USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=12 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+ -167:sc=-0.00712 (180deg=-0.186) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 ASN : amide:sc= 0.208 X(o=0.21,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 64:sc= 0.32 USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00289) USER MOD Single : A 16 ASN : amide:sc= -0.105 X(o=-0.1,f=-0.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0434) USER MOD Single : A 29 HIS : no HD1:sc= -0.134 X(o=-0.13,f=-0.048) 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= -0.0562 K(o=-0.056,f=-1.1) 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=-0.013) USER MOD Single : A 68 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0108) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0.0542 USER MOD Single : A 76 THR OG1 : rot 38:sc= 0.629 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.930 -1.978 -1.491 1.00 72.21 N ATOM 2 CA SER A 1 3.323 -2.397 -0.151 1.00 21.12 C ATOM 3 C SER A 1 4.831 -2.263 0.040 1.00 45.33 C ATOM 4 O SER A 1 5.304 -1.942 1.130 1.00 4.45 O ATOM 5 CB SER A 1 2.893 -3.844 0.102 1.00 10.44 C ATOM 6 OG SER A 1 1.498 -4.001 -0.092 1.00 60.43 O ATOM 0 H1 SER A 1 1.897 -1.866 -1.531 1.00 72.21 H new ATOM 0 H2 SER A 1 3.385 -1.071 -1.719 1.00 72.21 H new ATOM 0 H3 SER A 1 3.227 -2.697 -2.181 1.00 72.21 H new ATOM 0 HA SER A 1 2.823 -1.746 0.567 1.00 21.12 H new ATOM 0 HB2 SER A 1 3.434 -4.511 -0.569 1.00 10.44 H new ATOM 0 HB3 SER A 1 3.157 -4.133 1.119 1.00 10.44 H new ATOM 0 HG SER A 1 1.248 -4.934 0.074 1.00 60.43 H new ATOM 12 N ASN A 2 5.581 -2.512 -1.029 1.00 23.30 N ATOM 13 CA ASN A 2 7.036 -2.420 -0.980 1.00 5.33 C ATOM 14 C ASN A 2 7.615 -2.221 -2.377 1.00 74.30 C ATOM 15 O ASN A 2 6.913 -2.367 -3.377 1.00 40.12 O ATOM 16 CB ASN A 2 7.626 -3.681 -0.346 1.00 13.33 C ATOM 17 CG ASN A 2 6.964 -4.948 -0.852 1.00 3.04 C ATOM 18 OD1 ASN A 2 6.034 -5.464 -0.234 1.00 33.21 O ATOM 19 ND2 ASN A 2 7.443 -5.454 -1.983 1.00 61.32 N ATOM 0 H ASN A 2 5.206 -2.779 -1.939 1.00 23.30 H new ATOM 0 HA ASN A 2 7.301 -1.557 -0.370 1.00 5.33 H new ATOM 0 HB2 ASN A 2 8.695 -3.724 -0.556 1.00 13.33 H new ATOM 0 HB3 ASN A 2 7.516 -3.625 0.737 1.00 13.33 H new ATOM 0 HD21 ASN A 2 7.038 -6.305 -2.373 1.00 61.32 H new ATOM 0 HD22 ASN A 2 8.216 -4.992 -2.461 1.00 61.32 H new ATOM 26 N GLU A 3 8.901 -1.887 -2.437 1.00 13.45 N ATOM 27 CA GLU A 3 9.574 -1.668 -3.712 1.00 73.43 C ATOM 28 C GLU A 3 9.671 -2.967 -4.506 1.00 44.23 C ATOM 29 O GLU A 3 9.394 -4.048 -3.986 1.00 60.13 O ATOM 30 CB GLU A 3 10.972 -1.091 -3.482 1.00 22.32 C ATOM 31 CG GLU A 3 11.946 -2.081 -2.866 1.00 15.25 C ATOM 32 CD GLU A 3 12.524 -1.590 -1.553 1.00 55.13 C ATOM 33 OE1 GLU A 3 13.386 -0.687 -1.585 1.00 21.11 O1- ATOM 34 OE2 GLU A 3 12.114 -2.110 -0.494 1.00 20.33 O ATOM 0 H GLU A 3 9.497 -1.762 -1.618 1.00 13.45 H new ATOM 0 HA GLU A 3 8.985 -0.955 -4.288 1.00 73.43 H new ATOM 0 HB2 GLU A 3 11.374 -0.744 -4.434 1.00 22.32 H new ATOM 0 HB3 GLU A 3 10.894 -0.219 -2.832 1.00 22.32 H new ATOM 0 HG2 GLU A 3 11.438 -3.031 -2.702 1.00 15.25 H new ATOM 0 HG3 GLU A 3 12.758 -2.271 -3.568 1.00 15.25 H new ATOM 41 N CYS A 4 10.067 -2.853 -5.769 1.00 52.22 N ATOM 42 CA CYS A 4 10.201 -4.016 -6.637 1.00 21.31 C ATOM 43 C CYS A 4 11.665 -4.427 -6.775 1.00 74.32 C ATOM 44 O CYS A 4 12.562 -3.739 -6.286 1.00 44.11 O ATOM 45 CB CYS A 4 9.611 -3.721 -8.017 1.00 51.15 C ATOM 46 SG CYS A 4 10.473 -2.398 -8.927 1.00 11.12 S ATOM 0 H CYS A 4 10.301 -1.966 -6.214 1.00 52.22 H new ATOM 0 HA CYS A 4 9.651 -4.841 -6.183 1.00 21.31 H new ATOM 0 HB2 CYS A 4 9.636 -4.633 -8.613 1.00 51.15 H new ATOM 0 HB3 CYS A 4 8.563 -3.444 -7.901 1.00 51.15 H new ATOM 51 N ILE A 5 11.898 -5.551 -7.444 1.00 31.52 N ATOM 52 CA ILE A 5 13.252 -6.052 -7.647 1.00 72.10 C ATOM 53 C ILE A 5 13.997 -5.215 -8.682 1.00 53.01 C ATOM 54 O ILE A 5 13.451 -4.876 -9.731 1.00 4.05 O ATOM 55 CB ILE A 5 13.245 -7.524 -8.102 1.00 12.53 C ATOM 56 CG1 ILE A 5 12.551 -8.399 -7.056 1.00 62.43 C ATOM 57 CG2 ILE A 5 14.666 -8.008 -8.347 1.00 31.52 C ATOM 58 CD1 ILE A 5 11.680 -9.481 -7.657 1.00 31.22 C ATOM 0 H ILE A 5 11.167 -6.132 -7.855 1.00 31.52 H new ATOM 0 HA ILE A 5 13.764 -5.980 -6.687 1.00 72.10 H new ATOM 0 HB ILE A 5 12.690 -7.599 -9.037 1.00 12.53 H new ATOM 0 HG12 ILE A 5 13.307 -8.862 -6.422 1.00 62.43 H new ATOM 0 HG13 ILE A 5 11.939 -7.767 -6.413 1.00 62.43 H new ATOM 0 HG21 ILE A 5 14.645 -9.050 -8.668 1.00 31.52 H new ATOM 0 HG22 ILE A 5 15.129 -7.398 -9.123 1.00 31.52 H new ATOM 0 HG23 ILE A 5 15.243 -7.923 -7.426 1.00 31.52 H new ATOM 0 HD11 ILE A 5 11.219 -10.063 -6.859 1.00 31.22 H new ATOM 0 HD12 ILE A 5 10.902 -9.024 -8.268 1.00 31.22 H new ATOM 0 HD13 ILE A 5 12.291 -10.137 -8.278 1.00 31.22 H new ATOM 70 N ARG A 6 15.249 -4.888 -8.379 1.00 34.14 N ATOM 71 CA ARG A 6 16.070 -4.092 -9.282 1.00 41.52 C ATOM 72 C ARG A 6 16.304 -4.830 -10.598 1.00 31.32 C ATOM 73 O ARG A 6 16.030 -6.026 -10.708 1.00 14.52 O ATOM 74 CB ARG A 6 17.412 -3.759 -8.627 1.00 30.43 C ATOM 75 CG ARG A 6 17.292 -2.825 -7.434 1.00 22.22 C ATOM 76 CD ARG A 6 17.081 -3.597 -6.141 1.00 30.33 C ATOM 77 NE ARG A 6 17.537 -2.845 -4.975 1.00 51.53 N ATOM 78 CZ ARG A 6 17.413 -3.280 -3.726 1.00 44.12 C ATOM 79 NH1 ARG A 6 16.852 -4.457 -3.483 1.00 51.33 N1+ ATOM 80 NH2 ARG A 6 17.853 -2.538 -2.717 1.00 11.21 N ATOM 0 H ARG A 6 15.717 -5.162 -7.515 1.00 34.14 H new ATOM 0 HA ARG A 6 15.537 -3.165 -9.494 1.00 41.52 H new ATOM 0 HB2 ARG A 6 17.890 -4.685 -8.306 1.00 30.43 H new ATOM 0 HB3 ARG A 6 18.066 -3.303 -9.370 1.00 30.43 H new ATOM 0 HG2 ARG A 6 18.194 -2.218 -7.354 1.00 22.22 H new ATOM 0 HG3 ARG A 6 16.459 -2.139 -7.590 1.00 22.22 H new ATOM 0 HD2 ARG A 6 16.023 -3.834 -6.029 1.00 30.33 H new ATOM 0 HD3 ARG A 6 17.616 -4.545 -6.193 1.00 30.33 H new ATOM 0 HE ARG A 6 17.974 -1.936 -5.128 1.00 51.53 H new ATOM 0 HH11 ARG A 6 16.515 -5.030 -4.256 1.00 51.33 H new ATOM 0 HH12 ARG A 6 16.758 -4.789 -2.523 1.00 51.33 H new ATOM 0 HH21 ARG A 6 18.287 -1.633 -2.901 1.00 11.21 H new ATOM 0 HH22 ARG A 6 17.757 -2.873 -1.758 1.00 11.21 H new ATOM 94 N LYS A 7 16.812 -4.110 -11.592 1.00 12.45 N ATOM 95 CA LYS A 7 17.085 -4.696 -12.900 1.00 74.33 C ATOM 96 C LYS A 7 18.420 -5.432 -12.899 1.00 3.13 C ATOM 97 O LYS A 7 19.376 -5.003 -12.254 1.00 45.21 O ATOM 98 CB LYS A 7 17.090 -3.608 -13.976 1.00 25.23 C ATOM 99 CG LYS A 7 17.371 -4.136 -15.373 1.00 71.33 C ATOM 100 CD LYS A 7 17.676 -3.009 -16.345 1.00 42.04 C ATOM 101 CE LYS A 7 16.462 -2.118 -16.562 1.00 22.14 C ATOM 102 NZ LYS A 7 16.817 -0.866 -17.286 1.00 43.20 N1+ ATOM 0 H LYS A 7 17.043 -3.119 -11.517 1.00 12.45 H new ATOM 0 HA LYS A 7 16.296 -5.414 -13.121 1.00 74.33 H new ATOM 0 HB2 LYS A 7 16.124 -3.103 -13.975 1.00 25.23 H new ATOM 0 HB3 LYS A 7 17.841 -2.860 -13.721 1.00 25.23 H new ATOM 0 HG2 LYS A 7 18.214 -4.826 -15.339 1.00 71.33 H new ATOM 0 HG3 LYS A 7 16.510 -4.702 -15.729 1.00 71.33 H new ATOM 0 HD2 LYS A 7 18.504 -2.412 -15.963 1.00 42.04 H new ATOM 0 HD3 LYS A 7 17.998 -3.427 -17.299 1.00 42.04 H new ATOM 0 HE2 LYS A 7 15.707 -2.664 -17.128 1.00 22.14 H new ATOM 0 HE3 LYS A 7 16.018 -1.867 -15.598 1.00 22.14 H new ATOM 0 HZ1 LYS A 7 15.964 -0.286 -17.415 1.00 43.20 H new ATOM 0 HZ2 LYS A 7 17.519 -0.333 -16.734 1.00 43.20 H new ATOM 0 HZ3 LYS A 7 17.217 -1.104 -18.216 1.00 43.20 H new ATOM 116 N TRP A 8 18.479 -6.541 -13.628 1.00 12.14 N ATOM 117 CA TRP A 8 19.699 -7.336 -13.711 1.00 60.14 C ATOM 118 C TRP A 8 20.191 -7.728 -12.322 1.00 43.13 C ATOM 119 O TRP A 8 21.354 -7.510 -11.981 1.00 71.13 O ATOM 120 CB TRP A 8 20.789 -6.559 -14.452 1.00 3.43 C ATOM 121 CG TRP A 8 20.653 -6.620 -15.943 1.00 52.22 C ATOM 122 CD1 TRP A 8 20.220 -5.621 -16.767 1.00 3.11 C ATOM 123 CD2 TRP A 8 20.949 -7.739 -16.785 1.00 13.05 C ATOM 124 NE1 TRP A 8 20.230 -6.051 -18.072 1.00 62.13 N ATOM 125 CE2 TRP A 8 20.674 -7.347 -18.110 1.00 53.22 C ATOM 126 CE3 TRP A 8 21.423 -9.032 -16.550 1.00 2.53 C ATOM 127 CZ2 TRP A 8 20.856 -8.204 -19.192 1.00 42.03 C ATOM 128 CZ3 TRP A 8 21.602 -9.882 -17.625 1.00 23.11 C ATOM 129 CH2 TRP A 8 21.320 -9.464 -18.933 1.00 64.05 C ATOM 0 H TRP A 8 17.697 -6.910 -14.170 1.00 12.14 H new ATOM 0 HA TRP A 8 19.472 -8.247 -14.265 1.00 60.14 H new ATOM 0 HB2 TRP A 8 20.762 -5.517 -14.134 1.00 3.43 H new ATOM 0 HB3 TRP A 8 21.764 -6.954 -14.167 1.00 3.43 H new ATOM 0 HD1 TRP A 8 19.915 -4.638 -16.441 1.00 3.11 H new ATOM 0 HE1 TRP A 8 19.952 -5.496 -18.881 1.00 62.13 H new ATOM 0 HE3 TRP A 8 21.646 -9.362 -15.546 1.00 2.53 H new ATOM 0 HZ2 TRP A 8 20.638 -7.885 -20.201 1.00 42.03 H new ATOM 0 HZ3 TRP A 8 21.965 -10.885 -17.455 1.00 23.11 H new ATOM 0 HH2 TRP A 8 21.472 -10.151 -19.752 1.00 64.05 H new ATOM 140 N LEU A 9 19.299 -8.306 -11.525 1.00 24.33 N ATOM 141 CA LEU A 9 19.643 -8.728 -10.172 1.00 13.42 C ATOM 142 C LEU A 9 19.314 -10.202 -9.961 1.00 32.14 C ATOM 143 O LEU A 9 20.210 -11.030 -9.793 1.00 32.51 O ATOM 144 CB LEU A 9 18.895 -7.875 -9.144 1.00 64.42 C ATOM 145 CG LEU A 9 19.129 -8.233 -7.676 1.00 13.01 C ATOM 146 CD1 LEU A 9 20.601 -8.086 -7.319 1.00 21.52 C ATOM 147 CD2 LEU A 9 18.269 -7.364 -6.772 1.00 2.10 C ATOM 0 H LEU A 9 18.333 -8.493 -11.792 1.00 24.33 H new ATOM 0 HA LEU A 9 20.716 -8.591 -10.037 1.00 13.42 H new ATOM 0 HB2 LEU A 9 19.177 -6.833 -9.292 1.00 64.42 H new ATOM 0 HB3 LEU A 9 17.827 -7.948 -9.349 1.00 64.42 H new ATOM 0 HG LEU A 9 18.842 -9.274 -7.525 1.00 13.01 H new ATOM 0 HD11 LEU A 9 20.749 -8.345 -6.271 1.00 21.52 H new ATOM 0 HD12 LEU A 9 21.195 -8.752 -7.944 1.00 21.52 H new ATOM 0 HD13 LEU A 9 20.915 -7.056 -7.486 1.00 21.52 H new ATOM 0 HD21 LEU A 9 18.449 -7.633 -5.731 1.00 2.10 H new ATOM 0 HD22 LEU A 9 18.524 -6.315 -6.925 1.00 2.10 H new ATOM 0 HD23 LEU A 9 17.217 -7.520 -7.011 1.00 2.10 H new ATOM 159 N SER A 10 18.025 -10.523 -9.973 1.00 45.25 N ATOM 160 CA SER A 10 17.578 -11.898 -9.781 1.00 64.14 C ATOM 161 C SER A 10 16.056 -11.987 -9.840 1.00 64.00 C ATOM 162 O SER A 10 15.352 -11.276 -9.123 1.00 53.42 O ATOM 163 CB SER A 10 18.080 -12.439 -8.441 1.00 54.12 C ATOM 164 OG SER A 10 18.703 -13.701 -8.601 1.00 65.41 O ATOM 0 H SER A 10 17.271 -9.850 -10.114 1.00 45.25 H new ATOM 0 HA SER A 10 17.992 -12.504 -10.587 1.00 64.14 H new ATOM 0 HB2 SER A 10 18.787 -11.734 -8.003 1.00 54.12 H new ATOM 0 HB3 SER A 10 17.245 -12.528 -7.746 1.00 54.12 H new ATOM 0 HG SER A 10 19.506 -13.602 -9.153 1.00 65.41 H new ATOM 170 N CYS A 11 15.553 -12.867 -10.700 1.00 71.34 N ATOM 171 CA CYS A 11 14.116 -13.052 -10.856 1.00 40.34 C ATOM 172 C CYS A 11 13.637 -14.275 -10.079 1.00 4.42 C ATOM 173 O CYS A 11 12.436 -14.494 -9.924 1.00 25.34 O ATOM 174 CB CYS A 11 13.756 -13.200 -12.336 1.00 32.52 C ATOM 175 SG CYS A 11 14.513 -14.647 -13.143 1.00 22.00 S ATOM 0 H CYS A 11 16.122 -13.464 -11.300 1.00 71.34 H new ATOM 0 HA CYS A 11 13.616 -12.170 -10.455 1.00 40.34 H new ATOM 0 HB2 CYS A 11 12.672 -13.270 -12.430 1.00 32.52 H new ATOM 0 HB3 CYS A 11 14.064 -12.299 -12.866 1.00 32.52 H new ATOM 180 N VAL A 12 14.587 -15.069 -9.593 1.00 1.33 N ATOM 181 CA VAL A 12 14.263 -16.269 -8.832 1.00 2.34 C ATOM 182 C VAL A 12 13.275 -15.961 -7.711 1.00 65.54 C ATOM 183 O VAL A 12 12.463 -16.805 -7.336 1.00 52.14 O ATOM 184 CB VAL A 12 15.527 -16.907 -8.225 1.00 70.43 C ATOM 185 CG1 VAL A 12 15.185 -18.218 -7.534 1.00 73.24 C ATOM 186 CG2 VAL A 12 16.583 -17.121 -9.299 1.00 54.01 C ATOM 0 H VAL A 12 15.586 -14.902 -9.713 1.00 1.33 H new ATOM 0 HA VAL A 12 13.808 -16.972 -9.530 1.00 2.34 H new ATOM 0 HB VAL A 12 15.934 -16.226 -7.478 1.00 70.43 H new ATOM 0 HG11 VAL A 12 16.090 -18.654 -7.112 1.00 73.24 H new ATOM 0 HG12 VAL A 12 14.466 -18.032 -6.737 1.00 73.24 H new ATOM 0 HG13 VAL A 12 14.754 -18.909 -8.258 1.00 73.24 H new ATOM 0 HG21 VAL A 12 17.469 -17.572 -8.853 1.00 54.01 H new ATOM 0 HG22 VAL A 12 16.188 -17.782 -10.071 1.00 54.01 H new ATOM 0 HG23 VAL A 12 16.849 -16.162 -9.744 1.00 54.01 H new ATOM 196 N ASP A 13 13.351 -14.744 -7.183 1.00 50.12 N ATOM 197 CA ASP A 13 12.463 -14.322 -6.106 1.00 21.44 C ATOM 198 C ASP A 13 11.323 -13.463 -6.647 1.00 13.52 C ATOM 199 O ASP A 13 11.498 -12.270 -6.897 1.00 20.24 O ATOM 200 CB ASP A 13 13.245 -13.544 -5.046 1.00 4.14 C ATOM 201 CG ASP A 13 12.602 -13.629 -3.675 1.00 12.14 C ATOM 202 OD1 ASP A 13 11.764 -14.530 -3.467 1.00 63.11 O ATOM 203 OD2 ASP A 13 12.939 -12.793 -2.811 1.00 51.22 O1- ATOM 0 H ASP A 13 14.018 -14.033 -7.483 1.00 50.12 H new ATOM 0 HA ASP A 13 12.037 -15.215 -5.649 1.00 21.44 H new ATOM 0 HB2 ASP A 13 14.262 -13.931 -4.992 1.00 4.14 H new ATOM 0 HB3 ASP A 13 13.317 -12.499 -5.346 1.00 4.14 H new ATOM 208 N ARG A 14 10.159 -14.078 -6.825 1.00 34.15 N ATOM 209 CA ARG A 14 8.993 -13.370 -7.338 1.00 11.34 C ATOM 210 C ARG A 14 9.239 -12.873 -8.759 1.00 1.34 C ATOM 211 O ARG A 14 9.203 -11.672 -9.023 1.00 5.14 O ATOM 212 CB ARG A 14 8.643 -12.192 -6.428 1.00 44.02 C ATOM 213 CG ARG A 14 8.578 -12.559 -4.953 1.00 11.43 C ATOM 214 CD ARG A 14 8.478 -11.321 -4.076 1.00 33.34 C ATOM 215 NE ARG A 14 7.830 -11.607 -2.798 1.00 31.23 N ATOM 216 CZ ARG A 14 7.491 -10.670 -1.920 1.00 33.30 C ATOM 217 NH1 ARG A 14 7.735 -9.393 -2.181 1.00 64.12 N1+ ATOM 218 NH2 ARG A 14 6.905 -11.010 -0.779 1.00 13.11 N ATOM 0 H ARG A 14 9.998 -15.065 -6.622 1.00 34.15 H new ATOM 0 HA ARG A 14 8.156 -14.068 -7.356 1.00 11.34 H new ATOM 0 HB2 ARG A 14 9.384 -11.405 -6.565 1.00 44.02 H new ATOM 0 HB3 ARG A 14 7.681 -11.781 -6.734 1.00 44.02 H new ATOM 0 HG2 ARG A 14 7.717 -13.203 -4.775 1.00 11.43 H new ATOM 0 HG3 ARG A 14 9.465 -13.130 -4.679 1.00 11.43 H new ATOM 0 HD2 ARG A 14 9.477 -10.923 -3.895 1.00 33.34 H new ATOM 0 HD3 ARG A 14 7.917 -10.548 -4.602 1.00 33.34 H new ATOM 0 HE ARG A 14 7.627 -12.580 -2.568 1.00 31.23 H new ATOM 0 HH11 ARG A 14 8.184 -9.128 -3.058 1.00 64.12 H new ATOM 0 HH12 ARG A 14 7.474 -8.675 -1.505 1.00 64.12 H new ATOM 0 HH21 ARG A 14 6.715 -11.991 -0.576 1.00 13.11 H new ATOM 0 HH22 ARG A 14 6.645 -10.290 -0.105 1.00 13.11 H new ATOM 232 N LYS A 15 9.491 -13.807 -9.671 1.00 52.10 N ATOM 233 CA LYS A 15 9.744 -13.465 -11.066 1.00 21.15 C ATOM 234 C LYS A 15 8.561 -12.711 -11.664 1.00 23.41 C ATOM 235 O LYS A 15 8.726 -11.897 -12.571 1.00 3.31 O ATOM 236 CB LYS A 15 10.020 -14.731 -11.880 1.00 22.05 C ATOM 237 CG LYS A 15 8.946 -15.795 -11.735 1.00 60.24 C ATOM 238 CD LYS A 15 9.380 -16.899 -10.786 1.00 23.34 C ATOM 239 CE LYS A 15 8.775 -18.239 -11.177 1.00 43.34 C ATOM 240 NZ LYS A 15 7.293 -18.242 -11.031 1.00 34.55 N1+ ATOM 0 H LYS A 15 9.525 -14.806 -9.469 1.00 52.10 H new ATOM 0 HA LYS A 15 10.621 -12.818 -11.103 1.00 21.15 H new ATOM 0 HB2 LYS A 15 10.114 -14.463 -12.932 1.00 22.05 H new ATOM 0 HB3 LYS A 15 10.978 -15.149 -11.571 1.00 22.05 H new ATOM 0 HG2 LYS A 15 8.027 -15.338 -11.367 1.00 60.24 H new ATOM 0 HG3 LYS A 15 8.721 -16.222 -12.712 1.00 60.24 H new ATOM 0 HD2 LYS A 15 10.467 -16.975 -10.787 1.00 23.34 H new ATOM 0 HD3 LYS A 15 9.080 -16.646 -9.769 1.00 23.34 H new ATOM 0 HE2 LYS A 15 9.039 -18.469 -12.209 1.00 43.34 H new ATOM 0 HE3 LYS A 15 9.203 -19.026 -10.556 1.00 43.34 H new ATOM 0 HZ1 LYS A 15 6.922 -19.183 -11.274 1.00 34.55 H new ATOM 0 HZ2 LYS A 15 7.041 -18.014 -10.048 1.00 34.55 H new ATOM 0 HZ3 LYS A 15 6.880 -17.531 -11.668 1.00 34.55 H new ATOM 254 N ASN A 16 7.366 -12.989 -11.150 1.00 74.22 N ATOM 255 CA ASN A 16 6.155 -12.336 -11.634 1.00 2.32 C ATOM 256 C ASN A 16 6.045 -10.918 -11.083 1.00 61.22 C ATOM 257 O ASN A 16 5.135 -10.170 -11.444 1.00 13.45 O ATOM 258 CB ASN A 16 4.920 -13.147 -11.238 1.00 35.24 C ATOM 259 CG ASN A 16 3.677 -12.711 -11.988 1.00 64.51 C ATOM 260 OD1 ASN A 16 2.801 -12.051 -11.428 1.00 50.32 O ATOM 261 ND2 ASN A 16 3.594 -13.079 -13.260 1.00 31.22 N ATOM 0 H ASN A 16 7.211 -13.662 -10.399 1.00 74.22 H new ATOM 0 HA ASN A 16 6.211 -12.281 -12.721 1.00 2.32 H new ATOM 0 HB2 ASN A 16 5.105 -14.204 -11.431 1.00 35.24 H new ATOM 0 HB3 ASN A 16 4.749 -13.044 -10.166 1.00 35.24 H new ATOM 0 HD21 ASN A 16 2.780 -12.815 -13.815 1.00 31.22 H new ATOM 0 HD22 ASN A 16 4.344 -13.626 -13.683 1.00 31.22 H new ATOM 268 N ASP A 17 6.976 -10.554 -10.208 1.00 63.14 N ATOM 269 CA ASP A 17 6.985 -9.226 -9.608 1.00 4.05 C ATOM 270 C ASP A 17 8.361 -8.581 -9.737 1.00 14.43 C ATOM 271 O ASP A 17 8.788 -7.823 -8.865 1.00 10.22 O ATOM 272 CB ASP A 17 6.581 -9.306 -8.135 1.00 62.44 C ATOM 273 CG ASP A 17 5.203 -9.908 -7.944 1.00 12.13 C ATOM 274 OD1 ASP A 17 4.258 -9.451 -8.619 1.00 23.40 O1- ATOM 275 OD2 ASP A 17 5.070 -10.836 -7.119 1.00 64.23 O ATOM 0 H ASP A 17 7.735 -11.161 -9.898 1.00 63.14 H new ATOM 0 HA ASP A 17 6.263 -8.608 -10.141 1.00 4.05 H new ATOM 0 HB2 ASP A 17 7.314 -9.904 -7.592 1.00 62.44 H new ATOM 0 HB3 ASP A 17 6.601 -8.306 -7.701 1.00 62.44 H new ATOM 280 N CYS A 18 9.053 -8.886 -10.829 1.00 22.14 N ATOM 281 CA CYS A 18 10.381 -8.339 -11.073 1.00 12.03 C ATOM 282 C CYS A 18 10.377 -6.819 -10.935 1.00 12.24 C ATOM 283 O CYS A 18 10.940 -6.268 -9.988 1.00 15.22 O ATOM 284 CB CYS A 18 10.872 -8.734 -12.467 1.00 65.22 C ATOM 285 SG CYS A 18 11.936 -10.212 -12.490 1.00 64.10 S ATOM 0 H CYS A 18 8.715 -9.511 -11.561 1.00 22.14 H new ATOM 0 HA CYS A 18 11.059 -8.753 -10.326 1.00 12.03 H new ATOM 0 HB2 CYS A 18 10.008 -8.911 -13.108 1.00 65.22 H new ATOM 0 HB3 CYS A 18 11.422 -7.897 -12.897 1.00 65.22 H new ATOM 290 N CYS A 19 9.736 -6.146 -11.885 1.00 52.34 N ATOM 291 CA CYS A 19 9.657 -4.691 -11.872 1.00 50.21 C ATOM 292 C CYS A 19 8.858 -4.179 -13.067 1.00 44.05 C ATOM 293 O CYS A 19 8.259 -4.960 -13.805 1.00 61.25 O ATOM 294 CB CYS A 19 11.061 -4.083 -11.885 1.00 45.44 C ATOM 295 SG CYS A 19 11.297 -2.731 -10.688 1.00 3.21 S ATOM 0 H CYS A 19 9.263 -6.586 -12.674 1.00 52.34 H new ATOM 0 HA CYS A 19 9.145 -4.388 -10.958 1.00 50.21 H new ATOM 0 HB2 CYS A 19 11.787 -4.869 -11.677 1.00 45.44 H new ATOM 0 HB3 CYS A 19 11.274 -3.709 -12.886 1.00 45.44 H new ATOM 300 N GLU A 20 8.854 -2.862 -13.248 1.00 0.41 N ATOM 301 CA GLU A 20 8.127 -2.246 -14.353 1.00 21.12 C ATOM 302 C GLU A 20 8.975 -2.234 -15.622 1.00 12.24 C ATOM 303 O GLU A 20 9.992 -1.545 -15.695 1.00 33.41 O ATOM 304 CB GLU A 20 7.716 -0.818 -13.987 1.00 34.22 C ATOM 305 CG GLU A 20 6.696 -0.217 -14.940 1.00 61.45 C ATOM 306 CD GLU A 20 5.292 -0.736 -14.696 1.00 22.34 C ATOM 307 OE1 GLU A 20 5.157 -1.896 -14.254 1.00 41.52 O ATOM 308 OE2 GLU A 20 4.329 0.018 -14.948 1.00 2.13 O1- ATOM 0 H GLU A 20 9.345 -2.202 -12.645 1.00 0.41 H new ATOM 0 HA GLU A 20 7.231 -2.838 -14.541 1.00 21.12 H new ATOM 0 HB2 GLU A 20 7.305 -0.814 -12.978 1.00 34.22 H new ATOM 0 HB3 GLU A 20 8.604 -0.186 -13.972 1.00 34.22 H new ATOM 0 HG2 GLU A 20 6.702 0.868 -14.835 1.00 61.45 H new ATOM 0 HG3 GLU A 20 6.988 -0.439 -15.966 1.00 61.45 H new ATOM 315 N GLY A 21 8.547 -3.001 -16.619 1.00 40.44 N ATOM 316 CA GLY A 21 9.278 -3.065 -17.871 1.00 52.55 C ATOM 317 C GLY A 21 10.462 -4.009 -17.804 1.00 53.30 C ATOM 318 O GLY A 21 11.494 -3.768 -18.432 1.00 0.22 O ATOM 0 H GLY A 21 7.707 -3.579 -16.583 1.00 40.44 H new ATOM 0 HA2 GLY A 21 8.605 -3.388 -18.665 1.00 52.55 H new ATOM 0 HA3 GLY A 21 9.628 -2.067 -18.135 1.00 52.55 H new ATOM 322 N LEU A 22 10.315 -5.087 -17.041 1.00 13.10 N ATOM 323 CA LEU A 22 11.383 -6.069 -16.892 1.00 41.51 C ATOM 324 C LEU A 22 10.852 -7.485 -17.095 1.00 64.04 C ATOM 325 O LEU A 22 9.650 -7.729 -16.982 1.00 31.15 O ATOM 326 CB LEU A 22 12.026 -5.948 -15.509 1.00 20.40 C ATOM 327 CG LEU A 22 12.797 -4.656 -15.239 1.00 3.03 C ATOM 328 CD1 LEU A 22 13.479 -4.716 -13.881 1.00 13.13 C ATOM 329 CD2 LEU A 22 13.817 -4.403 -16.339 1.00 73.44 C ATOM 0 H LEU A 22 9.467 -5.303 -16.516 1.00 13.10 H new ATOM 0 HA LEU A 22 12.136 -5.869 -17.655 1.00 41.51 H new ATOM 0 HB2 LEU A 22 11.243 -6.045 -14.757 1.00 20.40 H new ATOM 0 HB3 LEU A 22 12.706 -6.789 -15.371 1.00 20.40 H new ATOM 0 HG LEU A 22 12.088 -3.828 -15.231 1.00 3.03 H new ATOM 0 HD11 LEU A 22 14.023 -3.788 -13.706 1.00 13.13 H new ATOM 0 HD12 LEU A 22 12.728 -4.849 -13.102 1.00 13.13 H new ATOM 0 HD13 LEU A 22 14.175 -5.554 -13.860 1.00 13.13 H new ATOM 0 HD21 LEU A 22 14.356 -3.479 -16.130 1.00 73.44 H new ATOM 0 HD22 LEU A 22 14.522 -5.233 -16.379 1.00 73.44 H new ATOM 0 HD23 LEU A 22 13.305 -4.315 -17.297 1.00 73.44 H new ATOM 341 N GLU A 23 11.755 -8.413 -17.395 1.00 73.11 N ATOM 342 CA GLU A 23 11.376 -9.805 -17.613 1.00 72.50 C ATOM 343 C GLU A 23 12.418 -10.750 -17.023 1.00 73.15 C ATOM 344 O GLU A 23 13.605 -10.429 -16.968 1.00 53.25 O ATOM 345 CB GLU A 23 11.208 -10.083 -19.108 1.00 42.13 C ATOM 346 CG GLU A 23 9.760 -10.074 -19.570 1.00 54.44 C ATOM 347 CD GLU A 23 9.261 -11.455 -19.950 1.00 41.24 C ATOM 348 OE1 GLU A 23 10.030 -12.209 -20.581 1.00 33.22 O1- ATOM 349 OE2 GLU A 23 8.103 -11.780 -19.616 1.00 62.21 O ATOM 0 H GLU A 23 12.753 -8.227 -17.493 1.00 73.11 H new ATOM 0 HA GLU A 23 10.425 -9.979 -17.110 1.00 72.50 H new ATOM 0 HB2 GLU A 23 11.765 -9.336 -19.673 1.00 42.13 H new ATOM 0 HB3 GLU A 23 11.649 -11.052 -19.340 1.00 42.13 H new ATOM 0 HG2 GLU A 23 9.132 -9.670 -18.776 1.00 54.44 H new ATOM 0 HG3 GLU A 23 9.660 -9.407 -20.426 1.00 54.44 H new ATOM 356 N CYS A 24 11.964 -11.919 -16.581 1.00 3.15 N ATOM 357 CA CYS A 24 12.854 -12.912 -15.994 1.00 43.32 C ATOM 358 C CYS A 24 13.602 -13.683 -17.079 1.00 13.33 C ATOM 359 O CYS A 24 13.110 -14.688 -17.592 1.00 71.04 O ATOM 360 CB CYS A 24 12.061 -13.885 -15.118 1.00 63.05 C ATOM 361 SG CYS A 24 13.043 -15.276 -14.472 1.00 51.21 S ATOM 0 H CYS A 24 10.984 -12.201 -16.619 1.00 3.15 H new ATOM 0 HA CYS A 24 13.583 -12.388 -15.376 1.00 43.32 H new ATOM 0 HB2 CYS A 24 11.634 -13.336 -14.279 1.00 63.05 H new ATOM 0 HB3 CYS A 24 11.227 -14.281 -15.697 1.00 63.05 H new ATOM 366 N TYR A 25 14.792 -13.204 -17.422 1.00 42.15 N ATOM 367 CA TYR A 25 15.606 -13.845 -18.448 1.00 43.13 C ATOM 368 C TYR A 25 16.679 -14.729 -17.817 1.00 24.34 C ATOM 369 O TYR A 25 17.140 -14.470 -16.706 1.00 2.23 O ATOM 370 CB TYR A 25 16.259 -12.791 -19.343 1.00 24.23 C ATOM 371 CG TYR A 25 17.155 -13.376 -20.412 1.00 72.44 C ATOM 372 CD1 TYR A 25 16.652 -14.259 -21.361 1.00 1.13 C ATOM 373 CD2 TYR A 25 18.503 -13.046 -20.474 1.00 73.43 C ATOM 374 CE1 TYR A 25 17.466 -14.795 -22.340 1.00 40.22 C ATOM 375 CE2 TYR A 25 19.324 -13.578 -21.450 1.00 20.10 C ATOM 376 CZ TYR A 25 18.802 -14.452 -22.380 1.00 72.10 C ATOM 377 OH TYR A 25 19.617 -14.983 -23.352 1.00 42.01 O ATOM 0 H TYR A 25 15.215 -12.375 -17.005 1.00 42.15 H new ATOM 0 HA TYR A 25 14.954 -14.473 -19.055 1.00 43.13 H new ATOM 0 HB2 TYR A 25 15.479 -12.197 -19.819 1.00 24.23 H new ATOM 0 HB3 TYR A 25 16.843 -12.111 -18.723 1.00 24.23 H new ATOM 0 HD1 TYR A 25 15.607 -14.530 -21.332 1.00 1.13 H new ATOM 0 HD2 TYR A 25 18.916 -12.362 -19.747 1.00 73.43 H new ATOM 0 HE1 TYR A 25 17.059 -15.479 -23.070 1.00 40.22 H new ATOM 0 HE2 TYR A 25 20.370 -13.310 -21.484 1.00 20.10 H new ATOM 0 HH TYR A 25 20.528 -14.639 -23.240 1.00 42.01 H new ATOM 387 N LYS A 26 17.074 -15.773 -18.537 1.00 24.35 N ATOM 388 CA LYS A 26 18.095 -16.696 -18.052 1.00 34.53 C ATOM 389 C LYS A 26 19.465 -16.338 -18.619 1.00 64.11 C ATOM 390 O LYS A 26 19.581 -15.932 -19.775 1.00 12.35 O ATOM 391 CB LYS A 26 17.733 -18.133 -18.432 1.00 44.31 C ATOM 392 CG LYS A 26 17.649 -18.365 -19.930 1.00 35.50 C ATOM 393 CD LYS A 26 17.027 -19.713 -20.252 1.00 15.23 C ATOM 394 CE LYS A 26 16.247 -19.670 -21.558 1.00 24.30 C ATOM 395 NZ LYS A 26 17.111 -19.283 -22.708 1.00 45.14 N1+ ATOM 0 H LYS A 26 16.703 -16.002 -19.459 1.00 24.35 H new ATOM 0 HA LYS A 26 18.138 -16.614 -16.966 1.00 34.53 H new ATOM 0 HB2 LYS A 26 18.476 -18.809 -18.010 1.00 44.31 H new ATOM 0 HB3 LYS A 26 16.775 -18.389 -17.979 1.00 44.31 H new ATOM 0 HG2 LYS A 26 17.059 -17.572 -20.389 1.00 35.50 H new ATOM 0 HG3 LYS A 26 18.647 -18.311 -20.364 1.00 35.50 H new ATOM 0 HD2 LYS A 26 17.809 -20.469 -20.319 1.00 15.23 H new ATOM 0 HD3 LYS A 26 16.364 -20.012 -19.440 1.00 15.23 H new ATOM 0 HE2 LYS A 26 15.805 -20.648 -21.749 1.00 24.30 