.00 50.07 H new ATOM 0 HB2 MET A 42 5.779 -9.420 -15.176 1.00 49.82 H new ATOM 0 HB3 MET A 42 6.562 -10.871 -14.583 1.00 49.82 H new ATOM 0 HG2 MET A 42 5.604 -10.453 -17.436 1.00 49.86 H new ATOM 0 HG3 MET A 42 7.256 -10.248 -16.889 1.00 49.86 H new ATOM 0 HE1 MET A 42 8.602 -13.692 -16.217 1.00 49.78 H new ATOM 0 HE2 MET A 42 8.660 -11.951 -15.856 1.00 49.78 H new ATOM 0 HE3 MET A 42 7.654 -13.032 -14.864 1.00 49.78 H new ATOM 531 N ILE A 43 3.518 -10.064 -13.006 1.00 49.53 N ATOM 532 CA ILE A 43 3.175 -9.952 -11.593 1.00 50.07 C ATOM 533 C ILE A 43 1.854 -10.649 -11.291 1.00 50.51 C ATOM 534 O ILE A 43 1.718 -11.326 -10.272 1.00 49.49 O ATOM 535 CB ILE A 43 3.082 -8.481 -11.148 1.00 49.91 C ATOM 536 CG1 ILE A 43 4.424 -7.775 -11.358 1.00 49.82 C ATOM 537 CG2 ILE A 43 2.652 -8.392 -9.693 1.00 49.73 C ATOM 538 CD1 ILE A 43 5.580 -8.433 -10.639 1.00 49.73 C ATOM 0 H ILE A 43 3.167 -9.302 -13.586 1.00 49.53 H new ATOM 0 HA ILE A 43 3.975 -10.439 -11.036 1.00 50.07 H new ATOM 0 HB ILE A 43 2.330 -7.980 -11.758 1.00 49.91 H new ATOM 0 HG12 ILE A 43 4.643 -7.742 -12.425 1.00 49.82 H new ATOM 0 HG13 ILE A 43 4.338 -6.743 -11.019 1.00 49.82 H new ATOM 0 HG21 ILE A 43 2.591 -7.345 -9.395 1.00 49.73 H new ATOM 0 HG22 ILE A 43 1.675 -8.861 -9.573 1.00 49.73 H new ATOM 0 HG23 ILE A 43 3.381 -8.906 -9.066 1.00 49.73 H new ATOM 0 HD11 ILE A 43 6.496 -7.876 -10.836 1.00 49.73 H new ATOM 0 HD12 ILE A 43 5.384 -8.442 -9.567 1.00 49.73 H new ATOM 0 HD13 ILE A 43 5.695 -9.457 -10.995 1.00 49.73 H new ATOM 550 N ILE A 44 0.884 -10.478 -12.183 1.00 49.53 N ATOM 551 CA ILE A 44 -0.426 -11.095 -12.015 1.00 50.07 C ATOM 552 C ILE A 44 -0.311 -12.609 -11.884 1.00 50.51 C ATOM 553 O ILE A 44 -1.057 -13.235 -11.131 1.00 49.49 O ATOM 554 CB ILE A 44 -1.363 -10.761 -13.191 1.00 49.91 C ATOM 555 CG1 ILE A 44 -1.709 -9.270 -13.191 1.00 49.82 C ATOM 556 CG2 ILE A 44 -2.627 -11.605 -13.122 1.00 49.73 C ATOM 557 CD1 ILE A 44 -2.406 -8.805 -14.449 1.00 49.73 C ATOM 0 H ILE A 44 0.981 -9.917 -13.030 1.00 49.53 H new ATOM 0 HA ILE A 44 -0.849 -10.686 -11.098 1.00 50.07 H new ATOM 0 HB ILE A 44 -0.847 -10.994 -14.122 1.00 49.91 H new ATOM 0 HG12 ILE A 44 -2.346 -9.054 -12.333 1.00 49.82 H new ATOM 0 HG13 ILE A 44 -0.793 -8.694 -13.060 1.00 49.82 H new ATOM 0 HG21 ILE A 44 -3.277 -11.356 -13.961 1.00 49.73 H new ATOM 0 HG22 ILE A 44 -2.362 -12.661 -13.170 