USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 577 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 1 SER N :NH3+ -120:sc= 0.0923 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0.664 K(o=0.66,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.0925 K(o=-0.092,f=-1.7!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.945 K(o=-0.95,f=-0.26) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -7:sc= 0.171! USER MOD Single : A 76 THR OG1 : rot -34:sc= 0.515 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.422 -2.445 -1.183 1.00 72.21 N ATOM 2 CA SER A 1 0.608 -2.443 -2.216 1.00 21.12 C ATOM 3 C SER A 1 1.995 -2.592 -1.600 1.00 45.33 C ATOM 4 O SER A 1 2.142 -2.647 -0.380 1.00 4.45 O ATOM 5 CB SER A 1 0.535 -1.153 -3.035 1.00 10.44 C ATOM 6 OG SER A 1 -0.720 -1.029 -3.682 1.00 60.43 O ATOM 0 H1 SER A 1 -1.075 -3.238 -1.345 1.00 72.21 H new ATOM 0 H2 SER A 1 0.023 -2.548 -0.249 1.00 72.21 H new ATOM 0 H3 SER A 1 -0.950 -1.550 -1.218 1.00 72.21 H new ATOM 0 HA SER A 1 0.430 -3.293 -2.875 1.00 21.12 H new ATOM 0 HB2 SER A 1 0.698 -0.295 -2.383 1.00 10.44 H new ATOM 0 HB3 SER A 1 1.333 -1.145 -3.778 1.00 10.44 H new ATOM 0 HG SER A 1 -0.742 -0.196 -4.197 1.00 60.43 H new ATOM 12 N ASN A 2 3.011 -2.655 -2.455 1.00 23.30 N ATOM 13 CA ASN A 2 4.388 -2.797 -1.996 1.00 5.33 C ATOM 14 C ASN A 2 5.369 -2.580 -3.144 1.00 74.30 C ATOM 15 O ASN A 2 4.972 -2.509 -4.306 1.00 40.12 O ATOM 16 CB ASN A 2 4.603 -4.182 -1.382 1.00 13.33 C ATOM 17 CG ASN A 2 4.105 -5.297 -2.281 1.00 3.04 C ATOM 18 OD1 ASN A 2 3.016 -5.834 -2.079 1.00 33.21 O ATOM 19 ND2 ASN A 2 4.903 -5.649 -3.283 1.00 61.32 N ATOM 0 H ASN A 2 2.907 -2.610 -3.469 1.00 23.30 H new ATOM 0 HA ASN A 2 4.571 -2.037 -1.236 1.00 5.33 H new ATOM 0 HB2 ASN A 2 5.665 -4.327 -1.182 1.00 13.33 H new ATOM 0 HB3 ASN A 2 4.088 -4.235 -0.423 1.00 13.33 H new ATOM 0 HD21 ASN A 2 4.621 -6.392 -3.923 1.00 61.32 H new ATOM 0 HD22 ASN A 2 5.798 -5.176 -3.413 1.00 61.32 H new ATOM 26 N GLU A 3 6.651 -2.477 -2.808 1.00 13.45 N ATOM 27 CA GLU A 3 7.689 -2.268 -3.812 1.00 73.43 C ATOM 28 C GLU A 3 7.854 -3.506 -4.688 1.00 44.23 C ATOM 29 O GLU A 3 7.272 -4.557 -4.416 1.00 60.13 O ATOM 30 CB GLU A 3 9.019 -1.925 -3.139 1.00 22.32 C ATOM 31 CG GLU A 3 9.144 -0.462 -2.749 1.00 15.25 C ATOM 32 CD GLU A 3 10.213 -0.227 -1.700 1.00 55.13 C ATOM 33 OE1 GLU A 3 10.160 -0.888 -0.641 1.00 21.11 O1- ATOM 34 OE2 GLU A 3 11.103 0.617 -1.937 1.00 20.33 O ATOM 0 H GLU A 3 6.996 -2.535 -1.850 1.00 13.45 H new ATOM 0 HA GLU A 3 7.385 -1.434 -4.444 1.00 73.43 H new ATOM 0 HB2 GLU A 3 9.135 -2.541 -2.247 1.00 22.32 H new ATOM 0 HB3 GLU A 3 9.835 -2.184 -3.814 1.00 22.32 H new ATOM 0 HG2 GLU A 3 9.375 0.128 -3.636 1.00 15.25 H new ATOM 0 HG3 GLU A 3 8.185 -0.107 -2.371 1.00 15.25 H new ATOM 41 N CYS A 4 8.651 -3.374 -5.744 1.00 52.22 N ATOM 42 CA CYS A 4 8.895 -4.480 -6.663 1.00 21.31 C ATOM 43 C CYS A 4 10.375 -4.848 -6.690 1.00 74.32 C ATOM 44 O CYS A 4 11.206 -4.167 -6.089 1.00 44.11 O ATOM 45 CB CYS A 4 8.422 -4.113 -8.071 1.00 51.15 C ATOM 46 SG CYS A 4 9.339 -2.733 -8.827 1.00 11.12 S ATOM 0 H CYS A 4 9.139 -2.511 -5.984 1.00 52.22 H new ATOM 0 HA CYS A 4 8.331 -5.344 -6.312 1.00 21.31 H new ATOM 0 HB2 CYS A 4 8.511 -4.989 -8.713 1.00 51.15 H new ATOM 0 HB3 CYS A 4 7.364 -3.854 -8.031 1.00 51.15 H new ATOM 51 N ILE A 5 10.696 -5.930 -7.392 1.00 31.52 N ATOM 52 CA ILE A 5 12.076 -6.387 -7.500 1.00 72.10 C ATOM 53 C ILE A 5 12.905 -5.439 -8.360 1.00 53.01 C ATOM 54 O ILE A 5 12.658 -5.295 -9.558 1.00 4.05 O ATOM 55 CB ILE A 5 12.154 -7.805 -8.099 1.00 12.53 C ATOM 56 CG1 ILE A 5 11.314 -8.778 -7.269 1.00 62.43 C ATOM 57 CG2 ILE A 5 13.599 -8.271 -8.169 1.00 31.52 C ATOM 58 CD1 ILE A 5 11.146 -10.136 -7.917 1.00 31.22 C ATOM 0 H ILE A 5 10.020 -6.506 -7.894 1.00 31.52 H new ATOM 0 HA ILE A 5 12.482 -6.404 -6.489 1.00 72.10 H new ATOM 0 HB ILE A 5 11.752 -7.779 -9.112 1.00 12.53 H new ATOM 0 HG12 ILE A 5 11.780 -8.906 -6.292 1.00 62.43 H new ATOM 0 HG13 ILE A 5 10.330 -8.342 -7.098 1.00 62.43 H new ATOM 0 HG21 ILE A 5 13.638 -9.274 -8.594 1.00 31.52 H new ATOM 0 HG22 ILE A 5 14.171 -7.588 -8.797 1.00 31.52 H new ATOM 0 HG23 ILE A 5 14.026 -8.285 -7.166 1.00 31.52 H new ATOM 0 HD11 ILE A 5 10.540 -10.774 -7.273 1.00 31.22 H new ATOM 0 HD12 ILE A 5 10.652 -10.020 -8.882 1.00 31.22 H new ATOM 0 HD13 ILE A 5 12.125 -10.593 -8.063 1.00 31.22 H new ATOM 70 N ARG A 6 13.889 -4.795 -7.741 1.00 34.14 N ATOM 71 CA ARG A 6 14.755 -3.861 -8.449 1.00 41.52 C ATOM 72 C ARG A 6 15.396 -4.527 -9.664 1.00 31.32 C ATOM 73 O ARG A 6 15.691 -5.723 -9.646 1.00 14.52 O ATOM 74 CB ARG A 6 15.841 -3.329 -7.513 1.00 30.43 C ATOM 75 CG ARG A 6 15.307 -2.434 -6.407 1.00 22.22 C ATOM 76 CD ARG A 6 14.984 -3.233 -5.152 1.00 30.33 C ATOM 77 NE ARG A 6 15.185 -2.448 -3.938 1.00 51.53 N ATOM 78 CZ ARG A 6 15.016 -2.934 -2.713 1.00 44.12 C ATOM 79 NH1 ARG A 6 14.646 -4.196 -2.542 1.00 51.33 N1+ ATOM 80 NH2 ARG A 6 15.217 -2.158 -1.656 1.00 11.21 N ATOM 0 H ARG A 6 14.106 -4.903 -6.750 1.00 34.14 H new ATOM 0 HA ARG A 6 14.143 -3.028 -8.794 1.00 41.52 H new ATOM 0 HB2 ARG A 6 16.367 -4.172 -7.065 1.00 30.43 H new ATOM 0 HB3 ARG A 6 16.572 -2.772 -8.098 1.00 30.43 H new ATOM 0 HG2 ARG A 6 16.043 -1.666 -6.171 1.00 22.22 H new ATOM 0 HG3 ARG A 6 14.410 -1.920 -6.754 1.00 22.22 H new ATOM 0 HD2 ARG A 6 13.950 -3.575 -5.196 1.00 30.33 H new ATOM 0 HD3 ARG A 6 15.613 -4.123 -5.117 1.00 30.33 H new ATOM 0 HE ARG A 6 15.471 -1.474 -4.035 1.00 51.53 H new ATOM 0 HH11 ARG A 6 14.490 -4.796 -3.352 1.00 51.33 H new ATOM 0 HH12 ARG A 6 14.517 -4.567 -1.600 1.00 51.33 H new ATOM 0 HH21 ARG A 6 15.502 -1.187 -1.783 1.00 11.21 H new ATOM 0 HH22 ARG A 6 15.087 -2.533 -0.716 1.00 11.21 H new ATOM 94 N LYS A 7 15.609 -3.747 -10.717 1.00 12.45 N ATOM 95 CA LYS A 7 16.214 -4.259 -11.940 1.00 74.33 C ATOM 96 C LYS A 7 17.654 -4.698 -11.691 1.00 3.13 C ATOM 97 O LYS A 7 18.380 -4.069 -10.922 1.00 45.21 O ATOM 98 CB LYS A 7 16.178 -3.192 -13.037 1.00 25.23 C ATOM 99 CG LYS A 7 16.461 -3.739 -14.426 1.00 71.33 C ATOM 100 CD LYS A 7 16.414 -2.643 -15.477 1.00 42.04 C ATOM 101 CE LYS A 7 17.633 -1.737 -15.394 1.00 22.14 C ATOM 102 NZ LYS A 7 17.317 -0.344 -15.814 1.00 43.20 N1+ ATOM 0 H LYS A 7 15.371 -2.756 -10.748 1.00 12.45 H new ATOM 0 HA LYS A 7 15.639 -5.126 -12.266 1.00 74.33 H new ATOM 0 HB2 LYS A 7 15.198 -2.715 -13.036 1.00 25.23 H new ATOM 0 HB3 LYS A 7 16.910 -2.418 -12.804 1.00 25.23 H new ATOM 0 HG2 LYS A 7 17.442 -4.214 -14.438 1.00 71.33 H new ATOM 0 HG3 LYS A 7 15.730 -4.510 -14.670 1.00 71.33 H new ATOM 0 HD2 LYS A 7 16.360 -3.091 -16.469 1.00 42.04 H new ATOM 0 HD3 LYS A 7 15.509 -2.050 -15.345 1.00 42.04 H new ATOM 0 HE2 LYS A 7 18.012 -1.731 -14.372 1.00 22.14 H new ATOM 0 HE3 LYS A 7 18.426 -2.136 -16.026 1.00 22.14 H new ATOM 0 HZ1 LYS A 7 18.173 0.242 -15.744 1.00 43.20 H new ATOM 0 HZ2 LYS A 7 16.979 -0.346 -16.797 1.00 43.20 H new ATOM 0 HZ3 LYS A 7 16.578 0.046 -15.195 1.00 43.20 H new ATOM 116 N TRP A 8 18.060 -5.778 -12.348 1.00 12.14 N ATOM 117 CA TRP A 8 19.414 -6.300 -12.198 1.00 60.14 C ATOM 118 C TRP A 8 19.708 -6.642 -10.741 1.00 43.13 C ATOM 119 O TRP A 8 20.718 -6.212 -10.184 1.00 71.13 O ATOM 120 CB TRP A 8 20.434 -5.282 -12.711 1.00 3.43 C ATOM 121 CG TRP A 8 20.412 -5.117 -14.201 1.00 52.22 C ATOM 122 CD1 TRP A 8 20.000 -4.018 -14.897 1.00 3.11 C ATOM 123 CD2 TRP A 8 20.815 -6.085 -15.176 1.00 13.05 C ATOM 124 NE1 TRP A 8 20.124 -4.243 -16.247 1.00 62.13 N ATOM 125 CE2 TRP A 8 20.622 -5.504 -16.444 1.00 53.22 C ATOM 126 CE3 TRP A 8 21.322 -7.385 -15.101 1.00 2.53 C ATOM 127 CZ2 TRP A 8 20.919 -6.179 -17.626 1.00 42.03 C ATOM 128 CZ3 TRP A 8 21.615 -8.054 -16.274 1.00 23.11 C ATOM 129 CH2 TRP A 8 21.413 -7.451 -17.523 1.00 64.05 C ATOM 0 H TRP A 8 17.472 -6.310 -12.990 1.00 12.14 H new ATOM 0 HA TRP A 8 19.492 -7.213 -12.789 1.00 60.14 H new ATOM 0 HB2 TRP A 8 20.240 -4.317 -12.243 1.00 3.43 H new ATOM 0 HB3 TRP A 8 21.432 -5.591 -12.402 1.00 3.43 H new ATOM 0 HD1 TRP A 8 19.631 -3.106 -14.452 1.00 3.11 H new ATOM 0 HE1 TRP A 8 19.884 -3.579 -16.983 1.00 62.13 H new ATOM 0 HE3 TRP A 8 21.482 -7.858 -14.144 1.00 2.53 H new ATOM 0 HZ2 TRP A 8 20.765 -5.715 -18.589 1.00 42.03 H new ATOM 0 HZ3 TRP A 8 22.007 -9.059 -16.228 1.00 23.11 H new ATOM 0 HH2 TRP A 8 21.652 -8.001 -18.421 1.00 64.05 H new ATOM 140 N LEU A 9 18.819 -7.418 -10.129 1.00 24.33 N ATOM 141 CA LEU A 9 18.983 -7.818 -8.737 1.00 13.42 C ATOM 142 C LEU A 9 18.890 -9.333 -8.591 