H new ATOM 0 HE3 LYS A 26 15.425 -18.960 -21.467 1.00 24.30 H new ATOM 0 HZ1 LYS A 26 16.569 -19.363 -23.592 1.00 45.14 H new ATOM 0 HZ2 LYS A 26 17.431 -18.301 -22.587 1.00 45.14 H new ATOM 0 HZ3 LYS A 26 17.937 -19.914 -22.750 1.00 45.14 H new ATOM 409 N ARG A 27 20.498 -16.495 -17.799 1.00 13.42 N ATOM 410 CA ARG A 27 21.861 -16.189 -18.219 1.00 2.22 C ATOM 411 C ARG A 27 22.576 -17.447 -18.704 1.00 13.11 C ATOM 412 O ARG A 27 21.996 -18.533 -18.725 1.00 42.10 O ATOM 413 CB ARG A 27 22.643 -15.556 -17.067 1.00 75.21 C ATOM 414 CG ARG A 27 22.184 -14.150 -16.719 1.00 55.10 C ATOM 415 CD ARG A 27 23.365 -13.229 -16.451 1.00 52.24 C ATOM 416 NE ARG A 27 23.786 -12.515 -17.654 1.00 31.33 N ATOM 417 CZ ARG A 27 24.907 -11.806 -17.733 1.00 45.33 C ATOM 418 NH1 ARG A 27 25.714 -11.717 -16.685 1.00 21.44 N1+ ATOM 419 NH2 ARG A 27 25.221 -11.185 -18.862 1.00 63.22 N ATOM 0 H ARG A 27 20.418 -16.832 -16.840 1.00 13.42 H new ATOM 0 HA ARG A 27 21.809 -15.480 -19.046 1.00 2.22 H new ATOM 0 HB2 ARG A 27 22.549 -16.189 -16.184 1.00 75.21 H new ATOM 0 HB3 ARG A 27 23.701 -15.529 -17.329 1.00 75.21 H new ATOM 0 HG2 ARG A 27 21.586 -13.748 -17.537 1.00 55.10 H new ATOM 0 HG3 ARG A 27 21.540 -14.183 -15.840 1.00 55.10 H new ATOM 0 HD2 ARG A 27 23.095 -12.509 -15.678 1.00 52.24 H new ATOM 0 HD3 ARG A 27 24.200 -13.813 -16.065 1.00 52.24 H new ATOM 0 HE ARG A 27 23.187 -12.563 -18.478 1.00 31.33 H new ATOM 0 HH11 ARG A 27 25.475 -12.193 -15.815 1.00 21.44 H new ATOM 0 HH12 ARG A 27 26.574 -11.172 -16.748 1.00 21.44 H new ATOM 0 HH21 ARG A 27 24.602 -11.252 -19.670 1.00 63.22 H new ATOM 0 HH22 ARG A 27 26.082 -10.641 -18.922 1.00 63.22 H new ATOM 433 N ARG A 28 23.837 -17.292 -19.094 1.00 43.11 N ATOM 434 CA ARG A 28 24.630 -18.414 -19.579 1.00 2.52 C ATOM 435 C ARG A 28 24.811 -19.465 -18.488 1.00 22.11 C ATOM 436 O ARG A 28 24.219 -20.543 -18.547 1.00 62.24 O ATOM 437 CB ARG A 28 25.997 -17.928 -20.065 1.00 42.41 C ATOM 438 CG ARG A 28 26.001 -17.470 -21.514 1.00 2.52 C ATOM 439 CD ARG A 28 27.412 -17.408 -22.075 1.00 0.40 C ATOM 440 NE ARG A 28 28.043 -16.114 -21.827 1.00 0.25 N ATOM 441 CZ ARG A 28 29.336 -15.879 -22.018 1.00 3.54 C ATOM 442 NH1 ARG A 28 30.132 -16.845 -22.457 1.00 52.00 N1+ ATOM 443 NH2 ARG A 28 29.837 -14.675 -21.769 1.00 73.13 N ATOM 0 H ARG A 28 24.331 -16.400 -19.083 1.00 43.11 H new ATOM 0 HA ARG A 28 24.096 -18.869 -20.413 1.00 2.52 H new ATOM 0 HB2 ARG A 28 26.326 -17.104 -19.432 1.00 42.41 H new ATOM 0 HB3 ARG A 28 26.723 -18.732 -19.945 1.00 42.41 H new ATOM 0 HG2 ARG A 28 25.400 -18.153 -22.114 1.00 2.52 H new ATOM 0 HG3 ARG A 28 25.536 -16.487 -21.587 1.00 2.52 H new ATOM 0 HD2 ARG A 28 28.015 -18.197 -21.627 1.00 0.40 H new ATOM 0 HD3 ARG A 28 27.384 -17.598 -23.148 1.00 0.40 H new ATOM 0 HE ARG A 28 27.459 -15.349 -21.489 1.00 0.25 H new ATOM 0 HH11 ARG A 28 29.751 -17.772 -22.649 1.00 52.00 H new ATOM 0 HH12 ARG A 28 31.125 -16.661 -22.603 1.00 52.00 H new ATOM 0 HH21 ARG A 28 29.229 -13.929 -21.431 1.00 73.13 H new ATOM 0 HH22 ARG A 28 30.830 -14.496 -21.916 1.00 73.13 H new ATOM 457 N HIS A 29 25.632 -19.143 -17.494 1.00 34.43 N ATOM 458 CA HIS A 29 25.890 -20.059 -16.389 1.00 5.34 C ATOM 459 C HIS A 29 25.640 -19.377 -15.048 1.00 60.13 C ATOM 460 O HIS A 29 26.233 -19.745 -14.033 1.00 45.11 O ATOM 461 CB HIS A 29 27.328 -20.576 -16.453 1.00 0.11 C ATOM 462 CG HIS A 29 27.502 -21.754 -17.360 1.00 24.13 C ATOM 463 ND1 HIS A 29 28.665 -22.002 -18.056 1.00 73.30 N ATOM 464 CD2 HIS A 29 26.651 -22.757 -17.683 1.00 14.44 C ATOM 465 CE1 HIS A 29 28.523 -23.105 -18.770 1.00 50.01 C ATOM 466 NE2 HIS A 29 27.309 -23.583 -18.560 1.00 1.05 N ATOM 0 H HIS A 29 26.130 -18.255 -17.431 1.00 34.43 H new ATOM 0 HA HIS A 29 25.205 -20.902 -16.480 1.00 5.34 H new ATOM 0 HB2 HIS A 29 27.980 -19.770 -16.789 1.00 0.11 H new ATOM 0 HB3 HIS A 29 27.652 -20.850 -15.449 1.00 0.11 H new ATOM 0 HD2 HIS A 29 25.642 -22.883 -17.318 1.00 14.44 H new ATOM 0 HE1 HIS A 29 29.271 -23.541 -19.415 1.00 50.01 H new ATOM 0 HE2 HIS A 29 26.924 -24.428 -18.981 1.00 1.05 H new ATOM 474 N SER A 30 24.760 -18.381 -15.050 1.00 51.21 N ATOM 475 CA SER A 30 24.436 -17.645 -13.834 1.00 2.20 C ATOM 476 C SER A 30 22.930 -17.635 -13.589 1.00 21.10 C ATOM 477 O SER A 30 22.137 -17.768 -14.521 1.00 1.23 O ATOM 478 CB SER A 30 24.958 -16.209 -13.928 1.00 61.21 C ATOM 479 OG SER A 30 26.320 -16.135 -13.544 1.00 2.24 O ATOM 0 H SER A 30 24.259 -18.065 -15.880 1.00 51.21 H new ATOM 0 HA SER A 30 24.919 -18.147 -12.996 1.00 2.20 H new ATOM 0 HB2 SER A 30 24.844 -15.844 -14.949 1.00 61.21 H new ATOM 0 HB3 SER A 30 24.361 -15.559 -13.288 1.00 61.21 H new ATOM 0 HG SER A 30 26.630 -15.208 -13.614 1.00 2.24 H new ATOM 485 N PHE A 31 22.543 -17.478 -12.327 1.00 74.44 N ATOM 486 CA PHE A 31 21.132 -17.454 -11.959 1.00 15.34 C ATOM 487 C PHE A 31 20.366 -16.445 -12.809 1.00 41.21 C ATOM 488 O PHE A 31 20.818 -15.319 -13.014 1.00 41.32 O ATOM 489 CB PHE A 31 20.978 -17.109 -10.476 1.00 25.20 C ATOM 490 CG PHE A 31 21.833 -15.956 -10.035 1.00 42.32 C ATOM 491 CD1 PHE A 31 21.431 -14.650 -10.265 1.00 32.25 C ATOM 492 CD2 PHE A 31 23.040 -16.178 -9.392 1.00 55.24 C ATOM 493 CE1 PHE A 31 22.217 -13.588 -9.861 1.00 32.13 C ATOM 494 CE2 PHE A 31 23.831 -15.120 -8.987 1.00 41.41 C ATOM 495 CZ PHE A 31 23.418 -13.822 -9.220 1.00 42.13 C ATOM 0 H PHE A 31 23.186 -17.366 -11.543 1.00 74.44 H new ATOM 0 HA PHE A 31 20.717 -18.445 -12.141 1.00 15.34 H new ATOM 0 HB2 PHE A 31 19.933 -16.874 -10.273 1.00 25.20 H new ATOM 0 HB3 PHE A 31 21.229 -17.986 -9.880 1.00 25.20 H new ATOM 0 HD1 PHE A 31 20.493 -14.460 -10.766 1.00 32.25 H new ATOM 0 HD2 PHE A 31 23.367 -17.190 -9.205 1.00 55.24 H new ATOM 0 HE1 PHE A 31 21.892 -12.575 -10.046 1.00 32.13 H new ATOM 0 HE2 PHE A 31 24.771 -15.307 -8.489 1.00 41.41 H new ATOM 0 HZ PHE A 31 24.033 -12.993 -8.902 1.00 42.13 H new ATOM 505 N GLU A 32 19.202 -16.859 -13.301 1.00 14.44 N ATOM 506 CA GLU A 32 18.373 -15.993 -14.131 1.00 22.14 C ATOM 