1.00 49.73 H new ATOM 0 HG23 ILE A 44 -3.148 -11.404 -12.186 1.00 49.73 H new ATOM 0 HD11 ILE A 44 -2.618 -7.739 -14.374 1.00 49.73 H new ATOM 0 HD12 ILE A 44 -1.763 -8.987 -15.310 1.00 49.73 H new ATOM 0 HD13 ILE A 44 -3.340 -9.353 -14.571 1.00 49.73 H new ATOM 569 N ASN A 45 0.629 -13.191 -12.621 1.00 49.53 N ATOM 570 CA ASN A 45 0.781 -14.640 -12.661 1.00 50.07 C ATOM 571 C ASN A 45 1.406 -15.165 -11.376 1.00 50.51 C ATOM 572 O ASN A 45 1.450 -16.373 -11.143 1.00 49.49 O ATOM 573 CB ASN A 45 1.602 -15.078 -13.861 1.00 49.82 C ATOM 574 CG ASN A 45 0.878 -14.945 -15.171 1.00 50.55 C ATOM 575 OD1 ASN A 45 -0.357 -14.899 -15.220 1.00 49.45 O ATOM 576 ND2 ASN A 45 1.633 -14.966 -16.240 1.00 49.38 N ATOM 0 H ASN A 45 1.297 -12.681 -13.199 1.00 49.53 H new ATOM 0 HA ASN A 45 -0.218 -15.066 -12.757 1.00 50.07 H new ATOM 0 HB2 ASN A 45 2.516 -14.486 -13.900 1.00 49.82 H new ATOM 0 HB3 ASN A 45 1.901 -16.117 -13.725 1.00 49.82 H new ATOM 0 HD21 ASN A 45 1.206 -14.944 -17.166 1.00 49.38 H new ATOM 0 HD22 ASN A 45 2.648 -15.004 -16.147 1.00 49.38 H new ATOM 583 N ASP A 46 1.891 -14.250 -10.543 1.00 49.53 N ATOM 584 CA ASP A 46 2.542 -14.620 -9.292 1.00 50.07 C ATOM 585 C ASP A 46 1.764 -14.100 -8.090 1.00 50.51 C ATOM 586 O ASP A 46 1.849 -12.921 -7.747 1.00 49.49 O ATOM 587 CB ASP A 46 3.978 -14.090 -9.258 1.00 49.72 C ATOM 588 CG ASP A 46 4.790 -14.549 -8.053 1.00 50.62 C ATOM 589 OD1 ASP A 46 4.233 -15.198 -7.199 1.00 49.24 O ATOM 590 OD2 ASP A 46 5.985 -14.385 -8.071 1.00 49.24 O ATOM 0 H ASP A 46 1.845 -13.245 -10.712 1.00 49.53 H new ATOM 0 HA ASP A 46 2.564 -15.708 -9.238 1.00 50.07 H new ATOM 0 HB2 ASP A 46 4.490 -14.405 -10.167 1.00 49.72 H new ATOM 0 HB3 ASP A 46 3.951 -13.000 -9.269 1.00 49.72 H new ATOM 595 N PRO A 47 1.006 -14.986 -7.454 1.00 49.71 N ATOM 596 CA PRO A 47 0.163 -14.604 -6.327 1.00 50.02 C ATOM 597 C PRO A 47 0.978 -13.916 -5.240 1.00 50.51 C ATOM 598 O PRO A 47 0.445 -13.133 -4.453 1.00 49.49 O ATOM 599 CB PRO A 47 -0.442 -15.933 -5.844 1.00 49.82 C ATOM 600 CG PRO A 47 -0.449 -16.821 -7.057 1.00 49.82 C ATOM 601 CD PRO A 47 1.038 -16.441 -7.656 1.00 50.00 C ATOM 0 HA PRO A 47 -0.607 -13.883 -6.600 1.00 50.02 H new ATOM 0 HB2 PRO A 47 0.152 -16.368 -5.040 1.00 49.82 H new ATOM 0 HB3 PRO A 47 -1.450 -15.789 -5.454 1.00 49.82 H new ATOM 0 HG2 PRO A 47 -0.545 -17.877 -6.806 1.00 49.82 H new ATOM 