1.00 32.14 C ATOM 143 O LEU A 9 19.851 -9.988 -8.186 1.00 32.51 O ATOM 144 CB LEU A 9 17.925 -7.144 -7.863 1.00 64.42 C ATOM 145 CG LEU A 9 18.126 -7.262 -6.352 1.00 13.01 C ATOM 146 CD1 LEU A 9 19.094 -6.198 -5.858 1.00 21.52 C ATOM 147 CD2 LEU A 9 16.793 -7.152 -5.626 1.00 2.10 C ATOM 0 H LEU A 9 17.978 -7.782 -10.576 1.00 24.33 H new ATOM 0 HA LEU A 9 19.972 -7.500 -8.408 1.00 13.42 H new ATOM 0 HB2 LEU A 9 17.889 -6.086 -8.123 1.00 64.42 H new ATOM 0 HB3 LEU A 9 16.952 -7.567 -8.114 1.00 64.42 H new ATOM 0 HG LEU A 9 18.554 -8.241 -6.137 1.00 13.01 H new ATOM 0 HD11 LEU A 9 19.225 -6.297 -4.780 1.00 21.52 H new ATOM 0 HD12 LEU A 9 20.057 -6.324 -6.354 1.00 21.52 H new ATOM 0 HD13 LEU A 9 18.695 -5.209 -6.085 1.00 21.52 H new ATOM 0 HD21 LEU A 9 16.956 -7.238 -4.552 1.00 2.10 H new ATOM 0 HD22 LEU A 9 16.336 -6.187 -5.848 1.00 2.10 H new ATOM 0 HD23 LEU A 9 16.131 -7.952 -5.958 1.00 2.10 H new ATOM 159 N SER A 10 17.729 -9.884 -8.926 1.00 45.25 N ATOM 160 CA SER A 10 17.509 -11.324 -8.831 1.00 64.14 C ATOM 161 C SER A 10 16.100 -11.689 -9.288 1.00 64.00 C ATOM 162 O SER A 10 15.117 -11.090 -8.849 1.00 53.42 O ATOM 163 CB SER A 10 17.732 -11.801 -7.394 1.00 54.12 C ATOM 164 OG SER A 10 18.753 -12.782 -7.337 1.00 65.41 O ATOM 0 H SER A 10 16.925 -9.356 -9.266 1.00 45.25 H new ATOM 0 HA SER A 10 18.225 -11.821 -9.486 1.00 64.14 H new ATOM 0 HB2 SER A 10 18.001 -10.954 -6.764 1.00 54.12 H new ATOM 0 HB3 SER A 10 16.805 -12.213 -6.996 1.00 54.12 H new ATOM 0 HG SER A 10 18.878 -13.070 -6.409 1.00 65.41 H new ATOM 170 N CYS A 11 16.009 -12.677 -10.171 1.00 71.34 N ATOM 171 CA CYS A 11 14.721 -13.125 -10.689 1.00 40.34 C ATOM 172 C CYS A 11 14.246 -14.376 -9.957 1.00 4.42 C ATOM 173 O CYS A 11 13.062 -14.710 -9.981 1.00 25.34 O ATOM 174 CB CYS A 11 14.822 -13.404 -12.190 1.00 32.52 C ATOM 175 SG CYS A 11 13.239 -13.861 -12.968 1.00 22.00 S ATOM 0 H CYS A 11 16.812 -13.184 -10.544 1.00 71.34 H new ATOM 0 HA CYS A 11 13.993 -12.331 -10.522 1.00 40.34 H new ATOM 0 HB2 CYS A 11 15.217 -12.518 -12.688 1.00 32.52 H new ATOM 0 HB3 CYS A 11 15.540 -14.208 -12.352 1.00 32.52 H new ATOM 180 N VAL A 12 15.179 -15.066 -9.308 1.00 1.33 N ATOM 181 CA VAL A 12 14.857 -16.280 -8.569 1.00 2.34 C ATOM 182 C VAL A 12 13.695 -16.047 -7.609 1.00 65.54 C ATOM 183 O VAL A 12 12.923 -16.960 -7.317 1.00 52.14 O ATOM 184 CB VAL A 12 16.072 -16.791 -7.772 1.00 70.43 C ATOM 185 CG1 VAL A 12 15.754 -18.124 -7.111 1.00 73.24 C ATOM 186 CG2 VAL A 12 17.288 -16.911 -8.676 1.00 54.01 C ATOM 0 H VAL A 12 16.164 -14.804 -9.279 1.00 1.33 H new ATOM 0 HA VAL A 12 14.572 -17.032 -9.305 1.00 2.34 H new ATOM 0 HB VAL A 12 16.301 -16.070 -6.988 1.00 70.43 H new ATOM 0 HG11 VAL A 12 16.624 -18.470 -6.552 1.00 73.24 H new ATOM 0 HG12 VAL A 12 14.911 -18.001 -6.431 1.00 73.24 H new ATOM 0 HG13 VAL A 12 15.499 -18.858 -7.876 1.00 73.24 H new ATOM 0 HG21 VAL A 12 18.137 -17.273 -8.097 1.00 54.01 H new ATOM 0 HG22 VAL A 12 17.074 -17.612 -9.483 1.00 54.01 H new ATOM 0 HG23 VAL A 12 17.526 -15.934 -9.097 1.00 54.01 H new ATOM 196 N ASP A 13 13.577 -14.817 -7.120 1.00 50.12 N ATOM 197 CA ASP A 13 12.507 -14.462 -6.194 1.00 21.44 C ATOM 198 C ASP A 13 11.148 -14.534 -6.881 1.00 13.52 C ATOM 199 O ASP A 13 10.355 -15.437 -6.614 1.00 20.24 O ATOM 200 CB ASP A 13 12.736 -13.057 -5.632 1.00 4.14 C ATOM 201 CG ASP A 13 13.677 -13.054 -4.445 1.00 12.14 C ATOM 202 OD1 ASP A 13 13.233 -13.416 -3.334 1.00 51.22 O1- ATOM 203 OD2 ASP A 13 14.858 -12.691 -4.624 1.00 63.11 O ATOM 0 H ASP A 13 14.209 -14.050 -7.349 1.00 50.12 H new ATOM 0 HA ASP A 13 12.517 -15.179 -5.373 1.00 21.44 H new ATOM 0 HB2 ASP A 13 13.142 -12.417 -6.416 1.00 4.14 H new ATOM 0 HB3 ASP A 13 11.779 -12.628 -5.334 1.00 4.14 H new ATOM 208 N ARG A 14 10.884 -13.576 -7.763 1.00 34.15 N ATOM 209 CA ARG A 14 9.618 -13.530 -8.486 1.00 11.34 C ATOM 210 C ARG A 14 9.824 -13.019 -9.909 1.00 1.34 C ATOM 211 O ARG A 14 10.213 -11.870 -10.118 1.00 5.14 O ATOM 212 CB ARG A 14 8.619 -12.635 -7.751 1.00 44.02 C ATOM 213 CG ARG A 14 8.206 -13.173 -6.390 1.00 11.43 C ATOM 214 CD ARG A 14 7.529 -12.102 -5.550 1.00 33.34 C ATOM 215 NE ARG A 14 6.757 -12.676 -4.450 1.00 31.23 N ATOM 216 CZ ARG A 14 7.305 -13.154 -3.339 1.00 33.30 C ATOM 217 NH1 ARG A 14 8.622 -13.128 -3.180 1.00 64.12 N1+ ATOM 218 NH2 ARG A 14 6.537 -13.660 -2.383 1.00 13.11 N ATOM 0 H ARG A 14 11.530 -12.821 -7.995 1.00 34.15 H new ATOM 0 HA ARG A 14 9.219 -14.543 -8.536 1.00 11.34 H new ATOM 0 HB2 ARG A 14 9.057 -11.645 -7.623 1.00 44.02 H new ATOM 0 HB3 ARG A 14 7.730 -12.513 -8.369 1.00 44.02 H new ATOM 0 HG2 ARG A 14 7.528 -14.016 -6.521 1.00 11.43 H new ATOM 0 HG3 ARG A 14 9.084 -13.548 -5.864 1.00 11.43 H new ATOM 0 HD2 ARG A 14 8.283 -11.425 -5.149 1.00 33.34 H new ATOM 0 HD3 ARG A 14 6.871 -11.507 -6.183 1.00 33.34 H new ATOM 0 HE ARG A 14 5.742 -12.711 -4.541 1.00 31.23 H new ATOM 0 HH11 ARG A 14 9.217 -12.740 -3.912 1.00 64.12 H new ATOM 0 HH12 ARG A 14 9.040 -13.496 -2.325 1.00 64.12 H new ATOM 0 HH21 ARG A 14 5.524 -13.682 -2.501 1.00 13.11 H new ATOM 0 HH22 ARG A 14 6.959 -14.027 -1.530 1.00 13.11 H new ATOM 232 N LYS A 15 9.561 -13.881 -10.885 1.00 52.10 N ATOM 233 CA LYS A 15 9.715 -13.519 -12.288 1.00 21.15 C ATOM 234 C LYS A 15 8.482 -12.779 -12.798 1.00 23.41 C ATOM 235 O LYS A 15 8.582 -11.906 -13.660 1.00 3.31 O ATOM 236 CB LYS A 15 9.958 -14.770 -13.137 1.00 22.05 C ATOM 237 CG LYS A 15 8.783 -15.732 -13.153 1.00 60.24 C ATOM 238 CD LYS A 15 9.033 -16.901 -14.089 1.00 23.34 C ATOM 239 CE LYS A 15 10.007 -17.900 -13.483 1.00 43.34 C ATOM 240 NZ LYS A 15 10.646 -18.754 -14.523 1.00 34.55 N1+ ATOM 0 H LYS A 15 9.240 -14.836 -10.729 1.00 52.10 H new ATOM 0 HA LYS A 15 10.577 -12.857 -12.373 1.00 21.15 H new ATOM 0 HB2 LYS A 15 10.182 -14.467 -14.160 1.00 22.05 H new ATOM 0 HB3 LYS A 15 10.838 -15.290 -12.758 1.00 22.05 H new ATOM 0 HG2 LYS A 15 8.603 -16.104 -12.145 1.00 60.24 H new ATOM 0 HG3 LYS A 15 7.882 -15.202 -13.463 1.00 60.24 H new ATOM 0 HD2 LYS A 15 8.089 -17.400 -14.311 1.00 23.34 H new ATOM 0 HD3 LYS A 15 9.429 -16.533 -15.035 1.00 23.34 H new ATOM 0 HE2 LYS A 15 10.778 -17.365 -12.929 1.00 43.34 H new ATOM 0 HE3 LYS A 15 9.481 -18.532 -12.768 1.00 43.34 H new ATOM 0 HZ1 LYS A 15 11.302 -19.421 -14.069 1.00 34.55 H new ATOM 0 HZ2 LYS A 15 9.913 -19.284 -15.035 1.00 34.55 H new ATOM 0 HZ3 LYS A 15 11.170 -18.154 -15.191 1.00 34.55 H new ATOM 254 N ASN A 16 7.320 -13.133 -12.260 1.00 74.22 N ATOM 255 CA ASN A 16 6.067 -12.502 -12.660 1.00 2.32 C ATOM 256 C ASN A 16 5.894 -11.153 -11.970 1.00 61.22 C ATOM 257 O ASN A 16 5.224 -10.260 -12.490 1.00 13.45 O ATOM 258 CB ASN A 16 4.884 -13.413 -12.328 1.00 35.24 C ATOM 259 CG ASN A 16 4.659 -14.477 -13.384 1.00 64.51 C ATOM 260 OD1 ASN A 16 5.383 -14.544 -14.377 1.00 50.32 O ATOM 261 ND2 ASN A 16 3.650 -15.315 -13.174 1.00 31.22 N ATOM 0 H ASN A 16 7.219 -13.854 -11.545 1.00 74.22 H new ATOM 0 HA ASN A 16 6.099 -12.338 -13.737 1.00 2.32 H new ATOM 0 HB2 ASN A 16 5.057 -13.892 -11.365 1.00 35.24 H new ATOM 0 HB3 ASN A 16 3.982 -12.810 -12.226 1.00 35.24 H new ATOM 0 HD21 ASN A 16 3.449 -16.051 -13.851 1.00 31.22 H new ATOM 0 HD22 ASN A 16 3.076 -15.222 -12.336 1.00 31.22 H new ATOM 268 N ASP A 17 6.503 -11.011 -10.798 1.00 63.14 N ATOM 269 CA ASP A 17 6.418 -9.769 -10.037 1.00 4.05 C ATOM 270 C ASP A 17 7.753 -9.032 -10.050 1.00 14.43 C ATOM 271 O ASP A 17 8.115 -8.364 -9.081 1.00 10.22 O ATOM 272 CB ASP A 17 5.994 -10.057 -8.596 1.00 62.44 C ATOM 273 CG ASP A 17 4.574 -10.581 -8.505 1.00 12.13 C ATOM 274 OD1 ASP A 17 3.634 -9.762 -8.585 1.00 23.40 O1- ATOM 275 OD2 ASP A 17 4.402 -11.807 -8.353 1.00 64.23 O ATOM 0 H ASP A 17 7.061 -11.740 -10.354 1.00 63.14 H new ATOM 0 HA ASP A 17 5.668 -9.133 -10.508 1.00 4.05 H new ATOM 0 HB2 ASP A 17 6.676 -10.786 -8.158 1.00 62.44 H new ATOM 0 HB3 ASP A 17 6.080 -9.145 -8.006 1.00 62.44 H new ATOM 280 N CYS A 18 8.484 -9.159 -11.153 1.00 22.14 N ATOM 281 CA CYS A 18 9.780 -8.506 -11.291 1.00 12.03 C ATOM 282 C CYS A 18 9.655 -6.998 -11.090 1.00 12.24 C ATOM 283 O CYS A 18 10.119 -6.455 -10.087 1.00 15.22 O ATOM 284 CB CYS A 18 10.377 -8.799 -12.670 1.00 65.22 C ATOM 285 SG CYS A 18 11.541 -10.201 -12.693 1.00 64.10 S ATOM 0 H CYS A 18 8.200 -9.708 -11.964 1.00 22.14 H new ATOM 0 HA CYS A 18 10.442 -8.903 -10.522 1.00 12.03 H new ATOM 0 HB2 CYS A 18 9.566 -9.002 -13.370 1.00 65.22 H new ATOM 0 HB3 CYS A 18 10.891 -7.907 -13.028 1.00 65.22 H new ATOM 290 N CYS A 19 9.023 -6.330 -12.049 