507 C GLU A 32 17.983 -14.726 -13.375 1.00 51.44 C ATOM 508 O GLU A 32 17.532 -14.787 -12.231 1.00 63.24 O ATOM 509 CB GLU A 32 17.116 -16.736 -14.586 1.00 52.23 C ATOM 510 CG GLU A 32 16.393 -17.456 -13.460 1.00 22.11 C ATOM 511 CD GLU A 32 15.013 -17.936 -13.865 1.00 4.05 C ATOM 512 OE1 GLU A 32 14.849 -18.352 -15.031 1.00 42.42 O ATOM 513 OE2 GLU A 32 14.098 -17.898 -13.016 1.00 23.41 O1- ATOM 0 H GLU A 32 18.812 -17.788 -13.139 1.00 14.44 H new ATOM 0 HA GLU A 32 18.955 -15.708 -15.008 1.00 22.14 H new ATOM 0 HB2 GLU A 32 16.432 -16.025 -15.050 1.00 52.23 H new ATOM 0 HB3 GLU A 32 17.390 -17.461 -15.352 1.00 52.23 H new ATOM 0 HG2 GLU A 32 16.990 -18.309 -13.137 1.00 22.11 H new ATOM 0 HG3 GLU A 32 16.304 -16.787 -12.604 1.00 22.11 H new ATOM 520 N VAL A 33 18.162 -13.579 -14.022 1.00 62.34 N ATOM 521 CA VAL A 33 17.828 -12.297 -13.411 1.00 22.01 C ATOM 522 C VAL A 33 16.884 -11.494 -14.300 1.00 53.22 C ATOM 523 O VAL A 33 16.595 -11.886 -15.431 1.00 65.03 O ATOM 524 CB VAL A 33 19.092 -11.460 -13.137 1.00 32.31 C ATOM 525 CG1 VAL A 33 20.132 -12.291 -12.401 1.00 3.23 C ATOM 526 CG2 VAL A 33 19.659 -10.910 -14.437 1.00 64.44 C ATOM 0 H VAL A 33 18.536 -13.511 -14.968 1.00 62.34 H new ATOM 0 HA VAL A 33 17.334 -12.516 -12.465 1.00 22.01 H new ATOM 0 HB VAL A 33 18.819 -10.617 -12.502 1.00 32.31 H new ATOM 0 HG11 VAL A 33 21.018 -11.684 -12.216 1.00 3.23 H new ATOM 0 HG12 VAL A 33 19.720 -12.631 -11.451 1.00 3.23 H new ATOM 0 HG13 VAL A 33 20.404 -13.154 -13.008 1.00 3.23 H new ATOM 0 HG21 VAL A 33 20.551 -10.321 -14.224 1.00 64.44 H new ATOM 0 HG22 VAL A 33 19.918 -11.736 -15.099 1.00 64.44 H new ATOM 0 HG23 VAL A 33 18.914 -10.278 -14.920 1.00 64.44 H new ATOM 536 N CYS A 34 16.406 -10.369 -13.781 1.00 44.23 N ATOM 537 CA CYS A 34 15.494 -9.509 -14.526 1.00 2.34 C ATOM 538 C CYS A 34 16.236 -8.746 -15.619 1.00 74.42 C ATOM 539 O CYS A 34 17.394 -8.363 -15.447 1.00 63.45 O ATOM 540 CB CYS A 34 14.801 -8.524 -13.581 1.00 12.11 C ATOM 541 SG CYS A 34 13.782 -9.318 -12.296 1.00 33.54 S ATOM 0 H CYS A 34 16.635 -10.031 -12.846 1.00 44.23 H new ATOM 0 HA CYS A 34 14.741 -10.142 -14.996 1.00 2.34 H new ATOM 0 HB2 CYS A 34 15.558 -7.906 -13.099 1.00 12.11 H new ATOM 0 HB3 CYS A 34 14.171 -7.856 -14.168 1.00 12.11 H new ATOM 546 N VAL A 35 15.562 -8.528 -16.743 1.00 52.22 N ATOM 547 CA VAL A 35 16.156 -7.810 -17.864 1.00 73.22 C ATOM 548 C VAL A 35 15.160 -6.837 -18.484 1.00 34.14 C ATOM 549 O VAL A 35 13.945 -7.030 -18.423 1.00 74.20 O ATOM 550 CB VAL A 35 16.655 -8.780 -18.952 1.00 22.11 C ATOM 551 CG1 VAL A 35 17.792 -9.639 -18.420 1.00 55.34 C ATOM 552 CG2 VAL A 35 15.511 -9.646 -19.457 1.00 13.23 C ATOM 0 H VAL A 35 14.603 -8.839 -16.902 1.00 52.22 H new ATOM 0 HA VAL A 35 17.005 -7.253 -17.468 1.00 73.22 H new ATOM 0 HB VAL A 35 17.035 -8.196 -19.790 1.00 22.11 H new ATOM 0 HG11 VAL A 35 18.132 -10.318 -19.202 1.00 55.34 H new ATOM 0 HG12 VAL A 35 18.618 -8.999 -18.111 1.00 55.34 H new ATOM 0 HG13 VAL A 35 17.442 -10.217 -17.565 1.00 55.34 H new ATOM 0 HG21 VAL A 35 15.881 -10.325 -20.225 1.00 13.23 H new ATOM 0 HG22 VAL A 35 15.099 -10.223 -18.629 1.00 13.23 H new ATOM 0 HG23 VAL A 35 14.732 -9.010 -19.879 1.00 13.23 H new ATOM 562 N PRO A 36 15.682 -5.765 -19.098 1.00 14.42 N ATOM 563 CA PRO A 36 14.855 -4.740 -19.743 1.00 15.12 C ATOM 564 C PRO A 36 14.175 -5.255 -21.007 1.00 33.54 C ATOM 565 O PRO A 36 14.831 -5.801 -21.895 1.00 61.25 O ATOM 566 CB PRO A 36 15.860 -3.638 -20.086 1.00 24.35 C ATOM 567 CG PRO A 36 17.168 -4.340 -20.201 1.00 33.43 C ATOM 568 CD PRO A 36 17.120 -5.470 -19.210 1.00 44.32 C ATOM 0 HA PRO A 36 14.041 -4.407 -19.099 1.00 15.12 H new ATOM 0 HB2 PRO A 36 15.596 -3.138 -21.018 1.00 24.35 H new ATOM 0 HB3 PRO A 36 15.888 -2.873 -19.310 1.00 24.35 H new ATOM 0 HG2 PRO A 36 17.322 -4.715 -21.213 1.00 33.43 H new ATOM 0 HG3 PRO A 36 17.994 -3.664 -19.982 1.00 33.43 H new ATOM 0 HD2 PRO A 36 17.682 -6.336 -19.561 1.00 44.32 H new ATOM 0 HD3 PRO A 36 17.547 -5.181 -18.250 1.00 44.32 H new ATOM 576 N ILE A 37 12.861 -5.077 -21.082 1.00 43.04 N ATOM 577 CA ILE A 37 12.095 -5.522 -22.239 1.00 30.13 C ATOM 578 C ILE A 37 12.230 -4.541 -23.398 1.00 62.14 C ATOM 579 O ILE A 37 11.958 -3.347 -23.269 1.00 13.55 O ATOM 580 CB ILE A 37 10.603 -5.690 -21.895 1.00 53.44 C ATOM 581 CG1 ILE A 37 10.426 -6.737 -20.793 1.00 32.33 C ATOM 582 CG2 ILE A 37 9.814 -6.082 -23.135 1.00 52.54 C ATOM 583 CD1 ILE A 37 9.219 -6.492 -19.915 1.00 30.21 C ATOM 0 H ILE A 37 12.304 -4.628 -20.355 1.00 43.04 H new ATOM 0 HA ILE A 37 12.503 -6.489 -22.535 1.00 30.13 H new ATOM 0 HB ILE A 37 10.220 -4.737 -21.530 1.00 53.44 H new ATOM 0 HG12 ILE A 37 10.339 -7.723 -21.250 1.00 32.33 H new ATOM 0 HG13 ILE A 37 11.321 -6.753 -20.171 1.00 32.33 H new ATOM 0 HG21 ILE A 37 8.762 -6.197 -22.875 1.00 52.54 H new ATOM 0 HG22 ILE A 37 9.918 -5.306 -23.893 1.00 52.54 H new ATOM 0 HG23 ILE A 37 10.196 -7.025 -23.526 1.00 52.54 H new ATOM 0 HD11 ILE A 37 9.156 -7.272 -19.157 1.00 30.21 H new ATOM 0 HD12 ILE A 37 9.314 -5.521 -19.429 1.00 30.21 H new ATOM 0 HD13 ILE A 37 8.316 -6.506 -20.526 1.00 30.21 H new ATOM 595 N PRO A 38 12.659 -5.055 -24.560 1.00 44.01 N ATOM 596 CA PRO A 38 12.837 -4.243 -25.767 1.00 45.20 C ATOM 597 C PRO A 38 11.510 -3.772 -26.352 1.00 54.33 C ATOM 598 O PRO A 38 10.640 -4.581 -26.670 1.00 60.25 O ATOM 599 CB PRO A 38 13.541 -5.196 -26.736 1.00 73.53 C ATOM 600 CG PRO A 38 13.146 -6.558 -26.281 1.00 4.32 C ATOM 601 CD PRO A 38 13.001 -6.469 -24.786 1.00 74.43 C ATOM 0 HA PRO A 38 13.397 -3.330 -25.564 1.00 45.20 H new ATOM 0 HB2 PRO A 38 13.229 -5.016 -27.765 1.00 73.53 H new ATOM 0 HB3 PRO A 38 14.623 -5.066 -26.704 1.00 73.53 H new ATOM 0 HG2 PRO A 38 12.210 -6.869 -26.746 1.00 4.32 H new ATOM 0 HG3 PRO A 38 13.900 -7.296 -26.557 1.00 4.32 H new ATOM 0 HD2 PRO A 38 12.221 -7.135 -24.418 1.00 74.43 H new ATOM 0 HD3 PRO A 38 13.923 -6.746 -24.276 1.00 74.43 H new ATOM 609 N GLY A 39 11.361 -2.458 -26.491 1.00 4.32 N ATOM 