0 HG3 PRO A 47 -1.256 -16.583 -7.750 1.00 49.82 H new ATOM 0 HD2 PRO A 47 1.848 -16.924 -7.109 1.00 50.00 H new ATOM 0 HD3 PRO A 47 1.152 -16.718 -8.704 1.00 50.00 H new ATOM 609 N ARG A 48 2.273 -14.212 -5.199 1.00 49.53 N ATOM 610 CA ARG A 48 3.166 -13.610 -4.217 1.00 50.07 C ATOM 611 C ARG A 48 2.984 -12.099 -4.160 1.00 50.51 C ATOM 612 O ARG A 48 3.034 -11.498 -3.086 1.00 49.49 O ATOM 613 CB ARG A 48 4.621 -13.987 -4.457 1.00 49.82 C ATOM 614 CG ARG A 48 5.605 -13.417 -3.449 1.00 49.82 C ATOM 615 CD ARG A 48 7.015 -13.825 -3.671 1.00 50.20 C ATOM 616 NE ARG A 48 7.977 -13.167 -2.800 1.00 49.30 N ATOM 617 CZ ARG A 48 9.309 -13.163 -2.997 1.00 50.64 C ATOM 618 NH1 ARG A 48 9.846 -13.809 -4.008 1.00 49.20 N ATOM 619 NH2 ARG A 48 10.067 -12.513 -2.132 1.00 49.20 N ATOM 0 H ARG A 48 2.728 -14.866 -5.836 1.00 49.53 H new ATOM 0 HA ARG A 48 2.892 -14.016 -3.243 1.00 50.07 H new ATOM 0 HB2 ARG A 48 4.705 -15.074 -4.450 1.00 49.82 H new ATOM 0 HB3 ARG A 48 4.908 -13.651 -5.453 1.00 49.82 H new ATOM 0 HG2 ARG A 48 5.546 -12.329 -3.477 1.00 49.82 H new ATOM 0 HG3 ARG A 48 5.303 -13.727 -2.449 1.00 49.82 H new ATOM 0 HD2 ARG A 48 7.095 -14.903 -3.531 1.00 50.20 H new ATOM 0 HD3 ARG A 48 7.281 -13.618 -4.708 1.00 50.20 H new ATOM 0 HE ARG A 48 7.617 -12.674 -1.983 1.00 49.30 H new ATOM 0 HH11 ARG A 48 9.252 -14.324 -4.658 1.00 49.20 H new ATOM 0 HH12 ARG A 48 10.857 -13.796 -4.143 1.00 49.20 H new ATOM 0 HH21 ARG A 48 9.640 -12.032 -1.341 1.00 49.20 H new ATOM 0 HH22 ARG A 48 11.079 -12.493 -2.255 1.00 49.20 H new ATOM 633 N TYR A 49 2.772 -11.489 -5.321 1.00 49.53 N ATOM 634 CA TYR A 49 2.629 -10.041 -5.412 1.00 50.07 C ATOM 635 C TYR A 49 1.231 -9.653 -5.876 1.00 50.51 C ATOM 636 O TYR A 49 1.065 -8.725 -6.668 1.00 49.49 O ATOM 637 CB TYR A 49 3.678 -9.458 -6.361 1.00 49.82 C ATOM 638 CG TYR A 49 5.104 -9.684 -5.911 1.00 50.00 C ATOM 639 CD1 TYR A 49 5.624 -8.999 -4.823 1.00 49.88 C ATOM 640 CD2 TYR A 49 5.928 -10.579 -6.578 1.00 49.88 C ATOM 641 CE1 TYR A 49 6.926 -9.202 -4.408 1.00 49.88 C ATOM 642 CE2 TYR A 49 7.232 -10.790 -6.171 1.00 49.88 C ATOM 643 CZ TYR A 49 7.727 -10.098 -5.085 1.00 50.11 C ATOM 644 OH TYR A 49 9.025 -10.303 -4.676 1.00 49.46 O ATOM 0 H TYR A 49 2.695 -11.976 -6.214 1.00 49.53 H new ATOM 0 HA TYR A 49 2.784 -9.628 -4.415 1.00 50.07 H new ATOM 0 HB2 TYR A 49 3.545 -9.899 -7.349 1.00 49.82 H new