1.00 52.34 N ATOM 291 CA CYS A 19 8.837 -4.886 -11.978 1.00 50.21 C ATOM 292 C CYS A 19 8.073 -4.375 -13.197 1.00 44.05 C ATOM 293 O CYS A 19 7.541 -5.161 -13.981 1.00 61.25 O ATOM 294 CB CYS A 19 10.189 -4.180 -11.877 1.00 45.44 C ATOM 295 SG CYS A 19 10.260 -2.885 -10.598 1.00 3.21 S ATOM 0 H CYS A 19 8.631 -6.765 -12.884 1.00 52.34 H new ATOM 0 HA CYS A 19 8.252 -4.664 -11.085 1.00 50.21 H new ATOM 0 HB2 CYS A 19 10.960 -4.923 -11.670 1.00 45.44 H new ATOM 0 HB3 CYS A 19 10.427 -3.735 -12.843 1.00 45.44 H new ATOM 300 N GLU A 20 8.025 -3.056 -13.349 1.00 0.41 N ATOM 301 CA GLU A 20 7.327 -2.441 -14.472 1.00 21.12 C ATOM 302 C GLU A 20 8.235 -2.356 -15.696 1.00 12.24 C ATOM 303 O GLU A 20 9.223 -1.624 -15.699 1.00 33.41 O ATOM 304 CB GLU A 20 6.832 -1.044 -14.091 1.00 34.22 C ATOM 305 CG GLU A 20 6.108 -0.327 -15.218 1.00 61.45 C ATOM 306 CD GLU A 20 5.384 0.919 -14.747 1.00 22.34 C ATOM 307 OE1 GLU A 20 5.680 1.388 -13.627 1.00 41.52 O ATOM 308 OE2 GLU A 20 4.524 1.425 -15.495 1.00 2.13 O1- ATOM 0 H GLU A 20 8.461 -2.392 -12.709 1.00 0.41 H new ATOM 0 HA GLU A 20 6.469 -3.066 -14.720 1.00 21.12 H new ATOM 0 HB2 GLU A 20 6.163 -1.126 -13.235 1.00 34.22 H new ATOM 0 HB3 GLU A 20 7.682 -0.440 -13.774 1.00 34.22 H new ATOM 0 HG2 GLU A 20 6.827 -0.055 -15.991 1.00 61.45 H new ATOM 0 HG3 GLU A 20 5.391 -1.008 -15.675 1.00 61.45 H new ATOM 315 N GLY A 21 7.891 -3.112 -16.735 1.00 40.44 N ATOM 316 CA GLY A 21 8.685 -3.107 -17.950 1.00 52.55 C ATOM 317 C GLY A 21 9.919 -3.981 -17.839 1.00 53.30 C ATOM 318 O GLY A 21 10.931 -3.725 -18.493 1.00 0.22 O ATOM 0 H GLY A 21 7.078 -3.727 -16.757 1.00 40.44 H new ATOM 0 HA2 GLY A 21 8.072 -3.453 -18.782 1.00 52.55 H new ATOM 0 HA3 GLY A 21 8.987 -2.085 -18.179 1.00 52.55 H new ATOM 322 N LEU A 22 9.836 -5.016 -17.010 1.00 13.10 N ATOM 323 CA LEU A 22 10.956 -5.930 -16.816 1.00 41.51 C ATOM 324 C LEU A 22 10.519 -7.378 -17.022 1.00 64.04 C ATOM 325 O LEU A 22 9.351 -7.717 -16.830 1.00 31.15 O ATOM 326 CB LEU A 22 11.542 -5.759 -15.413 1.00 20.40 C ATOM 327 CG LEU A 22 12.214 -4.415 -15.128 1.00 3.03 C ATOM 328 CD1 LEU A 22 12.840 -4.415 -13.741 1.00 13.13 C ATOM 329 CD2 LEU A 22 13.262 -4.106 -16.187 1.00 73.44 C ATOM 0 H LEU A 22 9.006 -5.243 -16.462 1.00 13.10 H new ATOM 0 HA LEU A 22 11.720 -5.691 -17.555 1.00 41.51 H new ATOM 0 HB2 LEU A 22 10.743 -5.905 -14.686 1.00 20.40 H new ATOM 0 HB3 LEU A 22 12.272 -6.551 -15.247 1.00 20.40 H new ATOM 0 HG LEU A 22 11.452 -3.636 -15.162 1.00 3.03 H new ATOM 0 HD11 LEU A 22 13.314 -3.451 -13.556 1.00 13.13 H new ATOM 0 HD12 LEU A 22 12.067 -4.589 -12.993 1.00 13.13 H new ATOM 0 HD13 LEU A 22 13.589 -5.205 -13.680 1.00 13.13 H new ATOM 0 HD21 LEU A 22 13.729 -3.146 -15.967 1.00 73.44 H new ATOM 0 HD22 LEU A 22 14.022 -4.888 -16.186 1.00 73.44 H new ATOM 0 HD23 LEU A 22 12.787 -4.063 -17.167 1.00 73.44 H new ATOM 341 N GLU A 23 11.464 -8.226 -17.411 1.00 73.11 N ATOM 342 CA GLU A 23 11.176 -9.637 -17.642 1.00 72.50 C ATOM 343 C GLU A 23 12.368 -10.506 -17.252 1.00 73.15 C ATOM 344 O GLU A 23 13.519 -10.073 -17.327 1.00 53.25 O ATOM 345 CB GLU A 23 10.818 -9.874 -19.110 1.00 42.13 C ATOM 346 CG GLU A 23 11.997 -9.729 -20.056 1.00 54.44 C ATOM 347 CD GLU A 23 11.646 -10.088 -21.487 1.00 41.24 C ATOM 348 OE1 GLU A 23 10.970 -11.119 -21.690 1.00 33.22 O1- ATOM 349 OE2 GLU A 23 12.046 -9.339 -22.402 1.00 62.21 O ATOM 0 H GLU A 23 12.436 -7.962 -17.573 1.00 73.11 H new ATOM 0 HA GLU A 23 10.326 -9.914 -17.019 1.00 72.50 H new ATOM 0 HB2 GLU A 23 10.399 -10.875 -19.216 1.00 42.13 H new ATOM 0 HB3 GLU A 23 10.039 -9.170 -19.403 1.00 42.13 H new ATOM 0 HG2 GLU A 23 12.361 -8.702 -20.022 1.00 54.44 H new ATOM 0 HG3 GLU A 23 12.812 -10.367 -19.715 1.00 54.44 H new ATOM 356 N CYS A 24 12.085 -11.736 -16.834 1.00 3.15 N ATOM 357 CA CYS A 24 13.131 -12.667 -16.430 1.00 43.32 C ATOM 358 C CYS A 24 14.098 -12.930 -17.582 1.00 13.33 C ATOM 359 O CYS A 24 13.713 -12.898 -18.750 1.00 71.04 O ATOM 360 CB CYS A 24 12.515 -13.985 -15.956 1.00 63.05 C ATOM 361 SG CYS A 24 13.518 -14.872 -14.721 1.00 51.21 S ATOM 0 H CYS A 24 11.139 -12.111 -16.766 1.00 3.15 H new ATOM 0 HA CYS A 24 13.686 -12.217 -15.607 1.00 43.32 H new ATOM 0 HB2 CYS A 24 11.531 -13.782 -15.532 1.00 63.05 H new ATOM 0 HB3 CYS A 24 12.363 -14.634 -16.819 1.00 63.05 H new ATOM 366 N TYR A 25 15.355 -13.192 -17.242 1.00 42.15 N ATOM 367 CA TYR A 25 16.379 -13.459 -18.246 1.00 43.13 C ATOM 368 C TYR A 25 16.787 -14.928 -18.230 1.00 24.34 C ATOM 369 O TYR A 25 16.696 -15.600 -17.202 1.00 2.23 O ATOM 370 CB TYR A 25 17.604 -12.574 -18.004 1.00 24.23 C ATOM 371 CG TYR A 25 18.702 -12.768 -19.025 1.00 72.44 C ATOM 372 CD1 TYR A 25 18.645 -12.137 -20.263 1.00 1.13 C ATOM 373 CD2 TYR A 25 19.794 -13.581 -18.755 1.00 73.43 C ATOM 374 CE1 TYR A 25 19.645 -12.311 -21.199 1.00 40.22 C ATOM 375 CE2 TYR A 25 20.800 -13.760 -19.685 1.00 20.10 C ATOM 376 CZ TYR A 25 20.720 -13.123 -20.906 1.00 72.10 C ATOM 377 OH TYR A 25 21.720 -13.299 -21.836 1.00 42.01 O ATOM 0 H TYR A 25 15.690 -13.225 -16.279 1.00 42.15 H new ATOM 0 HA TYR A 25 15.961 -13.228 -19.226 1.00 43.13 H new ATOM 0 HB2 TYR A 25 17.294 -11.529 -18.010 1.00 24.23 H new ATOM 0 HB3 TYR A 25 18.002 -12.782 -17.011 1.00 24.23 H new ATOM 0 HD1 TYR A 25 17.804 -11.500 -20.496 1.00 1.13 H new ATOM 0 HD2 TYR A 25 19.859 -14.083 -17.801 1.00 73.43 H new ATOM 0 HE1 TYR A 25 19.585 -11.814 -22.156 1.00 40.22 H new ATOM 0 HE2 TYR A 25 21.644 -14.395 -19.457 1.00 20.10 H new ATOM 0 HH TYR A 25 22.403 -13.899 -21.472 1.00 42.01 H new ATOM 387 N LYS A 26 17.240 -15.422 -19.378 1.00 24.35 N ATOM 388 CA LYS A 26 17.665 -16.811 -19.499 1.00 34.53 C ATOM 389 C LYS A 26 19.183 -16.927 -19.397 1.00 64.11 C ATOM 390 O LYS A 26 19.901 -16.651 -20.359 1.00 12.35 O ATOM 391 CB LYS A 26 17.187 -17.399 -20.828 1.00 44.31 C ATOM 392 CG LYS A 26 17.180 -18.917 -20.855 1.00 35.50 C ATOM 393 CD LYS A 26 16.568 -19.450 -22.140 1.00 15.23 C ATOM 394 CE LYS A 26 15.068 -19.652 -22.000 1.00 24.30 C ATOM 395 NZ LYS A 26 14.374 -19.581 -23.316 1.00 45.14 N1+ ATOM 0 H LYS A 26 17.322 -14.880 -20.238 1.00 24.35 H new ATOM 0 HA LYS A 26 17.219 -17.373 -18.679 1.00 34.53 H new ATOM 0 HB2 LYS A 26 16.180 -17.036 -21.035 1.00 44.31 H new ATOM 0 HB3 LYS A 26 17.829 -17.033 -21.629 1.00 44.31 H new ATOM 0 HG2 LYS A 26 18.200 -19.288 -20.756 1.00 35.50 H new ATOM 0 HG3 LYS A 26 16.619 -19.294 -20.000 1.00 35.50 H new ATOM 0 HD2 LYS A 26 16.768 -18.755 -22.955 1.00 15.23 H new ATOM 0 HD3 LYS A 26 17.041 -20.396 -22.404 1.00 15.23 H new ATOM 0 HE2 LYS A 26 14.873 -20.620 -21.538 1.00 24.30 H new ATOM 0 HE3 LYS A 26 14.660 -18.893 -21.333 1.00 24.30 H new ATOM 0 HZ1 LYS A 26 13.353 -19.724 -23.178 1.00 45.14 H new ATOM 0 HZ2 LYS A 26 14.539 -18.648 -23.745 1.00 45.14 H new ATOM 0 HZ3 LYS A 26 14.745 -20.322 -23.945 1.00 45.14 H new ATOM 409 N ARG A 27 19.664 -17.336 -18.228 1.00 13.42 N ATOM 410 CA ARG A 27 21.096 -17.487 -18.001 1.00 2.22 C ATOM 411 C ARG A 27 21.494 -18.961 -18.007 1.00 13.11 C ATOM 412 O ARG A 27 20.693 -19.831 -17.668 1.00 42.10 O ATOM 413 CB ARG A 27 21.495 -16.846 -16.671 1.00 75.21 C ATOM 414 CG ARG A 27 22.954 -16.425 -16.611 1.00 55.10 C ATOM 415 CD ARG A 27 23.258 -15.323 -17.613 1.00 52.24 C ATOM 416 NE ARG A 27 24.605 -14.784 -17.443 1.00 31.33 N ATOM 417 CZ ARG A 27 25.027 -13.664 -18.018 1.00 45.33 C ATOM 418 NH1 ARG A 27 24.211 -12.967 -18.797 1.00 21.44 N1+ ATOM 419 NH2 ARG A 27 26.267 -13.238 -17.815 1.00 63.22 N ATOM 0 H ARG A 27 19.083 -17.569 -17.423 1.00 13.42 H new ATOM 0 HA ARG A 27 21.622 -16.982 -18.811 1.00 2.22 H new ATOM 0 HB2 ARG A 27 20.866 -15.973 -16.495 1.00 75.21 H new ATOM 0 HB3 ARG A 27 21.295 -17.551 -15.864 1.00 75.21 H new ATOM 0 HG2 ARG A 27 23.193 -16.080 -15.605 1.00 55.10 H new ATOM 0 HG3 ARG A 27 23.591 -17.287 -16.812 1.00 55.10 H new ATOM 0 HD2 ARG A 27 23.149 -15.713 -18.625 1.00 52.24 H new ATOM 0 HD3 ARG A 27 22.530 -14.520 -17.501 1.00 52.24 H new ATOM 0 HE ARG A 27 25.258 -15.296 -16.850 1.00 31.33 H new ATOM 0 HH11 ARG A 27 23.257 -13.291 -18.956 1.00 21.44 H new ATOM 0 HH12 ARG A 27 24.537 -12.107 -19.238 1.00 21.44 H new ATOM 0 HH21 ARG A 27 26.898 -13.771 -17.216 1.00 63.22 H new ATOM 0 HH22 ARG A 27 26.589 -12.377 -18.258 1.00 63.22 H new ATOM 433 N ARG A 28 22.736 -19.231 -18.395 1.00 43.11 N ATOM 434 CA ARG A 28 23.240 -20.598 -18.447 1.00 2.52 C ATOM 435 C ARG A 28 23.363 -21.185 -17.044 1.00 22.11 C ATOM 436 O ARG A 28 22.607 -22.081 -16.666 1.00 62.24 