610 CA GLY A 39 10.136 -1.904 -27.037 1.00 65.10 C ATOM 611 C GLY A 39 9.056 -1.739 -25.987 1.00 13.00 C ATOM 612 O GLY A 39 7.895 -1.492 -26.314 1.00 24.44 O ATOM 0 H GLY A 39 12.067 -1.768 -26.235 1.00 4.32 H new ATOM 0 HA2 GLY A 39 10.349 -0.936 -27.490 1.00 65.10 H new ATOM 0 HA3 GLY A 39 9.770 -2.554 -27.832 1.00 65.10 H new ATOM 616 N PHE A 40 9.437 -1.875 -24.721 1.00 1.42 N ATOM 617 CA PHE A 40 8.491 -1.741 -23.620 1.00 63.23 C ATOM 618 C PHE A 40 7.897 -0.337 -23.580 1.00 75.24 C ATOM 619 O PHE A 40 8.566 0.643 -23.910 1.00 4.41 O ATOM 620 CB PHE A 40 9.179 -2.055 -22.288 1.00 21.42 C ATOM 621 CG PHE A 40 8.397 -1.600 -21.090 1.00 11.33 C ATOM 622 CD1 PHE A 40 7.307 -2.328 -20.640 1.00 4.14 C ATOM 623 CD2 PHE A 40 8.752 -0.446 -20.412 1.00 44.51 C ATOM 624 CE1 PHE A 40 6.587 -1.914 -19.536 1.00 25.44 C ATOM 625 CE2 PHE A 40 8.035 -0.026 -19.307 1.00 1.00 C ATOM 626 CZ PHE A 40 6.950 -0.760 -18.869 1.00 62.30 C ATOM 0 H PHE A 40 10.394 -2.078 -24.433 1.00 1.42 H new ATOM 0 HA PHE A 40 7.682 -2.453 -23.781 1.00 63.23 H new ATOM 0 HB2 PHE A 40 9.344 -3.130 -22.218 1.00 21.42 H new ATOM 0 HB3 PHE A 40 10.160 -1.580 -22.274 1.00 21.42 H new ATOM 0 HD1 PHE A 40 7.017 -3.230 -21.159 1.00 4.14 H new ATOM 0 HD2 PHE A 40 9.599 0.133 -20.750 1.00 44.51 H new ATOM 0 HE1 PHE A 40 5.741 -2.492 -19.195 1.00 25.44 H new ATOM 0 HE2 PHE A 40 8.323 0.875 -18.787 1.00 1.00 H new ATOM 0 HZ PHE A 40 6.387 -0.433 -18.007 1.00 62.30 H new ATOM 636 N CYS A 41 6.635 -0.246 -23.174 1.00 41.12 N ATOM 637 CA CYS A 41 5.948 1.037 -23.091 1.00 52.51 C ATOM 638 C CYS A 41 4.756 0.956 -22.143 1.00 43.12 C ATOM 639 O CYS A 41 4.582 -0.033 -21.429 1.00 21.44 O ATOM 640 CB CYS A 41 5.481 1.480 -24.479 1.00 65.44 C ATOM 641 SG CYS A 41 4.108 0.489 -25.152 1.00 51.34 S ATOM 0 H CYS A 41 6.067 -1.047 -22.897 1.00 41.12 H new ATOM 0 HA CYS A 41 6.651 1.772 -22.700 1.00 52.51 H new ATOM 0 HB2 CYS A 41 5.172 2.524 -24.431 1.00 65.44 H new ATOM 0 HB3 CYS A 41 6.324 1.429 -25.168 1.00 65.44 H new ATOM 646 N LEU A 42 3.935 2.001 -22.142 1.00 12.45 N ATOM 647 CA LEU A 42 2.758 2.048 -21.282 1.00 22.41 C ATOM 648 C LEU A 42 1.506 2.374 -22.091 1.00 51.03 C ATOM 649 O LEU A 42 1.590 2.754 -23.258 1.00 23.33 O ATOM 650 CB LEU A 42 2.950 3.090 -20.178 1.00 3.12 C ATOM 651 CG LEU A 42 4.311 3.086 -19.480 1.00 35.22 C ATOM 652 CD1 LEU A 42 4.440 4.286 -18.556 1.00 14.43 C ATOM 653 CD2 LEU A 42 4.510 1.790 -18.707 1.00 64.35 C ATOM 0 H LEU A 42 4.063 2.827 -22.727 1.00 12.45 H new ATOM 0 HA LEU A 42 2.630 1.065 -20.828 1.00 22.41 H new ATOM 0 HB2 LEU A 42 2.787 4.079 -20.607 1.00 3.12 H new ATOM 0 HB3 LEU A 42 2.177 2.938 -19.424 1.00 3.12 H new ATOM 0 HG LEU A 42 5.089 3.154 -20.241 1.00 35.22 H new ATOM 0 HD11 LEU A 42 5.415 4.266 -18.068 1.00 14.43 H new ATOM 0 HD12 LEU A 42 4.343 5.204 -19.136 1.00 14.43 H new ATOM 0 HD13 LEU A 42 3.655 4.249 -17.800 1.00 14.43 H new ATOM 0 HD21 LEU A 42 5.483 1.805 -18.217 1.00 64.35 H new ATOM 0 HD22 LEU A 42 3.727 1.691 -17.956 1.00 64.35 H new ATOM 0 HD23 LEU A 42 4.463 0.945 -19.394 1.00 64.35 H new ATOM 665 N VAL A 43 0.345 2.223 -21.460 1.00 43.30 N ATOM 666 CA VAL A 43 -0.925 2.502 -22.120 1.00 31.01 C ATOM 667 C VAL A 43 -1.574 3.759 -21.551 1.00 54.02 C ATOM 668 O VAL A 43 -0.996 4.440 -20.704 1.00 1.44 O ATOM 669 CB VAL A 43 -1.903 1.322 -21.977 1.00 21.11 C ATOM 670 CG1 VAL A 43 -1.403 0.115 -22.754 1.00 24.03 C ATOM 671 CG2 VAL A 43 -2.108 0.974 -20.510 1.00 2.01 C ATOM 0 H VAL A 43 0.258 1.909 -20.493 1.00 43.30 H new ATOM 0 HA VAL A 43 -0.706 2.656 -23.177 1.00 31.01 H new ATOM 0 HB VAL A 43 -2.865 1.619 -22.395 1.00 21.11 H new ATOM 0 HG11 VAL A 43 -2.108 -0.708 -22.640 1.00 24.03 H new ATOM 0 HG12 VAL A 43 -1.314 0.373 -23.809 1.00 24.03 H new ATOM 0 HG13 VAL A 43 -0.428 -0.186 -22.370 1.00 24.03 H new ATOM 0 HG21 VAL A 43 -2.802 0.138 -20.428 1.00 2.01 H new ATOM 0 HG22 VAL A 43 -1.152 0.697 -20.065 1.00 2.01 H new ATOM 0 HG23 VAL A 43 -2.516 1.837 -19.985 1.00 2.01 H new ATOM 681 N LYS A 44 -2.778 4.061 -22.023 1.00 2.34 N ATOM 682 CA LYS A 44 -3.510 5.235 -21.562 1.00 53.21 C ATOM 683 C LYS A 44 -4.234 4.944 -20.251 1.00 52.14 C ATOM 684 O LYS A 44 -4.954 5.794 -19.727 1.00 22.22 O ATOM 685 CB LYS A 44 -4.515 5.686 -22.623 1.00 61.32 C ATOM 686 CG LYS A 44 -5.589 4.653 -22.920 1.00 71.24 C ATOM 687 CD LYS A 44 -5.385 4.012 -24.282 1.00 71.12 C ATOM 688 CE LYS A 44 -6.658 3.342 -24.779 1.00 11.52 C ATOM 689 NZ LYS A 44 -6.457 2.678 -26.096 1.00 43.31 N1+ ATOM 0 H LYS A 44 -3.269 3.508 -22.726 1.00 2.34 H new ATOM 0 HA LYS A 44 -2.791 6.036 -21.390 1.00 53.21 H new ATOM 0 HB2 LYS A 44 -4.991 6.609 -22.292 1.00 61.32 H new ATOM 0 HB3 LYS A 44 -3.980 5.917 -23.544 1.00 61.32 H new ATOM 0 HG2 LYS A 44 -5.577 3.883 -22.149 1.00 71.24 H new ATOM 0 HG3 LYS A 44 -6.570 5.126 -22.883 1.00 71.24 H new ATOM 0 HD2 LYS A 44 -5.068 4.770 -24.998 1.00 71.12 H new ATOM 0 HD3 LYS A 44 -4.584 3.275 -24.222 1.00 71.12 H new ATOM 0 HE2 LYS A 44 -6.990 2.605 -24.048 1.00 11.52 H new ATOM 0 HE3 LYS A 44 -7.450 4.086 -24.864 1.00 11.52 H new ATOM 0 HZ1 LYS A 44 -7.347 2.234 -26.400 1.00 43.31 H new ATOM 0 HZ2 LYS A 44 -6.165 3.385 -26.800 1.00 43.31 H new ATOM 0 HZ3 LYS A 44 -5.719 1.951 -26.009 1.00 43.31 H new ATOM 703 N TRP A 45 -4.036 3.740 -19.726 1.00 61.52 N ATOM 704 CA TRP A 45 -4.670 3.339 -18.475 1.00 74.50 C ATOM 705 C TRP A 45 -3.628 2.888 -17.457 1.00 42.02 C ATOM 706 O TRP A 45 -3.948 2.196 -16.490 1.00 73.52 O ATOM 707 CB TRP A 45 -5.676 2.215 -18.727 1.00 42.20 C ATOM 708 CG TRP A 45 -6.775 2.602 -19.669 1.00 43.15 C ATOM 709 CD1 TRP A 45 -6.992 2.105 -20.923 1.00 21.34 C ATOM 710 CD2 TRP A 45 -7.805 3.567 -19.435 1.00 53.41 C ATOM 711 NE1 TRP A 45 -8.095 2.703 -21.482 1.00 41.43 N ATOM 712 CE2 TRP A 45 -8.612 3.603 -20.589 1.00 25.41 C ATOM 713 CE3 TRP A 45 -8.126 4.403 -18.362 1.00 1.32 C ATOM 714 CZ2 TRP A 45 -9.718 4.444 -20.697 1.00 64.03 C ATOM 715 CZ3 TRP A 45 -9.223 5.236 -18.472 1.00 34.23 C ATOM 716 CH2 