ATOM 0 HB3 TYR A 49 3.505 -8.387 -6.464 1.00 49.82 H new ATOM 0 HD1 TYR A 49 5.001 -8.295 -4.291 1.00 49.88 H new ATOM 0 HD2 TYR A 49 5.544 -11.120 -7.430 1.00 49.88 H new ATOM 0 HE1 TYR A 49 7.315 -8.662 -3.558 1.00 49.88 H new ATOM 0 HE2 TYR A 49 7.859 -11.492 -6.700 1.00 49.88 H new ATOM 0 HH TYR A 49 9.090 -10.158 -3.709 1.00 49.46 H new ATOM 654 N SER A 50 0.228 -10.370 -5.380 1.00 49.53 N ATOM 655 CA SER A 50 -1.159 -10.097 -5.738 1.00 50.07 C ATOM 656 C SER A 50 -1.528 -8.649 -5.446 1.00 50.51 C ATOM 657 O SER A 50 -2.397 -8.075 -6.103 1.00 49.49 O ATOM 658 CB SER A 50 -2.085 -11.040 -4.994 1.00 50.05 C ATOM 659 OG SER A 50 -2.049 -10.828 -3.609 1.00 49.34 O ATOM 0 H SER A 50 0.350 -11.145 -4.728 1.00 49.53 H new ATOM 0 HA SER A 50 -1.272 -10.261 -6.810 1.00 50.07 H new ATOM 0 HB2 SER A 50 -3.105 -10.906 -5.355 1.00 50.05 H new ATOM 0 HB3 SER A 50 -1.803 -12.070 -5.210 1.00 50.05 H new ATOM 0 HG SER A 50 -2.660 -11.453 -3.166 1.00 49.34 H new ATOM 665 N ALA A 51 -0.865 -8.062 -4.456 1.00 49.53 N ATOM 666 CA ALA A 51 -1.086 -6.664 -4.108 1.00 50.07 C ATOM 667 C ALA A 51 -0.663 -5.740 -5.243 1.00 50.51 C ATOM 668 O ALA A 51 -1.332 -4.748 -5.532 1.00 49.49 O ATOM 669 CB ALA A 51 -0.341 -6.312 -2.829 1.00 49.73 C ATOM 0 H ALA A 51 -0.169 -8.534 -3.879 1.00 49.53 H new ATOM 0 HA ALA A 51 -2.154 -6.523 -3.942 1.00 50.07 H new ATOM 0 HB1 ALA A 51 -0.516 -5.265 -2.582 1.00 49.73 H new ATOM 0 HB2 ALA A 51 -0.699 -6.941 -2.014 1.00 49.73 H new ATOM 0 HB3 ALA A 51 0.727 -6.477 -2.973 1.00 49.73 H new ATOM 675 N LEU A 52 0.451 -6.073 -5.886 1.00 49.53 N ATOM 676 CA LEU A 52 0.940 -5.301 -7.022 1.00 50.07 C ATOM 677 C LEU A 52 0.109 -5.570 -8.271 1.00 50.51 C ATOM 678 O LEU A 52 -0.061 -4.691 -9.115 1.00 49.49 O ATOM 679 CB LEU A 52 2.417 -5.621 -7.284 1.00 49.82 C ATOM 680 CG LEU A 52 3.395 -5.115 -6.217 1.00 49.91 C ATOM 681 CD1 LEU A 52 4.775 -5.716 -6.444 1.00 49.73 C ATOM 682 CD2 LEU A 52 3.455 -3.595 -6.263 1.00 49.73 C ATOM 0 H LEU A 52 1.033 -6.874 -5.639 1.00 49.53 H new ATOM 0 HA LEU A 52 0.845 -4.243 -6.778 1.00 50.07 H new ATOM 0 HB2 LEU A 52 2.528 -6.702 -7.372 1.00 49.82 H new ATOM 0 HB3 LEU A 52 2.700 -5.192 -8.245 1.00 49.82 H new ATOM 0 HG LEU A 52 3.048 -5.424 -5.231 1.00 49.91 H new ATOM 0 HD11 LEU A 52 5.461 -5.350 -5.681 1.00 49.73 H new ATOM 0 HD12 LEU A 52 4.713 -6.803 -6.385 1.00 49.73 H new ATOM 0 