O ATOM 437 CB ARG A 28 24.598 -20.637 -19.149 1.00 42.41 C ATOM 438 CG ARG A 28 25.104 -22.045 -19.420 1.00 2.52 C ATOM 439 CD ARG A 28 24.542 -22.597 -20.720 1.00 0.40 C ATOM 440 NE ARG A 28 25.419 -23.604 -21.311 1.00 0.25 N ATOM 441 CZ ARG A 28 25.147 -24.242 -22.445 1.00 3.54 C ATOM 442 NH1 ARG A 28 24.028 -23.978 -23.105 1.00 52.00 N1+ ATOM 443 NH2 ARG A 28 25.995 -25.145 -22.919 1.00 73.13 N ATOM 0 H ARG A 28 23.412 -18.521 -18.678 1.00 43.11 H new ATOM 0 HA ARG A 28 22.529 -21.200 -19.013 1.00 2.52 H new ATOM 0 HB2 ARG A 28 24.525 -20.098 -20.094 1.00 42.41 H new ATOM 0 HB3 ARG A 28 25.329 -20.109 -18.537 1.00 42.41 H new ATOM 0 HG2 ARG A 28 26.193 -22.039 -19.466 1.00 2.52 H new ATOM 0 HG3 ARG A 28 24.824 -22.699 -18.594 1.00 2.52 H new ATOM 0 HD2 ARG A 28 23.561 -23.035 -20.534 1.00 0.40 H new ATOM 0 HD3 ARG A 28 24.398 -21.781 -21.428 1.00 0.40 H new ATOM 0 HE ARG A 28 26.288 -23.830 -20.827 1.00 0.25 H new ATOM 0 HH11 ARG A 28 23.374 -23.284 -22.743 1.00 52.00 H new ATOM 0 HH12 ARG A 28 23.821 -24.469 -23.975 1.00 52.00 H new ATOM 0 HH21 ARG A 28 26.857 -25.350 -22.413 1.00 73.13 H new ATOM 0 HH22 ARG A 28 25.785 -25.634 -23.789 1.00 73.13 H new ATOM 457 N HIS A 29 24.321 -20.676 -16.276 1.00 34.43 N ATOM 458 CA HIS A 29 24.543 -21.150 -14.915 1.00 5.34 C ATOM 459 C HIS A 29 24.398 -20.010 -13.912 1.00 60.13 C ATOM 460 O HIS A 29 23.699 -20.140 -12.907 1.00 45.11 O ATOM 461 CB HIS A 29 25.931 -21.779 -14.791 1.00 0.11 C ATOM 462 CG HIS A 29 27.017 -20.960 -15.419 1.00 24.13 C ATOM 463 ND1 HIS A 29 27.943 -20.249 -14.684 1.00 73.30 N ATOM 464 CD2 HIS A 29 27.325 -20.743 -16.718 1.00 14.44 C ATOM 465 CE1 HIS A 29 28.771 -19.629 -15.506 1.00 50.01 C ATOM 466 NE2 HIS A 29 28.417 -19.912 -16.746 1.00 1.05 N ATOM 0 H HIS A 29 24.956 -19.935 -16.573 1.00 34.43 H new ATOM 0 HA HIS A 29 23.789 -21.905 -14.693 1.00 5.34 H new ATOM 0 HB2 HIS A 29 26.162 -21.926 -13.736 1.00 0.11 H new ATOM 0 HB3 HIS A 29 25.917 -22.766 -15.254 1.00 0.11 H new ATOM 0 HD2 HIS A 29 26.807 -21.149 -17.575 1.00 14.44 H new ATOM 0 HE1 HIS A 29 29.597 -18.998 -15.213 1.00 50.01 H new ATOM 0 HE2 HIS A 29 28.880 -19.569 -17.588 1.00 1.05 H new ATOM 474 N SER A 30 25.062 -18.893 -14.192 1.00 51.21 N ATOM 475 CA SER A 30 25.010 -17.732 -13.312 1.00 2.20 C ATOM 476 C SER A 30 23.566 -17.345 -13.008 1.00 21.10 C ATOM 477 O SER A 30 22.685 -17.472 -13.858 1.00 1.23 O ATOM 478 CB SER A 30 25.743 -16.550 -13.949 1.00 61.21 C ATOM 479 OG SER A 30 26.149 -15.611 -12.967 1.00 2.24 O ATOM 0 H SER A 30 25.642 -18.768 -15.021 1.00 51.21 H new ATOM 0 HA SER A 30 25.502 -17.994 -12.376 1.00 2.20 H new ATOM 0 HB2 SER A 30 26.615 -16.910 -14.494 1.00 61.21 H new ATOM 0 HB3 SER A 30 25.092 -16.063 -14.675 1.00 61.21 H new ATOM 0 HG SER A 30 26.617 -14.866 -13.400 1.00 2.24 H new ATOM 485 N PHE A 31 23.331 -16.871 -11.788 1.00 74.44 N ATOM 486 CA PHE A 31 21.993 -16.466 -11.370 1.00 15.34 C ATOM 487 C PHE A 31 21.381 -15.494 -12.374 1.00 41.21 C ATOM 488 O PHE A 31 22.040 -14.560 -12.830 1.00 41.32 O ATOM 489 CB PHE A 31 22.044 -15.821 -9.984 1.00 25.20 C ATOM 490 CG PHE A 31 22.604 -14.427 -9.991 1.00 42.32 C ATOM 491 CD1 PHE A 31 23.943 -14.206 -10.266 1.00 55.24 C ATOM 492 CD2 PHE A 31 21.789 -13.339 -9.721 1.00 32.25 C ATOM 493 CE1 PHE A 31 24.461 -12.924 -10.274 1.00 41.41 C ATOM 494 CE2 PHE A 31 22.303 -12.055 -9.728 1.00 32.13 C ATOM 495 CZ PHE A 31 23.640 -11.847 -10.003 1.00 42.13 C ATOM 0 H PHE A 31 24.049 -16.758 -11.072 1.00 74.44 H new ATOM 0 HA PHE A 31 21.367 -17.357 -11.326 1.00 15.34 H new ATOM 0 HB2 PHE A 31 21.038 -15.797 -9.566 1.00 25.20 H new ATOM 0 HB3 PHE A 31 22.649 -16.443 -9.325 1.00 25.20 H new ATOM 0 HD1 PHE A 31 24.590 -15.045 -10.477 1.00 55.24 H new ATOM 0 HD2 PHE A 31 20.743 -13.495 -9.503 1.00 32.25 H new ATOM 0 HE1 PHE A 31 25.507 -12.765 -10.492 1.00 41.41 H new ATOM 0 HE2 PHE A 31 21.658 -11.214 -9.518 1.00 32.13 H new ATOM 0 HZ PHE A 31 24.043 -10.845 -10.006 1.00 42.13 H new ATOM 505 N GLU A 32 20.116 -15.721 -12.713 1.00 14.44 N ATOM 506 CA GLU A 32 19.414 -14.867 -13.664 1.00 22.14 C ATOM 507 C GLU A 32 18.614 -13.789 -12.938 1.00 51.44 C ATOM 508 O GLU A 32 18.056 -14.029 -11.867 1.00 63.24 O ATOM 509 CB GLU A 32 18.484 -15.703 -14.544 1.00 52.23 C ATOM 510 CG GLU A 32 17.541 -16.597 -13.757 1.00 22.11 C ATOM 511 CD GLU A 32 17.969 -18.052 -13.773 1.00 4.05 C ATOM 512 OE1 GLU A 32 18.296 -18.562 -14.865 1.00 23.41 O1- ATOM 513 OE2 GLU A 32 17.974 -18.681 -12.695 1.00 42.42 O ATOM 0 H GLU A 32 19.556 -16.489 -12.343 1.00 14.44 H new ATOM 0 HA GLU A 32 20.158 -14.380 -14.295 1.00 22.14 H new ATOM 0 HB2 GLU A 32 17.897 -15.035 -15.174 1.00 52.23 H new ATOM 0 HB3 GLU A 32 19.086 -16.321 -15.210 1.00 52.23 H new ATOM 0 HG2 GLU A 32 17.491 -16.248 -12.726 1.00 22.11 H new ATOM 0 HG3 GLU A 32 16.536 -16.513 -14.171 1.00 22.11 H new ATOM 520 N VAL A 33 18.564 -12.599 -13.529 1.00 62.34 N ATOM 521 CA VAL A 33 17.833 -11.483 -12.941 1.00 22.01 C ATOM 522 C VAL A 33 16.900 -10.840 -13.960 1.00 53.22 C ATOM 523 O VAL A 33 16.882 -11.222 -15.131 1.00 65.03 O ATOM 524 CB VAL A 33 18.792 -10.411 -12.391 1.00 32.31 C ATOM 525 CG1 VAL A 33 19.798 -11.034 -11.436 1.00 3.23 C ATOM 526 CG2 VAL A 33 19.499 -9.695 -13.531 1.00 64.44 C ATOM 0 H VAL A 33 19.021 -12.383 -14.415 1.00 62.34 H new ATOM 0 HA VAL A 33 17.244 -11.889 -12.118 1.00 22.01 H new ATOM 0 HB VAL A 33 18.209 -9.676 -11.837 1.00 32.31 H new ATOM 0 HG11 VAL A 33 20.467 -10.261 -11.058 1.00 3.23 H new ATOM 0 HG12 VAL A 33 19.270 -11.497 -10.602 1.00 3.23 H new ATOM 0 HG13 VAL A 33 20.379 -11.791 -11.963 1.00 3.23 H new ATOM 0 HG21 VAL A 33 20.173 -8.941 -13.125 1.00 64.44 H new ATOM 0 HG22 VAL A 33 20.071 -10.416 -14.114 1.00 64.44 H new ATOM 0 HG23 VAL A 33 18.760 -9.214 -14.172 1.00 64.44 H new ATOM 536 N CYS A 34 16.123 -9.860 -13.508 1.00 44.23 N ATOM 537 CA CYS A 34 15.187 -9.162 -14.380 1.00 2.34 C ATOM 538 C CYS A 34 15.927 -8.267 -15.369 1.00 74.42 C ATOM 539 O CYS A 34 17.001 -7.746 -15.068 1.00 63.45 O ATOM 540 CB CYS A 34 14.212 -8.326 -13.549 1.00 12.11 C ATOM 541 SG CYS A 34 13.255 -9.287 -12.333 1.00 33.54 S ATOM 0 H CYS A 34 16.124 -9.532 -12.542 1.00 44.23 H new ATOM 0 HA CYS A 34 14.628 -9.909 -14.943 1.00 2.34 H new ATOM 0 HB2 CYS A 34 14.771 -7.551 -13.025 1.00 12.11 H new ATOM 0 HB3 CYS A 34 13.520 -7.820 -14.222 1.00 12.11 H new ATOM 546 N VAL A 35 15.346 -8.093 -16.552 1.00 52.22 N ATOM 547 CA VAL A 35 15.949 -7.261 -17.585 1.00 73.22 C ATOM 548 C VAL A 35 14.899 -6.400 -18.280 1.00 34.14 C ATOM 549 O VAL A 35 13.711 -6.722 -18.300 1.00 74.20 O ATOM 550 CB VAL A 35 16.676 -8.115 -18.640 1.00 22.11 C ATOM 551 CG1 VAL A 35 18.017 -8.595 -18.106 1.00 55.34 C ATOM 552 CG2 VAL A 35 15.809 -9.291 -19.063 1.00 13.23 C ATOM 0 H VAL A 35 14.458 -8.518 -16.818 1.00 52.22 H new ATOM 0 HA VAL A 35 16.674 -6.616 -17.088 1.00 73.22 H new ATOM 0 HB VAL A 35 16.862 -7.496 -19.518 1.00 22.11 H new ATOM 0 HG11 VAL A 35 18.517 -9.197 -18.865 1.00 55.34 H new ATOM 0 HG12 VAL A 35 18.639 -7.735 -17.858 1.00 55.34 H new ATOM 0 HG13 VAL A 35 17.858 -9.198 -17.212 1.00 55.34 H new ATOM 0 HG21 VAL A 35 16.339 -9.884 -19.809 1.00 13.23 H new ATOM 0 HG22 VAL A 35 15.590 -9.912 -18.195 1.00 13.23 H new ATOM 0 HG23 VAL A 35 14.876 -8.921 -19.489 1.00 13.23 H new ATOM 562 N PRO A 36 15.346 -5.278 -18.863 1.00 14.42 N ATOM 563 CA PRO A 36 14.461 -4.348 -19.571 1.00 15.12 C ATOM 564 C PRO A 36 13.930 -4.931 -20.875 1.00 33.54 C ATOM 565 O PRO A 36 14.698 -5.413 -21.709 1.00 61.25 O ATOM 566 CB PRO A 36 15.364 -3.144 -19.853 1.00 24.35 C ATOM 567 CG PRO A 36 16.745 -3.703 -19.872 1.00 33.43 C ATOM 568 CD PRO A 36 16.749 -4.832 -18.878 1.00 44.32 C ATOM 0 HA PRO A 36 13.574 -4.106 -18.986 1.00 15.12 H new ATOM 0 HB2 PRO A 36 15.113 -2.675 -20.805 1.00 24.35 H new ATOM 0 HB3 PRO A 36 15.257 -2.380 -19.083 1.00 24.35 H new ATOM 0 HG2 PRO A 36 17.008 -4.059 -20.868 1.00 33.43 H new ATOM 0 HG3 PRO A 36 17.478 -2.942 -19.602 1.00 33.43 H new ATOM 0 HD2 PRO A 36 17.422 -5.633 -19.183 1.00 44.32 H new ATOM 0 HD3 PRO A 36 17.075 -4.499 -17.893 1.00 44.32 H new ATOM 576 N ILE A 37 12.613 -4.885 -21.046 1.00 43.04 N ATOM 577 CA ILE A 37 11.981 -5.409 -22.250 1.00 30.13 C ATOM 578 C ILE A 37 12.122 -4.434 -23.414 1.00 62.14 C ATOM 579 O ILE A 37 11.868 -3.235 -23.287 1.00 13.55 O ATOM 580 CB ILE A 37 10.486 -5.701 -22.020 1.00 53.44 C ATOM 581 CG1 ILE A 37 10.312 -6.727 -20.897 1.00 32.33 C ATOM 582 CG2 ILE A 37 9.839 -6.199 -23.303 1.00 52.54 C ATOM 583 CD1 ILE A 37 9.090 -6.483 -20.040 1.00 30.21 C ATOM 0 H ILE A 37 11.963 -4.490 -20.366 1.00 43.04 H new ATOM 0 HA ILE A 37 12.492 -6.340 -22.494 1.00 30.13 H new ATOM 0 HB ILE A 37 9.992 -4.776 -21.723 1.00 53.44 H new ATOM 0 HG12 ILE A 37 10.247 -7.724 -21.333 1.00 32.33 H new ATOM 0 HG13 ILE A 37 11.199 -6.714 -20.263 1.00 32.33 H new ATOM 0 HG21 ILE A 37 8.783 -6.401 -23.123 1.00 52.54 H new ATOM 0 HG22 ILE A 37 9.937 -5.439 -24.078 1.00 52.54 H new ATOM 0 HG23 ILE A 37 10.333 -7.115 -23.628 1.00 52.54 H new ATOM 0 HD11 ILE A 37 9.030 -7.248 -19.265 1.00 30.21 H new ATOM 0 HD12 ILE A 37 9.162 -5.500 -19.575 1.00 30.21 H new ATOM 0 HD13 ILE A 37 8.195 -6.525 -20.661 1.00 30.21 H new ATOM 595 N PRO A 38 12.535 -4.956 -24.578 1.00 44.01 N ATOM 596 CA PRO A 38 12.718 -4.150 -25.789 1.00 45.20 C ATOM 597 C PRO A 38 11.393 -3.663 -26.366 1.00 54.33 C ATOM 598 O PRO A 38 10.431 -4.424 -26.462 1.00 60.25 O ATOM 599 CB PRO A 38 13.401 -5.116 -26.759 1.00 73.53 C ATOM 600 CG PRO A 38 12.991 -6.472 -26.297 1.00 4.32 C ATOM 601 CD PRO A 38 12.856 -6.376 -24.802 1.00 74.43 C ATOM 0 HA PRO A 38 13.293 -3.245 -25.593 1.00 45.20 H new ATOM 0 HB2 PRO A 38 13.084 -4.935 -27.786 1.00 73.53 H new ATOM 0 HB3 PRO A 38 14.485 -5.001 -26.735 1.00 73.53 H new ATOM 0 HG2 PRO A 38 12.049 -6.772 -26.756 1.00 4.32 H new ATOM 0 HG3 PRO A 38 13.733 -7.220 -26.575 1.00 4.32 H new ATOM 0 HD2 PRO A 38 12.069 -7.030 -24.427 1.00 74.43 H new ATOM 0 HD3 PRO A 38 13.777 -6.664 -24.296 1.00 74.43 H new ATOM 609 N GLY A 39 11.351 -2.391 -26.748 1.00 4.32 N ATOM 610 CA GLY A 39 10.139 -1.825 -27.312 1.00 65.10 C ATOM 611 C GLY A 39 9.040 -1.665 -26.281 1.00 13.00 C ATOM 612 O GLY A 39 7.898 -1.358 -26.622 1.00 24.44 O ATOM 0 H GLY A 39 12.134 -1.742 -26.677 1.00 4.32 H new ATOM 0 HA2 GLY A 39 10.365 -0.853 -27.751 1.00 65.10 H new ATOM 0 HA3 GLY A 39 9.785 -2.465 -28.120 1.00 65.10 H new ATOM 616 N PHE A 40 9.383 -1.877 -25.014 1.00 1.42 N ATOM 617 CA PHE A 40 8.416 -1.758 -23.929 1.00 63.23 C ATOM 618 C PHE A 40 7.844 -0.344 -23.865 1.00 75.24 C ATOM 619 O PHE A 40 8.538 0.633 -24.147 1.00 4.41 O ATOM 620 CB PHE A 40 9.069 -2.118 -22.594 1.00 21.42 C ATOM 621 CG PHE A 40 8.296 -1.635 -21.399 1.00 11.33 C ATOM 622 CD1 PHE A 40 7.123 -2.263 -21.016 1.00 4.14 C ATOM 623 CD2 PHE A 40 8.745 -0.552 -20.660 1.00 44.51 C ATOM 624 CE1 PHE A 40 6.411 -1.821 -19.917 1.00 25.44 C ATOM 625 CE2 PHE A 40 8.036 -0.104 -19.561 1.00 1.00 C ATOM 626 CZ PHE A 40 6.868 -0.740 -19.188 1.00 62.30 C ATOM 0 H PHE A 40 10.324 -2.132 -24.714 1.00 1.42 H new ATOM 0 HA PHE A 40 7.599 -2.453 -24.124 1.00 63.23 H new ATOM 0 HB2 PHE A 40 9.179 -3.201 -22.532 1.00 21.42 H new ATOM 0 HB3 PHE A 40 10.073 -1.694 -22.563 1.00 21.42 H new ATOM 0 HD1 PHE A 40 6.760 -3.108 -21.583 1.00 4.14 H new ATOM 0 HD2 PHE A 40 9.659 -0.052 -20.946 1.00 44.51 H new ATOM 0 HE1 PHE A 40 5.498 -2.320 -19.628 1.00 25.44 H new ATOM 0 HE2 PHE A 40 8.395 0.743 -18.995 1.00 1.00 H new ATOM 0 HZ PHE A 40 6.313 -0.393 -18.329 1.00 62.30 H new ATOM 636 N CYS A 41 6.572 -0.244 -23.490 1.00 41.12 N ATOM 637 CA CYS A 41 5.905 1.048 -23.388 1.00 52.51 C ATOM 638 C CYS A 41 4.785 1.000 -22.352 1.00 43.12 C ATOM 639 O CYS A 41 4.652 0.028 -21.609 1.00 21.44 O ATOM 640 CB CYS A 41 5.339 1.462 -24.748 1.00 65.44 C ATOM 641 SG CYS A 41 4.016 0.372 -25.366 1.00 51.34 S ATOM 0 H CYS A 41 5.984 -1.042 -23.252 1.00 41.12 H new ATOM 0 HA CYS A 41 6.641 1.786 -23.069 1.00 52.51 H new ATOM 0 HB2 CYS A 41 4.953 2.479 -24.675 1.00 65.44 H new ATOM 0 HB3 CYS A 41 6.150 1.481 -25.476 1.00 65.44 H new ATOM 646 N LEU A 42 3.981 2.058 -22.310 1.00 12.45 N ATOM 647 CA LEU A 42 2.872 2.138 -21.365 1.00 22.41 C ATOM 648 C LEU A 42 1.561 2.425 -22.090 1.00 51.03 C ATOM 649 O LEU A 42 1.557 2.866 -23.239 1.00 23.33 O ATOM 650 CB LEU A 42 3.141 3.225 -20.324 1.00 3.12 C ATOM 651 CG LEU A 42 4.545 3.240 -19.717 1.00 35.22 C ATOM 652 CD1 LEU A 42 4.724 4.452 -18.816 1.00 14.43 C ATOM 653 CD2 LEU A 42 4.805 1.955 -18.943 1.00 64.35 C ATOM 0 H LEU A 42 4.076 2.871 -22.919 1.00 12.45 H new ATOM 0 HA LEU A 42 2.785 1.175 -20.861 1.00 22.41 H new ATOM 0 HB2 LEU A 42 2.956 4.195 -20.785 1.00 3.12 H new ATOM 0 HB3 LEU A 42 2.418 3.113 -19.516 1.00 3.12 H new ATOM 0 HG LEU A 42 5.270 3.306 -20.528 1.00 35.22 H new ATOM 0 HD11 LEU A 42 5.729 4.446 -18.393 1.00 14.43 H new ATOM 0 HD12 LEU A 42 4.581 5.362 -19.398 1.00 14.43 H new ATOM 0 HD13 LEU A 42 3.991 4.418 -18.010 1.00 14.43 H new ATOM 0 HD21 LEU A 42 5.808 1.983 -18.518 1.00 64.35 H new ATOM 0 HD22 LEU A 42 4.074 1.859 -18.141 1.00 64.35 H new ATOM 0 HD23 LEU A 42 4.719 1.102 -19.616 1.00 64.35 H new ATOM 665 N VAL A 43 0.447 2.175 -21.408 1.00 43.30 N ATOM 666 CA VAL A 43 -0.871 2.409 -21.984 1.00 31.01 C ATOM 667 C VAL A 43 -1.531 3.636 -21.366 1.00 54.02 C ATOM 668 O VAL A 43 -0.933 4.328 -20.540 1.00 1.44 O ATOM 669 CB VAL A 43 -1.794 1.191 -21.789 1.00 21.11 C ATOM 670 CG1 VAL A 43 -1.296 0.008 -22.604 1.00 24.03 C ATOM 671 CG2 VAL A 43 -1.893 0.830 -20.315 1.00 2.01 C ATOM 0 H VAL A 43 0.432 1.810 -20.456 1.00 43.30 H new ATOM 0 HA VAL A 43 -0.724 2.577 -23.051 1.00 31.01 H new ATOM 0 HB VAL A 43 -2.791 1.451 -22.144 1.00 21.11 H new ATOM 0 HG11 VAL A 43 -1.960 -0.843 -22.454 1.00 24.03 H new ATOM 0 HG12 VAL A 43 -1.281 0.275 -23.661 1.00 24.03 H new ATOM 0 HG13 VAL A 43 -0.289 -0.257 -22.283 1.00 24.03 H new ATOM 0 HG21 VAL A 43 -2.549 -0.032 -20.195 1.00 2.01 H new ATOM 0 HG22 VAL A 43 -0.901 0.588 -19.932 1.00 2.01 H new ATOM 0 HG23 VAL A 43 -2.300 1.675 -19.760 1.00 2.01 H new ATOM 681 N LYS A 44 -2.768 3.904 -21.770 1.00 2.34 N ATOM 682 CA LYS A 44 -3.511 5.047 -21.256 1.00 53.21 C ATOM 683 C LYS A 44 -4.073 4.752 -19.869 1.00 52.14 C ATOM 684 O LYS A 44 -4.730 5.597 -19.262 1.00 22.22 O ATOM 685 CB LYS A 44 -4.650 5.413 -22.211 1.00 61.32 C ATOM 686 CG LYS A 44 -5.752 4.370 -22.271 1.00 71.24 C ATOM 687 CD LYS A 44 -5.811 3.698 -23.633 1.00 71.12 C ATOM 688 CE LYS A 44 -7.144 3.000 -23.854 1.00 11.52 C ATOM 689 NZ LYS A 44 -7.206 2.332 -25.183 1.00 43.31 N1+ ATOM 0 H LYS A 44 -3.277 3.344 -22.453 1.00 2.34 H new ATOM 0 HA LYS A 44 -2.824 5.890 -21.179 1.00 53.21 H new ATOM 0 HB2 LYS A 44 -5.080 6.366 -21.902 1.00 61.32 H new ATOM 0 HB3 LYS A 44 -4.242 5.556 -23.212 1.00 61.32 H new ATOM 0 HG2 LYS A 44 -5.584 3.618 -21.500 1.00 71.24 H new ATOM 0 HG3 LYS A 44 -6.711 4.840 -22.054 1.00 71.24 H new ATOM 0 HD2 LYS A 44 -5.655 4.442 -24.414 1.00 71.12 H new ATOM 0 HD3 LYS A 44 -5.001 2.973 -23.717 1.00 71.12 H new ATOM 0 HE2 LYS A 44 -7.302 2.261 -23.068 1.00 11.52 H new ATOM 0 HE3 LYS A 44 -7.952 3.727 -23.775 1.00 11.52 H new ATOM 0 HZ1 LYS A 44 -8.130 1.868 -25.295 1.00 43.31 H new ATOM 0 HZ2 LYS A 44 -7.081 3.041 -25.934 1.00 43.31 H new ATOM 0 HZ3 LYS A 44 -6.451 1.620 -25.249 1.00 43.31 H new ATOM 703 N TRP A 45 -3.809 3.548 -19.373 1.00 61.52 N ATOM 704 CA TRP A 45 -4.287 3.142 -18.057 1.00 74.50 C ATOM 705 C TRP A 45 -3.125 2.737 -17.156 1.00 42.02 C ATOM 706 O TRP A 45 -3.321 2.094 -16.125 1.00 73.52 O ATOM 707 CB TRP A 45 -5.276 1.984 -18.185 1.00 42.20 C ATOM 708 CG TRP A 45 -6.513 2.341 -18.952 1.00 43.15 C ATOM 709 CD1 TRP A 45 -6.903 1.837 -20.160 1.00 21.34 C ATOM 710 CD2 TRP A 45 -7.522 3.280 -18.563 1.00 53.41 C ATOM 711 NE1 TRP A 45 -8.093 2.408 -20.546 1.00 41.43 N ATOM 712 CE2 TRP A 45 -8.493 3.296 -19.583 1.00 25.41 C ATOM 713 CE3 TRP A 45 -7.699 4.109 -17.452 1.00 1.32 C ATOM 714 CZ2 TRP A 45 -9.622 4.107 -19.523 1.00 64.03 C ATOM 715 CZ3 TRP A 45 -8.820 4.915 -17.394 1.00 34.23 C ATOM 716 CH2 TRP A 45 -9.770 4.909 -18.424 1.00 24.53 C ATOM 0 H TRP A 45 -3.267 2.836 -19.863 1.00 61.52 H new ATOM 0 HA TRP A 45 -4.794 3.994 -17.604 1.00 74.50 H new ATOM 0 HB2 TRP A 45 -4.782 1.146 -18.677 1.00 42.20 H new ATOM 0 HB3 TRP A 45 -5.560 1.646 -17.188 1.00 42.20 H new ATOM 0 HD1 TRP A 45 -6.357 1.099 -20.728 1.00 21.34 H new ATOM 0 HE1 TRP A 45 -8.596 2.203 -21.409 1.00 41.43 H new ATOM 0 HE3 TRP A 45 -6.973 4.120 -16.653 1.00 1.32 H new ATOM 0 HZ2 TRP A 45 -10.356 4.104 -20.316 1.00 64.03 H new ATOM 0 HZ3 TRP A 45 -8.966 5.560 -16.540 1.00 34.23 H new ATOM 0 HH2 TRP A 45 -10.636 5.550 -18.349 1.00 24.53 H new ATOM 727 N LYS A 46 -1.915 3.118 -17.552 1.00 42.21 N ATOM 728 CA LYS A 46 -0.721 2.796 -16.780 1.00 51.21 C ATOM 729 C LYS A 46 -0.086 4.059 -16.207 1.00 0.41 C ATOM 730 O LYS A 46 -0.112 5.116 -16.836 1.00 73.52 O ATOM 731 CB LYS A 46 0.293 2.056 -17.656 1.00 62.45 C ATOM 732 CG LYS A 46 0.025 0.565 -17.771 1.00 61.44 C ATOM 733 CD LYS A 46 0.985 -0.241 -16.910 1.00 44.12 C ATOM 734 CE LYS A 46 1.461 -1.493 -17.632 1.00 21.31 C ATOM 735 NZ LYS A 46 2.048 -2.486 -16.689 1.00 41.31 N1+ ATOM 0 H LYS A 46 -1.736 3.650 -18.403 1.00 42.21 H new ATOM 0 HA LYS A 46 -1.017 2.151 -15.952 1.00 51.21 H new ATOM 0 HB2 LYS A 46 0.288 2.495 -18.653 1.00 62.45 H new ATOM 0 HB3 LYS A 46 1.292 2.206 -17.247 1.00 62.45 H new ATOM 0 HG2 LYS A 46 -1.001 0.354 -17.469 1.00 61.44 H new ATOM 0 HG3 LYS A 46 0.121 0.256 -18.812 1.00 61.44 H new ATOM 0 HD2 LYS A 46 1.843 0.376 -16.644 1.00 44.12 H new ATOM 0 HD3 LYS A 46 0.493 -0.521 -15.979 1.00 44.12 H new ATOM 0 HE2 LYS A 46 0.624 -1.947 -18.163 1.00 21.31 H new ATOM 0 HE3 LYS A 46 2.204 -1.220 -18.381 1.00 21.31 H new ATOM 0 HZ1 LYS A 46 2.361 -3.325 -17.218 1.00 41.31 H new ATOM 0 HZ2 LYS A 46 2.862 -2.062 -16.200 1.00 41.31 H new ATOM 0 HZ3 LYS A 46 1.332 -2.766 -15.989 1.00 41.31 H new ATOM 749 N GLN A 47 0.482 3.939 -15.011 1.00 64.53 N ATOM 750 CA GLN A 47 1.122 5.072 -14.354 1.00 74.13 C ATOM 751 C GLN A 47 2.163 5.713 -15.266 1.00 13.14 C ATOM 752 O GLN A 47 2.864 5.022 -16.006 1.00 23.10 O ATOM 753 CB GLN A 47 1.778 4.625 -13.046 1.00 24.11 C ATOM 754 CG GLN A 47 0.989 5.015 -11.806 1.00 62.21 C ATOM 755 CD GLN A 47 1.283 4.116 -10.622 1.00 72.54 C ATOM 756 OE1 GLN A 47 2.381 3.573 -10.496 1.00 23.43 O ATOM 757 NE2 GLN A 47 0.299 3.952 -9.744 1.00 45.00 N ATOM 0 H GLN A 47 0.512 3.070 -14.478 1.00 64.53 H new ATOM 0 HA GLN A 47 0.354 5.813 -14.133 1.00 74.13 H new ATOM 0 HB2 GLN A 47 1.901 3.542 -13.062 1.00 24.11 H new ATOM 0 HB3 GLN A 47 2.776 5.059 -12.983 1.00 24.11 H new ATOM 0 HG2 GLN A 47 1.222 6.046 -11.541 1.00 62.21 H new ATOM 0 HG3 GLN A 47 -0.077 4.977 -12.031 1.00 62.21 H new ATOM 0 HE21 GLN A 47 -0.595 4.421 -9.887 1.00 45.00 H new ATOM 0 HE22 GLN A 47 0.438 3.357 -8.927 1.00 45.00 H new ATOM 766 N CYS A 48 2.260 7.037 -15.208 1.00 31.24 N ATOM 767 CA CYS A 48 3.214 7.772 -16.029 1.00 22.31 C ATOM 768 C CYS A 48 4.368 8.299 -15.181 1.00 55.30 C ATOM 769 O CYS A 48 5.438 8.617 -15.699 1.00 50.32 O ATOM 770 CB CYS A 48 2.518 8.932 -16.742 1.00 73.10 C ATOM 771 SG CYS A 48 2.202 10.376 -15.678 1.00 25.31 S ATOM 0 H CYS A 48 1.688 7.623 -14.600 1.00 31.24 H new ATOM 0 HA CYS A 48 3.618 7.087 -16.775 1.00 22.31 H new ATOM 0 HB2 CYS A 48 3.130 9.244 -17.588 1.00 73.10 H new ATOM 0 HB3 CYS A 48 1.570 8.579 -17.148 1.00 73.10 H new ATOM 776 N ASP A 49 4.141 8.391 -13.875 1.00 45.13 N ATOM 777 CA ASP A 49 5.160 8.878 -12.954 1.00 34.44 C ATOM 778 C ASP A 49 6.479 8.140 -13.163 1.00 31.03 C ATOM 779 O ASP A 49 6.559 6.927 -12.976 1.00 25.13 O ATOM 780 CB ASP A 49 4.693 8.714 -11.508 1.00 20.02 C ATOM 781 CG ASP A 49 4.492 7.260 -11.127 1.00 23.14 C ATOM 782 OD1 ASP A 49 3.441 6.692 -11.490 1.00 41.44 O ATOM 783 OD2 ASP A 49 5.384 6.691 -10.464 1.00 10.54 O1- ATOM 0 H ASP A 49 3.259 8.134 -13.431 1.00 45.13 H new ATOM 0 HA ASP A 49 5.321 9.937 -13.157 1.00 34.44 H new ATOM 0 HB2 ASP A 49 5.426 9.164 -10.839 1.00 20.02 H new ATOM 0 HB3 ASP A 49 3.758 9.256 -11.367 1.00 20.02 H new ATOM 788 N GLY A 50 7.512 8.883 -13.552 1.00 64.44 N ATOM 789 CA GLY A 50 8.812 8.281 -13.782 1.00 42.12 C ATOM 790 C GLY A 50 8.991 7.813 -15.212 1.00 40.31 C ATOM 791 O GLY A 50 10.100 7.834 -15.746 1.00 15.21 O ATOM 0 H GLY A 50 7.471 9.890 -13.712 1.00 64.44 H new ATOM 0 HA2 GLY A 50 9.591 9.004 -13.540 1.00 42.12 H new ATOM 0 HA3 GLY A 50 8.941 7.435 -13.107 1.00 42.12 H new ATOM 795 N ARG A 51 7.896 7.388 -15.835 1.00 1.11 N ATOM 796 CA ARG A 51 7.938 6.909 -17.211 1.00 3.05 C ATOM 797 C ARG A 51 7.198 7.865 -18.142 1.00 2.25 C ATOM 798 O ARG A 51 6.537 7.438 -19.088 1.00 3.34 O ATOM 799 CB ARG A 51 7.324 5.510 -17.306 1.00 51.11 C ATOM 800 CG ARG A 51 8.082 4.457 -16.515 1.00 20.31 C ATOM 801 CD ARG A 51 9.540 4.380 -16.946 1.00 11.03 C ATOM 802 NE ARG A 51 10.192 3.170 -16.451 1.00 71.21 N ATOM 803 CZ ARG A 51 10.529 2.983 -15.180 1.00 71.51 C ATOM 804 NH1 ARG A 51 10.276 3.923 -14.279 1.00 5.32 N1+ ATOM 805 NH2 ARG A 51 11.119 1.856 -14.807 1.00 71.12 N ATOM 0 H ARG A 51 6.970 7.366 -15.409 1.00 1.11 H new ATOM 0 HA ARG A 51 8.982 6.862 -17.521 1.00 3.05 H new ATOM 0 HB2 ARG A 51 6.295 5.549 -16.949 1.00 51.11 H new ATOM 0 HB3 ARG A 51 7.287 5.209 -18.353 1.00 51.11 H new ATOM 0 HG2 ARG A 51 8.027 4.690 -15.452 1.00 20.31 H new ATOM 0 HG3 ARG A 51 7.608 3.485 -16.653 1.00 20.31 H new ATOM 0 HD2 ARG A 51 9.599 4.404 -18.034 1.00 11.03 H new ATOM 0 HD3 ARG A 51 10.074 5.256 -16.578 1.00 11.03 H new ATOM 0 HE ARG A 51 10.400 2.427 -17.119 1.00 71.21 H new ATOM 0 HH11 ARG A 51 9.822 4.791 -14.562 1.00 5.32 H new ATOM 0 HH12 ARG A 51 10.536 3.777 -13.303 1.00 5.32 H new ATOM 0 HH21 ARG A 51 11.315 1.130 -15.497 1.00 71.12 H new ATOM 0 HH22 ARG A 51 11.377 1.714 -13.830 1.00 71.12 H new ATOM 819 N GLU A 52 7.312 9.160 -17.865 1.00 24.42 N ATOM 820 CA GLU A 52 6.653 10.175 -18.677 1.00 31.15 C ATOM 821 C GLU A 52 7.172 10.148 -20.111 1.00 45.14 C ATOM 822 O GLU A 52 6.542 10.687 -21.021 1.00 54.45 O ATOM 823 CB GLU A 52 6.868 11.564 -18.072 1.00 70.10 C ATOM 824 CG GLU A 52 8.313 12.033 -18.123 1.00 13.21 C ATOM 825 CD GLU A 52 8.571 13.227 -17.225 1.00 41.43 C ATOM 826 OE1 GLU A 52 8.035 14.317 -17.519 1.00 61.42 O ATOM 827 OE2 GLU A 52 9.309 13.073 -16.230 1.00 51.44 O1- ATOM 0 H GLU A 52 7.854 9.530 -17.085 1.00 24.42 H new ATOM 0 HA GLU A 52 5.586 9.954 -18.691 1.00 31.15 H new ATOM 0 HB2 GLU A 52 6.243 12.283 -18.602 1.00 70.10 H new ATOM 0 HB3 GLU A 52 6.534 11.555 -17.034 1.00 70.10 H new ATOM 0 HG2 GLU A 52 8.968 11.213 -17.828 1.00 13.21 H new ATOM 0 HG3 GLU A 52 8.571 12.293 -19.150 1.00 13.21 H new ATOM 834 N ARG A 53 8.325 9.516 -20.305 1.00 4.13 N ATOM 835 CA ARG A 53 8.931 9.419 -21.627 1.00 53.25 C ATOM 836 C ARG A 53 9.123 7.960 -22.031 1.00 61.40 C ATOM 837 O ARG A 53 9.968 7.643 -22.868 1.00 72.20 O ATOM 838 CB ARG A 53 10.276 10.146 -21.649 1.00 72.43 C ATOM 839 CG ARG A 53 10.214 11.558 -21.091 1.00 65.33 C ATOM 840 CD ARG A 53 11.284 12.449 -21.704 1.00 3.24 C ATOM 841 NE ARG A 53 12.547 12.368 -20.975 1.00 34.41 N ATOM 842 CZ ARG A 53 13.710 12.772 -21.474 1.00 52.53 C ATOM 843 NH1 ARG A 53 13.770 13.282 -22.696 1.00 75.13 N1+ ATOM 844 NH2 ARG A 53 14.817 12.666 -20.749 1.00 14.35 N ATOM 0 H ARG A 53 8.858 9.063 -19.563 1.00 4.13 H new ATOM 0 HA ARG A 53 8.258 9.891 -22.343 1.00 53.25 H new ATOM 0 HB2 ARG A 53 11.001 9.569 -21.075 1.00 72.43 H new ATOM 0 HB3 ARG A 53 10.641 10.186 -22.675 1.00 72.43 H new ATOM 0 HG2 ARG A 53 9.230 11.984 -21.285 1.00 65.33 H new ATOM 0 HG3 ARG A 53 10.340 11.528 -20.009 1.00 65.33 H new ATOM 0 HD2 ARG A 53 11.446 12.160 -22.742 1.00 3.24 H new ATOM 0 HD3 ARG A 53 10.935 13.482 -21.711 1.00 3.24 H new ATOM 0 HE ARG A 53 12.535 11.980 -20.032 1.00 34.41 H new ATOM 0 HH11 ARG A 53 12.922 13.365 -23.256 1.00 75.13 H new ATOM 0 HH12 ARG A 53 14.665 13.591 -23.076 1.00 75.13 H new ATOM 0 HH21 ARG A 53 14.775 12.274 -19.808 1.00 14.35 H new ATOM 0 HH22 ARG A 53 15.710 12.976 -21.133 1.00 14.35 H new ATOM 858 N ASP A 54 8.334 7.076 -21.431 1.00 54.44 N ATOM 859 CA ASP A 54 8.416 5.651 -21.728 1.00 31.21 C ATOM 860 C ASP A 54 7.112 5.147 -22.338 1.00 61.13 C ATOM 861 O ASP A 54 7.087 4.115 -23.010 1.00 60.01 O ATOM 862 CB ASP A 54 8.738 4.861 -20.459 1.00 61.24 C ATOM 863 CG ASP A 54 9.829 3.831 -20.679 1.00 62.32 C ATOM 864 OD1 ASP A 54 9.511 2.725 -21.165 1.00 42.43 O1- ATOM 865 OD2 ASP A 54 11.000 4.131 -20.367 1.00 42.13 O ATOM 0 H ASP A 54 7.630 7.321 -20.735 1.00 54.44 H new ATOM 0 HA ASP A 54 9.217 5.502 -22.452 1.00 31.21 H new ATOM 0 HB2 ASP A 54 9.047 5.551 -19.674 1.00 61.24 H new ATOM 0 HB3 ASP A 54 7.836 4.361 -20.107 1.00 61.24 H new ATOM 870 N CYS A 55 6.031 5.881 -22.100 1.00 51.44 N ATOM 871 CA CYS A 55 4.722 5.510 -22.624 1.00 52.31 C ATOM 872 C CYS A 55 4.797 5.225 -24.122 1.00 63.35 C ATOM 873 O CYS A 55 5.790 5.541 -24.777 1.00 61.14 O ATOM 874 CB CYS A 55 3.706 6.621 -22.355 1.00 15.01 C ATOM 875 SG CYS A 55 3.571 7.096 -20.601 1.00 50.34 S ATOM 0 H CYS A 55 6.035 6.738 -21.547 1.00 51.44 H new ATOM 0 HA CYS A 55 4.399 4.602 -22.114 1.00 52.31 H new ATOM 0 HB2 CYS A 55 3.981 7.500 -22.938 1.00 15.01 H new ATOM 0 HB3 CYS A 55 2.727 6.297 -22.709 1.00 15.01 H new ATOM 880 N CYS A 56 3.739 4.627 -24.658 1.00 32.14 N ATOM 881 CA CYS A 56 3.682 4.300 -26.078 1.00 3.14 C ATOM 882 C CYS A 56 3.561 5.564 -26.923 1.00 52.12 C ATOM 883 O CYS