HD13 LEU A 52 5.140 -5.427 -7.429 1.00 49.73 H new ATOM 0 HD21 LEU A 52 4.150 -3.235 -5.504 1.00 49.73 H new ATOM 0 HD22 LEU A 52 3.794 -3.274 -7.248 1.00 49.73 H new ATOM 0 HD23 LEU A 52 2.463 -3.186 -6.070 1.00 49.73 H new ATOM 694 N ALA A 53 -0.406 -6.790 -8.381 1.00 49.53 N ATOM 695 CA ALA A 53 -1.327 -7.138 -9.456 1.00 50.07 C ATOM 696 C ALA A 53 -2.592 -6.293 -9.394 1.00 50.51 C ATOM 697 O ALA A 53 -3.130 -5.886 -10.424 1.00 49.49 O ATOM 698 CB ALA A 53 -1.672 -8.619 -9.398 1.00 49.73 C ATOM 0 H ALA A 53 -0.201 -7.555 -7.738 1.00 49.53 H new ATOM 0 HA ALA A 53 -0.832 -6.929 -10.405 1.00 50.07 H new ATOM 0 HB1 ALA A 53 -2.360 -8.864 -10.207 1.00 49.73 H new ATOM 0 HB2 ALA A 53 -0.762 -9.209 -9.505 1.00 49.73 H new ATOM 0 HB3 ALA A 53 -2.141 -8.846 -8.441 1.00 49.73 H new ATOM 704 N LYS A 54 -3.062 -6.030 -8.179 1.00 49.53 N ATOM 705 CA LYS A 54 -4.216 -5.161 -7.976 1.00 50.07 C ATOM 706 C LYS A 54 -3.841 -3.695 -8.161 1.00 50.51 C ATOM 707 O LYS A 54 -4.644 -2.895 -8.639 1.00 49.49 O ATOM 708 CB LYS A 54 -4.813 -5.378 -6.585 1.00 49.82 C ATOM 709 CG LYS A 54 -5.467 -6.740 -6.388 1.00 49.82 C ATOM 710 CD LYS A 54 -6.009 -6.894 -4.975 1.00 49.82 C ATOM 711 CE LYS A 54 -6.632 -8.267 -4.766 1.00 50.21 C ATOM 712 NZ LYS A 54 -7.168 -8.431 -3.387 1.00 49.70 N ATOM 0 H LYS A 54 -2.661 -6.406 -7.320 1.00 49.53 H new ATOM 0 HA LYS A 54 -4.963 -5.420 -8.726 1.00 50.07 H new ATOM 0 HB2 LYS A 54 -4.025 -5.255 -5.841 1.00 49.82 H new ATOM 0 HB3 LYS A 54 -5.554 -4.601 -6.395 1.00 49.82 H new ATOM 0 HG2 LYS A 54 -6.278 -6.864 -7.106 1.00 49.82 H new ATOM 0 HG3 LYS A 54 -4.740 -7.527 -6.589 1.00 49.82 H new ATOM 0 HD2 LYS A 54 -5.203 -6.745 -4.256 1.00 49.82 H new ATOM 0 HD3 LYS A 54 -6.754 -6.122 -4.783 1.00 49.82 H new ATOM 0 HE2 LYS A 54 -7.436 -8.414 -5.487 1.00 50.21 H new ATOM 0 HE3 LYS A 54 -5.885 -9.037 -4.959 1.00 50.21 H new ATOM 0 HZ1 LYS A 54 -7.583 -9.379 -3.286 1.00 49.70 H new ATOM 0 HZ2 LYS A 54 -6.397 -8.316 -2.699 1.00 49.70 H new ATOM 0 HZ3 LYS A 54 -7.899 -7.712 -3.211 1.00 49.70 H new ATOM 726 N LEU A 55 -2.616 -3.350 -7.780 1.00 49.53 N ATOM 727 CA LEU A 55 -2.105 -1.999 -7.974 1.00 50.07 C ATOM 728 C LEU A 55 -2.231 -1.566 -9.428 1.00 50.51 C ATOM 729 O LEU A 55 -2.656 -0.447 -9.718 1.00 49.49 O ATOM 730 CB LEU A 55 -0.643 -1.914 -7.517 1.00 49.82 C ATOM 731 CG LEU A 55 0.034 -0.556 -7.742 1.00 49.91 C