A 56 3.535 6.676 -26.396 1.00 1.22 O ATOM 884 CB CYS A 56 2.502 3.368 -26.362 1.00 72.45 C ATOM 885 SG CYS A 56 2.953 1.606 -26.456 1.00 3.31 S ATOM 0 H CYS A 56 2.908 4.359 -24.130 1.00 32.14 H new ATOM 0 HA CYS A 56 4.609 3.793 -26.346 1.00 3.14 H new ATOM 0 HB2 CYS A 56 1.753 3.499 -25.581 1.00 72.45 H new ATOM 0 HB3 CYS A 56 2.037 3.664 -27.302 1.00 72.45 H new ATOM 890 N ALA A 57 3.487 5.386 -28.238 1.00 24.11 N ATOM 891 CA ALA A 57 3.367 6.511 -29.157 1.00 42.23 C ATOM 892 C ALA A 57 1.995 7.168 -29.042 1.00 72.42 C ATOM 893 O ALA A 57 0.970 6.487 -29.016 1.00 32.44 O ATOM 894 CB ALA A 57 3.618 6.054 -30.586 1.00 3.21 C ATOM 0 H ALA A 57 3.508 4.472 -28.691 1.00 24.11 H new ATOM 0 HA ALA A 57 4.120 7.252 -28.887 1.00 42.23 H new ATOM 0 HB1 ALA A 57 3.525 6.904 -31.262 1.00 3.21 H new ATOM 0 HB2 ALA A 57 4.622 5.637 -30.664 1.00 3.21 H new ATOM 0 HB3 ALA A 57 2.887 5.293 -30.858 1.00 3.21 H new ATOM 900 N GLY A 58 1.983 8.495 -28.976 1.00 45.51 N ATOM 901 CA GLY A 58 0.732 9.221 -28.865 1.00 33.35 C ATOM 902 C GLY A 58 0.313 9.437 -27.424 1.00 32.21 C ATOM 903 O GLY A 58 -0.544 10.273 -27.137 1.00 4.20 O ATOM 0 H GLY A 58 2.818 9.081 -28.997 1.00 45.51 H new ATOM 0 HA2 GLY A 58 0.831 10.187 -29.360 1.00 33.35 H new ATOM 0 HA3 GLY A 58 -0.051 8.673 -29.389 1.00 33.35 H new ATOM 907 N LEU A 59 0.917 8.681 -26.515 1.00 62.12 N ATOM 908 CA LEU A 59 0.601 8.792 -25.095 1.00 12.44 C ATOM 909 C LEU A 59 1.335 9.971 -24.463 1.00 51.41 C ATOM 910 O LEU A 59 2.193 10.589 -25.094 1.00 13.31 O ATOM 911 CB LEU A 59 0.971 7.498 -24.367 1.00 0.22 C ATOM 912 CG LEU A 59 -0.155 6.825 -23.580 1.00 50.25 C ATOM 913 CD1 LEU A 59 -1.389 6.655 -24.453 1.00 1.55 C ATOM 914 CD2 LEU A 59 0.305 5.481 -23.035 1.00 50.20 C ATOM 0 H LEU A 59 1.629 7.984 -26.735 1.00 62.12 H new ATOM 0 HA LEU A 59 -0.471 8.962 -25.000 1.00 12.44 H new ATOM 0 HB2 LEU A 59 1.349 6.787 -25.101 1.00 0.22 H new ATOM 0 HB3 LEU A 59 1.790 7.712 -23.680 1.00 0.22 H new ATOM 0 HG LEU A 59 -0.417 7.465 -22.738 1.00 50.25 H new ATOM 0 HD11 LEU A 59 -2.179 6.175 -23.876 1.00 1.55 H new ATOM 0 HD12 LEU A 59 -1.731 7.632 -24.794 1.00 1.55 H new ATOM 0 HD13 LEU A 59 -1.142 6.036 -25.316 1.00 1.55 H new ATOM 0 HD21 LEU A 59 -0.509 5.017 -22.478 1.00 50.20 H new ATOM 0 HD22 LEU A 59 0.595 4.833 -23.862 1.00 50.20 H new ATOM 0 HD23 LEU A 59 1.159 5.629 -22.374 1.00 50.20 H new ATOM 926 N GLU A 60 0.993 10.275 -23.215 1.00 13.01 N ATOM 927 CA GLU A 60 1.621 11.379 -22.499 1.00 5.33 C ATOM 928 C GLU A 60 1.340 11.287 -21.003 1.00 35.33 C ATOM 929 O GLU A 60 0.327 10.727 -20.583 1.00 50.25 O ATOM 930 CB GLU A 60 1.119 12.719 -23.042 1.00 50.33 C ATOM 931 CG GLU A 60 -0.307 13.045 -22.636 1.00 41.10 C ATOM 932 CD GLU A 60 -1.086 13.734 -23.740 1.00 3.12 C ATOM 933 OE1 GLU A 60 -0.879 13.385 -24.920 1.00 2.21 O1- ATOM 934 OE2 GLU A 60 -1.903 14.624 -23.422 1.00 52.34 O ATOM 0 H GLU A 60 0.285 9.773 -22.679 1.00 13.01 H new ATOM 0 HA GLU A 60 2.698 11.313 -22.653 1.00 5.33 H new ATOM 0 HB2 GLU A 60 1.778 13.513 -22.691 1.00 50.33 H new ATOM 0 HB3 GLU A 60 1.184 12.708 -24.130 1.00 50.33 H new ATOM 0 HG2 GLU A 60 -0.820 12.125 -22.354 1.00 41.10 H new ATOM 0 HG3 GLU A 60 -0.292 13.685 -21.754 1.00 41.10 H new ATOM 941 N CYS A 61 2.244 11.841 -20.202 1.00 32.21 N ATOM 942 CA CYS A 61 2.096 11.821 -18.751 1.00 32.23 C ATOM 943 C CYS A 61 0.880 12.635 -18.318 1.00 41.14 C ATOM 944 O CYS A 61 0.964 13.851 -18.144 1.00 25.31 O ATOM 945 CB CYS A 61 3.356 12.371 -18.081 1.00 74.11 C ATOM 946 SG CYS A 61 3.607 11.787 -16.374 1.00 3.45 S ATOM 0 H CYS A 61 3.087 12.310 -20.533 1.00 32.21 H new ATOM 0 HA CYS A 61 1.949 10.787 -18.440 1.00 32.23 H new ATOM 0 HB2 CYS A 61 4.223 12.093 -18.680 1.00 74.11 H new ATOM 0 HB3 CYS A 61 3.307 13.460 -18.077 1.00 74.11 H new ATOM 951 N TRP A 62 -0.248 11.955 -18.144 1.00 31.21 N ATOM 952 CA TRP A 62 -1.482 12.616 -17.731 1.00 62.54 C ATOM 953 C TRP A 62 -1.476 12.889 -16.231 1.00 11.34 C ATOM 954 O TRP A 62 -1.112 12.025 -15.434 1.00 63.25 O ATOM 955 CB TRP A 62 -2.692 11.756 -18.101 1.00 22.53 C ATOM 956 CG TRP A 62 -3.957 12.546 -18.247 1.00 0.54 C ATOM 957 CD1 TRP A 62 -4.080 13.906 -18.246 1.00 53.01 C ATOM 958 CD2 TRP A 62 -5.279 12.022 -18.413 1.00 52.14 C ATOM 959 NE1 TRP A 62 -5.398 14.260 -18.402 1.00 22.43 N ATOM 960 CE2 TRP A 62 -6.155 13.123 -18.508 1.00 12.12 C ATOM 961 CE3 TRP A 62 -5.809 10.732 -18.493 1.00 70.44 C ATOM 962 CZ2 TRP A 62 -7.528 12.969 -18.677 1.00 63.23 C ATOM 963 CZ3 TRP A 62 -7.173 10.581 -18.660 1.00 22.24 C ATOM 964 CH2 TRP A 62 -8.020 11.694 -18.752 1.00 43.24 C ATOM 0 H TRP A 62 -0.334 10.948 -18.282 1.00 31.21 H new ATOM 0 HA TRP A 62 -1.549 13.570 -18.255 1.00 62.54 H new ATOM 0 HB2 TRP A 62 -2.487 11.235 -19.036 1.00 22.53 H new ATOM 0 HB3 TRP A 62 -2.834 10.993 -17.336 1.00 22.53 H new ATOM 0 HD1 TRP A 62 -3.261 14.602 -18.138 1.00 53.01 H new ATOM 0 HE1 TRP A 62 -5.755 15.215 -18.434 1.00 22.43 H new ATOM 0 HE3 TRP A 62 -5.165 9.868 -18.426 1.00 70.44 H new ATOM 0 HZ2 TRP A 62 -8.182 13.826 -18.747 1.00 63.23 H new ATOM 0 HZ3 TRP A 62 -7.593 9.588 -18.721 1.00 22.24 H new ATOM 0 HH2 TRP A 62 -9.081 11.543 -18.885 1.00 43.24 H new ATOM 975 N LYS A 63 -1.883 14.096 -15.852 1.00 23.40 N ATOM 976 CA LYS A 63 -1.926 14.483 -14.447 1.00 52.14 C ATOM 977 C LYS A 63 -3.362 14.503 -13.933 1.00 24.33 C ATOM 978 O LYS A 63 -4.087 15.479 -14.126 1.00 41.02 O ATOM 979 CB LYS A 63 -1.286 15.860 -14.257 1.00 44.12 C ATOM 980 CG LYS A 63 -0.550 16.011 -12.936 1.00 53.51 C ATOM 981 CD LYS A 63 -1.451 16.593 -11.859 1.00 4.40 C ATOM 982 CE LYS A 63 -1.654 18.088 -12.050 1.00 40.12 C ATOM 983 NZ LYS A 63 -0.584 18.883 -11.385 1.00 71.35 N1+ ATOM 0 H LYS A 63 -2.188 14.823 -16.499 1.00 23.40 H new ATOM 0 HA LYS A 63 -1.364 13.745 -13.875 1.00 52.14 H new ATOM 0 HB2 LYS A 63 -0.589 16.044 -15.075 1.00 44.12 H new ATOM 0 HB3 LYS A 63 -2.061 16.624 -14.321 1.00 44.12 H new ATOM 0 HG2 LYS A 63 -0.177 15.039 -12.613 1.00 53.51 H new ATOM 0 HG3 LYS A 63 0.318 16.656 -13.074 1.00 53.51 H new ATOM 0 HD2 LYS A 63 -2.417 16.088 -11.879 1.00 4.40 H new ATOM 0 HD3 LYS A 63 -1.014 16.406 -10.878 1.00 4.40 H new ATOM 0 HE2 LYS A 63 -1.669 18.319 -13.115 1.00 40.12 H new ATOM 0 HE3 LYS A 63 -2.625 18.377 -11.647 1.00 40.12 H new ATOM 0 HZ1 LYS A 63 -0.758 19.897 -11.538 1.00 71.35 H new ATOM 0 HZ2 LYS A 63 -0.586 18.682 -10.365 1.00 71.35 H new ATOM 0 HZ3 LYS A 63 0.340 18.626 -11.787 1.00 71.35 H new ATOM 997 N ARG A 64 -3.766 13.420 -13.276 1.00 23.41 N ATOM 998 CA ARG A 64 -5.114 13.314 -12.733 1.00 20.52 C ATOM 999 C ARG A 64 -5.083 13.230 -11.210 1.00 15.01 C ATOM 1000 O ARG A 64 -4.317 12.455 -10.637 1.00 71.20 O ATOM 1001 CB ARG A 64 -5.823 12.085 -13.308 1.00 61.21 C ATOM 1002 CG ARG A 64 -6.916 12.425 -14.308 1.00 3.44 C ATOM 1003 CD ARG A 64 -7.179 11.269 -15.260 1.00 21.45 C ATOM 1004 NE ARG A 64 -8.384 10.527 -14.900 1.00 4.33 N ATOM 1005 CZ ARG A 64 -8.627 9.283 -15.297 1.00 63.22 C ATOM 1006 NH1 ARG A 64 -7.751 8.645 -16.062 1.00 72.12 N1+ ATOM 1007 NH2 ARG A 64 -9.747 8.674 -14.929 1.00 55.42 N ATOM 0 H ARG A 64 -3.178 12.604 -13.107 1.00 23.41 H new ATOM 0 HA ARG A 64 -5.665 14.210 -13.018 1.00 20.52 H new ATOM 0 HB2 ARG A 64 -5.086 11.444 -13.792 1.00 61.21 H new ATOM 0 HB3 ARG A 64 -6.257 11.510 -12.490 1.00 61.21 H new ATOM 0 HG2 ARG A 64 -7.833 12.675 -13.775 1.00 3.44 H new ATOM 0 HG3 ARG A 64 -6.628 13.308 -14.878 1.00 3.44 H new ATOM 0 HD2 ARG A 64 -7.279 11.651 -16.276 1.00 21.45 H new ATOM 0 HD3 ARG A 64 -6.323 10.594 -15.256 1.00 21.45 H new ATOM 0 HE ARG A 64 -9.077 10.989 -14.311 1.00 4.33 H new ATOM 0 HH11 ARG A 64 -6.889 9.110 -16.347 1.00 72.12 H new ATOM 0 HH12 ARG A 64 -7.940 7.690 -16.366 1.00 72.12 H new ATOM 0 HH21 ARG A 64 -10.423 9.161 -14.340 1.00 55.42 H new ATOM 0 HH22 ARG A 64 -9.932 7.719 -15.235 1.00 55.42 H new ATOM 1021 N SER A 65 -5.920 14.033 -10.561 1.00 20.12 N ATOM 1022 CA SER A 65 -5.984 14.053 -9.104 1.00 63.33 C ATOM 1023 C SER A 65 -7.429 13.950 -8.624 1.00 1.01 C ATOM 1024 O SER A 65 -8.311 14.652 -9.116 1.00 23.41 O ATOM 1025 CB SER A 65 -5.345 15.332 -8.562 1.00 25.02 C ATOM 1026 OG SER A 65 -4.059 15.536 -9.121 1.00 51.35 O ATOM 0 H SER A 65 -6.563 14.678 -11.021 1.00 20.12 H new ATOM 0 HA SER A 65 -5.431 13.192 -8.728 1.00 63.33 H new ATOM 0 HB2 SER A 65 -5.983 16.186 -8.789 1.00 25.02 H new ATOM 0 HB3 SER A 65 -5.268 15.272 -7.476 1.00 25.02 H new ATOM 0 HG SER A 65 -3.672 16.361 -8.760 1.00 51.35 H new ATOM 1032 N GLY A 66 -7.662 13.066 -7.658 1.00 0.14 N ATOM 1033 CA GLY A 66 -9.000 12.885 -7.125 1.00 32.50 C ATOM 1034 C GLY A 66 -9.586 11.532 -7.475 1.00 23.21 C ATOM 1035 O GLY A 66 -10.518 11.063 -6.822 1.00 21.34 O ATOM 0 H GLY A 66 -6.948 12.472 -7.235 1.00 0.14 H new ATOM 0 HA2 GLY A 66 -8.974 12.997 -6.041 1.00 32.50 H new ATOM 0 HA3 GLY A 66 -9.651 13.670 -7.511 1.00 32.50 H new ATOM 1039 N ASN A 67 -9.037 10.900 -8.509 1.00 74.50 N ATOM 1040 CA ASN A 67 -9.513 9.593 -8.945 1.00 52.31 C ATOM 1041 C ASN A 67 -8.467 8.516 -8.675 1.00 13.21 C ATOM 1042 O ASN A 67 -8.768 7.472 -8.097 1.00 42.14 O ATOM 1043 CB ASN A 67 -9.857 9.624 -10.436 1.00 3.14 C ATOM 1044 CG ASN A 67 -11.204 10.264 -10.705 1.00 15.32 C ATOM 1045 OD1 ASN A 67 -12.221 9.861 -10.138 1.00 62.04 O ATOM 1046 ND2 ASN A 67 -11.219 11.268 -11.574 1.00 50.12 N ATOM 0 H ASN A 67 -8.263 11.272 -9.059 1.00 74.50 H new ATOM 0 HA ASN A 67 -10.411 9.352 -8.377 1.00 52.31 H new ATOM 0 HB2 ASN A 67 -9.083 10.173 -10.973 1.00 3.14 H new ATOM 0 HB3 ASN A 67 -9.856 8.607 -10.827 1.00 3.14 H new ATOM 0 HD21 ASN A 67 -12.097 11.738 -11.795 1.00 50.12 H new ATOM 0 HD22 ASN A 67 -10.353 11.569 -12.020 1.00 50.12 H new ATOM 1053 N LYS A 68 -7.234 8.778 -9.097 1.00 13.24 N ATOM 1054 CA LYS A 68 -6.141 7.833 -8.900 1.00 70.13 C ATOM 1055 C LYS A 68 -4.792 8.505 -9.139 1.00 24.21 C ATOM 1056 O LYS A 68 -4.727 9.691 -9.461 1.00 24.20 O ATOM 1057 CB LYS A 68 -6.299 6.635 -9.839 1.00 61.12 C ATOM 1058 CG LYS A 68 -7.005 5.451 -9.200 1.00 42.15 C ATOM 1059 CD LYS A 68 -6.627 4.145 -9.878 1.00 51.10 C ATOM 1060 CE LYS A 68 -7.630 3.045 -9.567 1.00 54.14 C ATOM 1061 NZ LYS A 68 -7.411 1.839 -10.413 1.00 5.22 N1+ ATOM 0 H LYS A 68 -6.967 9.637 -9.578 1.00 13.24 H new ATOM 0 HA LYS A 68 -6.177 7.485 -7.868 1.00 70.13 H new ATOM 0 HB2 LYS A 68 -6.857 6.947 -10.722 1.00 61.12 H new ATOM 0 HB3 LYS A 68 -5.313 6.319 -10.180 1.00 61.12 H new ATOM 0 HG2 LYS A 68 -6.748 5.401 -8.142 1.00 42.15 H new ATOM 0 HG3 LYS A 68 -8.084 5.594 -9.259 1.00 42.15 H new ATOM 0 HD2 LYS A 68 -6.573 4.296 -10.956 1.00 51.10 H new ATOM 0 HD3 LYS A 68 -5.634 3.837 -9.549 1.00 51.10 H new ATOM 0 HE2 LYS A 68 -7.552 2.770 -8.515 1.00 54.14 H new ATOM 0 HE3 LYS A 68 -8.641 3.420 -9.725 1.00 54.14 H new ATOM 0 HZ1 LYS A 68 -8.115 1.112 -10.171 1.00 5.22 H new ATOM 0 HZ2 LYS A 68 -7.510 2.096 -11.416 1.00 5.22 H new ATOM 0 HZ3 LYS A 68 -6.455 1.465 -10.244 1.00 5.22 H new ATOM 1075 N SER A 69 -3.718 7.738 -8.980 1.00 71.50 N ATOM 1076 CA SER A 69 -2.370 8.260 -9.176 1.00 14.31 C ATOM 1077 C SER A 69 -2.197 8.796 -10.594 1.00 24.23 C ATOM 1078 O SER A 69 -3.112 8.724 -11.414 1.00 73.23 O ATOM 1079 CB SER A 69 -1.333 7.169 -8.900 1.00 24.24 C ATOM 1080 OG SER A 69 -0.944 7.168 -7.538 1.00 64.42 O ATOM 0 H SER A 69 -3.755 6.753 -8.716 1.00 71.50 H new ATOM 0 HA SER A 69 -2.218 9.081 -8.475 1.00 14.31 H new ATOM 0 HB2 SER A 69 -1.746 6.195 -9.164 1.00 24.24 H new ATOM 0 HB3 SER A 69 -0.458 7.326 -9.531 1.00 24.24 H new ATOM 0 HG SER A 69 -0.282 6.461 -7.387 1.00 64.42 H new ATOM 1086 N SER A 70 -1.015 9.334 -10.876 1.00 24.02 N ATOM 1087 CA SER A 70 -0.719 9.886 -12.193 1.00 70.11 C ATOM 1088 C SER A 70 -0.635 8.780 -13.240 1.00 12.53 C ATOM 1089 O SER A 70 0.178 7.863 -13.126 1.00 34.55 O ATOM 1090 CB SER A 70 0.593 10.672 -12.157 1.00 35.12 C ATOM 1091 OG SER A 70 1.708 9.810 -12.305 1.00 4.53 O ATOM 0 H SER A 70 -0.246 9.399 -10.209 1.00 24.02 H new ATOM 0 HA SER A 70 -1.530 10.560 -12.468 1.00 70.11 H new ATOM 0 HB2 SER A 70 0.597 11.416 -12.953 1.00 35.12 H new ATOM 0 HB3 SER A 70 0.671 11.213 -11.214 1.00 35.12 H new ATOM 0 HG SER A 70 1.407 8.878 -12.278 1.00 4.53 H new ATOM 1097 N VAL A 71 -1.483 8.872 -14.259 1.00 24.14 N ATOM 1098 CA VAL A 71 -1.505 7.881 -15.328 1.00 51.23 C ATOM 1099 C VAL A 71 -1.188 8.518 -16.676 1.00 35.12 C ATOM 1100 O VAL A 71 -0.987 9.730 -16.770 1.00 54.32 O ATOM 1101 CB VAL A 71 -2.874 7.180 -15.414 1.00 54.41 C ATOM 1102 CG1 VAL A 71 -3.067 6.239 -14.234 1.00 13.52 C ATOM 1103 CG2 VAL A 71 -3.995 8.205 -15.478 1.00 25.23 C ATOM 0 H VAL A 71 -2.164 9.623 -14.367 1.00 24.14 H new ATOM 0 HA VAL A 71 -0.740 7.142 -15.090 1.00 51.23 H new ATOM 0 HB VAL A 71 -2.902 6.588 -16.329 1.00 54.41 H new ATOM 0 HG11 VAL A 71 -4.039 5.753 -14.312 1.00 13.52 H new ATOM 0 HG12 VAL A 71 -2.282 5.483 -14.239 1.00 13.52 H new ATOM 0 HG13 VAL A 71 -3.018 6.806 -13.305 1.00 13.52 H new ATOM 0 HG21 VAL A 71 -4.955 7.691 -15.538 1.00 25.23 H new ATOM 0 HG22 VAL A 71 -3.972 8.826 -14.583 1.00 25.23 H new ATOM 0 HG23 VAL A 71 -3.864 8.833 -16.359 1.00 25.23 H new ATOM 1113 N CYS A 72 -1.143 7.696 -17.717 1.00 12.23 N ATOM 1114 CA CYS A 72 -0.850 8.177 -19.062 1.00 12.45 C ATOM 1115 C CYS A 72 -2.121 8.246 -19.904 1.00 40.11 C ATOM 1116 O CYS A 72 -3.093 7.538 -19.639 1.00 33.42 O ATOM 1117 CB CYS A 72 0.176 7.268 -19.740 1.00 45.13 C ATOM 1118 SG CYS A 72 1.794 8.056 -20.025 1.00 32.40 S ATOM 0 H CYS A 72 -1.306 6.691 -17.656 1.00 12.23 H new ATOM 0 HA CYS A 72 -0.435 9.182 -18.979 1.00 12.45 H new ATOM 0 HB2 CYS A 72 0.320 6.379 -19.126 1.00 45.13 H new ATOM 0 HB3 CYS A 72 -0.227 6.933 -20.696 1.00 45.13 H new ATOM 1123 N ALA A 73 -2.104 9.100 -20.921 1.00 13.24 N ATOM 1124 CA ALA A 73 -3.253 9.260 -21.804 1.00 74.50 C ATOM 1125 C ALA A 73 -2.810 9.580 -23.228 1.00 24.12 C ATOM 1126 O ALA A 73 -1.732 10.127 -23.461 1.00 21.35 O ATOM 1127 CB ALA A 73 -4.176 10.349 -21.278 1.00 34.14 C ATOM 0 H ALA A 73 -1.307 9.692 -21.154 1.00 13.24 H new ATOM 0 HA ALA A 73 -3.799 8.317 -21.825 1.00 74.50 H new ATOM 0 HB1 ALA A 73 -5.029 10.457 -21.947 1.00 34.14 H new ATOM 0 HB2 ALA A 73 -4.528 10.078 -20.282 1.00 34.14 H new ATOM 0 HB3 ALA A 73 -3.633 11.293 -21.227 1.00 34.14 H new ATOM 1133 N PRO A 74 -3.662 9.233 -24.205 1.00 1.12 N ATOM 1134 CA PRO A 74 -3.379 9.474 -25.623 1.00 3.31 C ATOM 1135 C PRO A 74 -3.422 10.955 -25.979 1.00 22.40 C ATOM 1136 O PRO A 74 -3.746 11.796 -25.139 1.00 42.32 O ATOM 1137 CB PRO A 74 -4.500 8.719 -26.342 1.00 34.51 C ATOM 1138 CG PRO A 74 -5.614 8.666 -25.353 1.00 43.20 C ATOM 1139 CD PRO A 74 -4.964 8.578 -24.001 1.00 71.33 C ATOM 0 HA PRO A 74 -2.378 9.144 -25.900 1.00 3.31 H new ATOM 0 HB2 PRO A 74 -4.803 9.234 -27.253 1.00 34.51 H new ATOM 0 HB3 PRO A 74 -4.181 7.718 -26.633 1.00 34.51 H new ATOM 0 HG2 PRO A 74 -6.243 9.553 -25.426 1.00 43.20 H new ATOM 0 HG3 PRO A 74 -6.256 7.804 -25.534 1.00 43.20 H new ATOM 0 HD2 PRO A 74 -5.554 9.086 -23.238 1.00 71.33 H new ATOM 0 HD3 PRO A 74 -4.847 7.544 -23.678 1.00 71.33 H new ATOM 1147 N ILE A 75 -3.095 11.270 -27.228 1.00 63.22 N ATOM 1148 CA ILE A 75 -3.098 12.651 -27.695 1.00 21.04 C ATOM 1149 C ILE A 75 -4.455 13.306 -27.463 1.00 1.24 C ATOM 1150 O ILE A 75 -5.487 12.633 -27.445 1.00 71.12 O ATOM 1151 CB ILE A 75 -2.745 12.740 -29.191 1.00 11.12 C ATOM 1152 CG1 ILE A 75 -3.574 11.736 -29.994 1.00 51.41 C ATOM 1153 CG2 ILE A 75 -1.258 12.495 -29.400 1.00 51.24 C ATOM 1154 CD1 ILE A 75 -3.658 12.064 -31.468 1.00 54.32 C ATOM 0 H ILE A 75 -2.824 10.587 -27.935 1.00 63.22 H new ATOM 0 HA ILE A 75 -2.339 13.181 -27.120 1.00 21.04 H new ATOM 0 HB ILE A 75 -2.981 13.743 -29.546 1.00 11.12 H new ATOM 0 HG12 ILE A 75 -3.142 10.743 -29.875 1.00 51.41 H new ATOM 0 HG13 ILE A 75 -4.582 11.696 -29.581 1.00 51.41 H new ATOM 0 HG21 ILE A 75 -1.024 12.561 -30.463 1.00 51.24 H new ATOM 0 HG22 ILE A 75 -0.685 13.246 -28.855 1.00 51.24 H new ATOM 0 HG23 ILE A 75 -0.998 11.502 -29.032 1.00 51.24 H new ATOM 0 HD11 ILE A 75 -4.261 11.310 -31.975 1.00 54.32 H new ATOM 0 HD12 ILE A 75 -4.118 13.044 -31.597 1.00 54.32 H new ATOM 0 HD13 ILE A 75 -2.656 12.075 -31.896 1.00 54.32 H new ATOM 1166 N THR A 76 -4.449 14.623 -27.290 1.00 52.02 N ATOM 1167 CA THR A 76 -5.679 15.371 -27.060 1.00 31.24 C ATOM 1168 C THR A 76 -6.641 14.587 -26.174 1.00 33.21 C ATOM 1169 O THR A 76 -7.727 15.066 -25.844 1.00 71.35 O ATOM 1170 CB THR A 76 -6.384 15.711 -28.387 1.00 2.31 C ATOM 1171 OG1 THR A 76 -7.455 16.632 -28.150 1.00 24.25 O ATOM 1172 CG2 THR A 76 -6.927 14.455 -29.050 1.00 61.00 C ATOM 0 H THR A 76 -3.605 15.195 -27.305 1.00 52.02 H new ATOM 0 HA THR A 76 -5.398 16.296 -26.557 1.00 31.24 H new ATOM 0 HB THR A 76 -5.653 16.167 -29.054 1.00 2.31 H new ATOM 0 HG1 THR A 76 -7.856 16.450 -27.274 1.00 24.25 H new ATOM 0 HG21 THR A 76 -7.420 14.721 -29.985 1.00 61.00 H new ATOM 0 HG22 THR A 76 -6.106 13.768 -29.256 1.00 61.00 H new ATOM 0 HG23 THR A 76 -7.645 13.974 -28.385 1.00 61.00 H new TER 1180 THR A 76