ATOM 732 CD1 LEU A 55 -0.649 0.514 -6.902 1.00 49.73 C ATOM 733 CD2 LEU A 55 1.510 -0.659 -7.389 1.00 49.73 C ATOM 0 H LEU A 55 -1.958 -3.989 -7.334 1.00 49.53 H new ATOM 0 HA LEU A 55 -2.706 -1.320 -7.368 1.00 50.07 H new ATOM 0 HB2 LEU A 55 -0.597 -2.153 -6.455 1.00 49.82 H new ATOM 0 HB3 LEU A 55 -0.070 -2.679 -8.041 1.00 49.82 H new ATOM 0 HG LEU A 55 -0.057 -0.274 -8.791 1.00 49.91 H new ATOM 0 HD11 LEU A 55 -0.161 1.474 -7.069 1.00 49.73 H new ATOM 0 HD12 LEU A 55 -1.698 0.586 -7.188 1.00 49.73 H new ATOM 0 HD13 LEU A 55 -0.577 0.249 -5.847 1.00 49.73 H new ATOM 0 HD21 LEU A 55 1.991 0.306 -7.549 1.00 49.73 H new ATOM 0 HD22 LEU A 55 1.615 -0.948 -6.343 1.00 49.73 H new ATOM 0 HD23 LEU A 55 1.984 -1.410 -8.022 1.00 49.73 H new ATOM 745 N SER A 56 -1.860 -2.458 -10.340 1.00 49.53 N ATOM 746 CA SER A 56 -1.913 -2.162 -11.767 1.00 50.07 C ATOM 747 C SER A 56 -3.348 -1.954 -12.234 1.00 50.51 C ATOM 748 O SER A 56 -3.588 -1.384 -13.298 1.00 49.49 O ATOM 749 CB SER A 56 -1.257 -3.279 -12.556 1.00 50.05 C ATOM 750 OG SER A 56 -2.024 -4.452 -12.543 1.00 49.34 O ATOM 0 H SER A 56 -1.519 -3.393 -10.116 1.00 49.53 H new ATOM 0 HA SER A 56 -1.367 -1.235 -11.942 1.00 50.07 H new ATOM 0 HB2 SER A 56 -1.107 -2.955 -13.586 1.00 50.05 H new ATOM 0 HB3 SER A 56 -0.271 -3.486 -12.140 1.00 50.05 H new ATOM 0 HG SER A 56 -2.235 -4.694 -11.617 1.00 49.34 H new ATOM 756 N GLU A 57 -4.298 -2.420 -11.431 1.00 49.53 N ATOM 757 CA GLU A 57 -5.713 -2.293 -11.765 1.00 50.07 C ATOM 758 C GLU A 57 -6.290 -0.988 -11.233 1.00 50.51 C ATOM 759 O GLU A 57 -7.405 -0.602 -11.584 1.00 49.49 O ATOM 760 CB GLU A 57 -6.502 -3.481 -11.210 1.00 49.82 C ATOM 761 CG GLU A 57 -6.122 -4.826 -11.813 1.00 49.72 C ATOM 762 CD GLU A 57 -6.875 -5.950 -11.159 1.00 50.62 C ATOM 763 OE1 GLU A 57 -7.601 -5.692 -10.230 1.00 49.24 O ATOM 764 OE2 GLU A 57 -6.813 -7.050 -11.659 1.00 49.24 O ATOM 0 H GLU A 57 -4.115 -2.889 -10.544 1.00 49.53 H new ATOM 0 HA GLU A 57 -5.800 -2.286 -12.852 1.00 50.07 H new ATOM 0 HB2 GLU A 57 -6.356 -3.526 -10.131 1.00 49.82 H new ATOM 0 HB3 GLU A 57 -7.564 -3.307 -11.381 1.00 49.82 H new ATOM 0 HG2 GLU A 57 -6.331 -4.819 -12.883 1.00 49.72 H new ATOM 0 HG3 GLU A 57 -5.050 -4.988 -11.699 1.00 49.72 H new ATOM 771 N LYS A 58 -5.523 -0.310 -10.385 1.00 49.53 N ATOM 772 CA LYS A 58 -5.961 0.950 -9.795 1.00 50.07 C ATOM 773 C LYS A 58 -5.956 2.072 -10.824 1.00 50.51 C ATOM 774 O LYS A 58 -5.049 2.165 -11.651 1.00 49.49 O ATOM 775 CB LYS A 58 -5.073 1.321 -8.606 1.00 49.82 C ATOM 776 CG LYS A 58 -5.086 0.308 -7.470 1.00 49.82 C ATOM 777 CD LYS A 58 -6.476 0.172 -6.866 1.00 49.82 C ATOM 778 CE LYS A 58 -6.481 -0.807 -5.700 1.00 50.21 C ATOM 779 NZ LYS A 58 -7.847 -0.999 -5.142 1.00 49.70 N ATOM 0 H LYS A 58 -4.594 -0.612 -10.091 1.00 49.53 H new ATOM 0 HA LYS A 58 -6.984 0.816 -9.444 1.00 50.07 H new ATOM 0 HB2 LYS A 58 -4.048 1.441 -8.957 1.00 49.82 H new ATOM 0 HB3 LYS A 58 -5.392 2.288 -8.218 1.00 49.82 H new ATOM 0 HG2 LYS A 58 -4.752 -0.661 -7.840 1.00 49.82 H new ATOM 0 HG3 LYS A 58 -4.380 0.615 -6.698 1.00 49.82 H new ATOM 0 HD2 LYS A 58 -6.824 1.147 -6.526 1.00 49.82 H new ATOM 0 HD3 LYS A 58 -7.175 -0.167 -7.631 1.00 49.82 H new ATOM 0 HE2 LYS A 58 -6.086 -1.767 -6.031 1.00 50.21 H new ATOM 0 HE3 LYS A 58 -5.817 -0.442 -4.917 1.00 50.21 H new ATOM 0 HZ1 LYS A 58 -7.807 -1.672 -4.350 1.00 49.70 H new ATOM 0 HZ2 LYS A 58 -8.215 -0.087 -4.803 1.00 49.70 H new ATOM 0 HZ3 LYS A 58 -8.475 -1.372 -5.882 1.00 49.70 H new ATOM 793 N LYS A 59 -6.975 2.924 -10.768 1.00 49.53 N ATOM 794 CA LYS A 59 -7.091 4.041 -11.698 1.00 50.07 C ATOM 795 C LYS A 59 -7.813 5.219 -11.057 1.00 50.51 C ATOM 796 O LYS A 59 -8.009 6.257 -11.688 1.00 49.49 O ATOM 797 CB LYS A 59 -7.820 3.605 -12.969 1.00 49.82 C ATOM 798 CG LYS A 59 -7.842 4.654 -14.073 1.00 49.82 C ATOM 799 CD LYS A 59 -8.491 4.114 -15.339 1.00 49.82 C ATOM 800 CE LYS A 59 -8.533 5.168 -16.435 1.00 50.21 C ATOM 801 NZ LYS A 59 -9.117 4.636 -17.696 1.00 49.70 N ATOM 0 H LYS A 59 -7.733 2.862 -10.088 1.00 49.53 H new ATOM 0 HA LYS A 59 -6.083 4.362 -11.961 1.00 50.07 H new ATOM 0 HB2 LYS A 59 -7.347 2.701 -13.353 1.00 49.82 H new ATOM 0 HB3 LYS A 59 -8.847 3.343 -12.713 1.00 49.82 H new ATOM 0 HG2 LYS A 59 -8.386 5.534 -13.730 1.00 49.82 H new ATOM 0 HG3 LYS A 59 -6.824 4.975 -14.293 1.00 49.82 H new ATOM 0 HD2 LYS A 59 -7.937 3.243 -15.691 1.00 49.82 H new ATOM 0 HD3 LYS A 59 -9.504 3.779 -15.116 1.00 49.82 H new ATOM 0 HE2 LYS A 59 -9.120 6.021 -16.095 1.00 50.21 H new ATOM 0 HE3 LYS A 59 -7.524 5.531 -16.628 1.00 50.21 H new ATOM 0 HZ1 LYS A 59 -9.127 5.385 -18.417 1.00 49.70 H new ATOM 0 HZ2 LYS A 59 -8.543 3.838 -18.035 1.00 49.70 H new ATOM 0 HZ3 LYS A 59 -10.089 4.313 -17.519 1.00 49.70 H new TER 815 LYS A 59