TRP A 45 -10.009 5.252 -19.632 1.00 24.53 C ATOM 0 H TRP A 45 -3.442 3.025 -20.146 1.00 61.52 H new ATOM 0 HA TRP A 45 -5.196 4.203 -18.069 1.00 74.50 H new ATOM 0 HB2 TRP A 45 -5.150 1.350 -19.130 1.00 42.20 H new ATOM 0 HB3 TRP A 45 -6.113 1.908 -17.777 1.00 42.20 H new ATOM 0 HD1 TRP A 45 -6.385 1.352 -21.404 1.00 21.34 H new ATOM 0 HE1 TRP A 45 -8.468 2.508 -22.411 1.00 41.43 H new ATOM 0 HE3 TRP A 45 -7.527 4.398 -17.463 1.00 1.32 H new ATOM 0 HZ2 TRP A 45 -10.324 4.457 -21.591 1.00 64.03 H new ATOM 0 HZ3 TRP A 45 -9.479 5.887 -17.649 1.00 34.23 H new ATOM 0 HH2 TRP A 45 -10.860 5.914 -19.686 1.00 24.53 H new ATOM 727 N LYS A 46 -2.379 3.284 -17.680 1.00 42.21 N ATOM 728 CA LYS A 46 -1.290 2.922 -16.782 1.00 51.21 C ATOM 729 C LYS A 46 -0.682 4.163 -16.134 1.00 0.41 C ATOM 730 O LYS A 46 -0.665 5.238 -16.731 1.00 73.52 O ATOM 731 CB LYS A 46 -0.209 2.150 -17.542 1.00 62.45 C ATOM 732 CG LYS A 46 -0.529 0.676 -17.724 1.00 61.44 C ATOM 733 CD LYS A 46 0.286 -0.192 -16.778 1.00 44.12 C ATOM 734 CE LYS A 46 0.733 -1.480 -17.451 1.00 21.31 C ATOM 735 NZ LYS A 46 1.376 -2.415 -16.486 1.00 41.31 N1+ ATOM 0 H LYS A 46 -2.096 3.856 -18.476 1.00 42.21 H new ATOM 0 HA LYS A 46 -1.698 2.286 -15.996 1.00 51.21 H new ATOM 0 HB2 LYS A 46 -0.069 2.607 -18.522 1.00 62.45 H new ATOM 0 HB3 LYS A 46 0.737 2.245 -17.008 1.00 62.45 H new ATOM 0 HG2 LYS A 46 -1.592 0.509 -17.548 1.00 61.44 H new ATOM 0 HG3 LYS A 46 -0.326 0.383 -18.754 1.00 61.44 H new ATOM 0 HD2 LYS A 46 1.159 0.363 -16.435 1.00 44.12 H new ATOM 0 HD3 LYS A 46 -0.309 -0.428 -15.896 1.00 44.12 H new ATOM 0 HE2 LYS A 46 -0.127 -1.967 -17.911 1.00 21.31 H new ATOM 0 HE3 LYS A 46 1.434 -1.247 -18.253 1.00 21.31 H new ATOM 0 HZ1 LYS A 46 1.667 -3.281 -16.983 1.00 41.31 H new ATOM 0 HZ2 LYS A 46 2.211 -1.960 -16.066 1.00 41.31 H new ATOM 0 HZ3 LYS A 46 0.699 -2.658 -15.735 1.00 41.31 H new ATOM 749 N GLN A 47 -0.186 4.004 -14.912 1.00 64.53 N ATOM 750 CA GLN A 47 0.423 5.112 -14.185 1.00 74.13 C ATOM 751 C GLN A 47 1.531 5.760 -15.008 1.00 13.14 C ATOM 752 O GLN A 47 2.286 5.076 -15.700 1.00 23.10 O ATOM 753 CB GLN A 47 0.984 4.625 -12.847 1.00 24.11 C ATOM 754 CG GLN A 47 0.073 4.914 -11.665 1.00 62.21 C ATOM 755 CD GLN A 47 0.216 3.893 -10.554 1.00 72.54 C ATOM 756 OE1 GLN A 47 1.183 3.132 -10.516 1.00 23.43 O ATOM 757 NE2 GLN A 47 -0.749 3.870 -9.642 1.00 45.00 N ATOM 0 H GLN A 47 -0.194 3.119 -14.404 1.00 64.53 H new ATOM 0 HA GLN A 47 -0.349 5.858 -13.998 1.00 74.13 H new ATOM 0 HB2 GLN A 47 1.160 3.551 -12.905 1.00 24.11 H new ATOM 0 HB3 GLN A 47 1.951 5.098 -12.674 1.00 24.11 H new ATOM 0 HG2 GLN A 47 0.297 5.906 -11.273 1.00 62.21 H new ATOM 0 HG3 GLN A 47 -0.962 4.932 -12.005 1.00 62.21 H new ATOM 0 HE21 GLN A 47 -1.533 4.519 -9.712 1.00 45.00 H new ATOM 0 HE22 GLN A 47 -0.707 3.203 -8.871 1.00 45.00 H new ATOM 766 N CYS A 48 1.622 7.083 -14.931 1.00 31.24 N ATOM 767 CA CYS A 48 2.636 7.824 -15.670 1.00 22.31 C ATOM 768 C CYS A 48 3.727 8.335 -14.732 1.00 55.30 C ATOM 769 O CYS A 48 4.836 8.646 -15.166 1.00 50.32 O ATOM 770 CB CYS A 48 1.999 8.999 -16.414 1.00 73.10 C ATOM 771 SG CYS A 48 1.635 10.440 -15.358 1.00 25.31 S ATOM 0 H CYS A 48 1.005 7.664 -14.364 1.00 31.24 H new ATOM 0 HA CYS A 48 3.089 7.147 -16.394 1.00 22.31 H new ATOM 0 HB2 CYS A 48 2.666 9.311 -17.218 1.00 73.10 H new ATOM 0 HB3 CYS A 48 1.074 8.661 -16.880 1.00 73.10 H new ATOM 776 N ASP A 49 3.404 8.417 -13.446 1.00 45.13 N ATOM 777 CA ASP A 49 4.356 8.888 -12.447 1.00 34.44 C ATOM 778 C ASP A 49 5.681 8.141 -12.566 1.00 31.03 C ATOM 779 O ASP A 49 5.741 6.927 -12.375 1.00 25.13 O ATOM 780 CB ASP A 49 3.781 8.711 -11.041 1.00 20.02 C ATOM 781 CG ASP A 49 4.661 9.330 -9.974 1.00 23.14 C ATOM 782 OD1 ASP A 49 4.780 10.572 -9.949 1.00 10.54 O1- ATOM 783 OD2 ASP A 49 5.233 8.572 -9.162 1.00 41.44 O ATOM 0 H ASP A 49 2.490 8.163 -13.071 1.00 45.13 H new ATOM 0 HA ASP A 49 4.539 9.948 -12.625 1.00 34.44 H new ATOM 0 HB2 ASP A 49 2.790 9.163 -10.997 1.00 20.02 H new ATOM 0 HB3 ASP A 49 3.656 7.648 -10.834 1.00 20.02 H new ATOM 788 N GLY A 50 6.742 8.877 -12.883 1.00 64.44 N ATOM 789 CA GLY A 50 8.052 8.269 -13.023 1.00 42.12 C ATOM 790 C GLY A 50 8.318 7.784 -14.434 1.00 40.31 C ATOM 791 O GLY A 50 9.460 7.794 -14.896 1.00 15.21 O ATOM 0 H GLY A 50 6.717 9.884 -13.045 1.00 64.44 H new ATOM 0 HA2 GLY A 50 8.817 8.992 -12.740 1.00 42.12 H new ATOM 0 HA3 GLY A 50 8.136 7.430 -12.332 1.00 42.12 H new ATOM 795 N ARG A 51 7.264 7.357 -15.120 1.00 1.11 N ATOM 796 CA ARG A 51 7.390 6.863 -16.487 1.00 3.05 C ATOM 797 C ARG A 51 6.712 7.812 -17.472 1.00 2.25 C ATOM 798 O ARG A 51 5.969 7.380 -18.353 1.00 3.34 O ATOM 799 CB ARG A 51 6.778 5.467 -16.605 1.00 51.11 C ATOM 800 CG ARG A 51 7.206 4.519 -15.497 1.00 20.31 C ATOM 801 CD ARG A 51 8.712 4.305 -15.496 1.00 11.03 C ATOM 802 NE ARG A 51 9.154 3.526 -14.344 1.00 71.21 N ATOM 803 CZ ARG A 51 10.428 3.396 -13.989 1.00 71.51 C ATOM 804 NH1 ARG A 51 11.380 3.991 -14.694 1.00 5.32 N1+ ATOM 805 NH2 ARG A 51 10.751 2.670 -12.926 1.00 71.12 N ATOM 0 H ARG A 51 6.313 7.343 -14.752 1.00 1.11 H new ATOM 0 HA ARG A 51 8.451 6.809 -16.732 1.00 3.05 H new ATOM 0 HB2 ARG A 51 5.692 5.554 -16.598 1.00 51.11 H new ATOM 0 HB3 ARG A 51 7.057 5.037 -17.567 1.00 51.11 H new ATOM 0 HG2 ARG A 51 6.894 4.920 -14.533 1.00 20.31 H new ATOM 0 HG3 ARG A 51 6.702 3.561 -15.622 1.00 20.31 H new ATOM 0 HD2 ARG A 51 9.006 3.794 -16.413 1.00 11.03 H new ATOM 0 HD3 ARG A 51 9.215 5.272 -15.494 1.00 11.03 H new ATOM 0 HE ARG A 51 8.446 3.055 -13.780 1.00 71.21 H new ATOM 0 HH11 ARG A 51 11.135 4.550 -15.511 1.00 5.32 H new ATOM 0 HH12 ARG A 51 12.357 3.890 -14.419 1.00 5.32 H new ATOM 0 HH21 ARG A 51 10.021 2.211 -12.381 1.00 71.12 H new ATOM 0 HH22 ARG A 51 11.729 2.571 -12.654 1.00 71.12 H new ATOM 819 N GLU A 52 6.974 9.106 -17.315 1.00 24.42 N ATOM 820 CA GLU A 52 6.389 10.115 -18.190 1.00 31.15 C ATOM 821 C GLU A 52 7.009 10.054 -19.583 1.00 45.14 C ATOM 822 O GLU A 52 6.454 10.583 -20.546 1.00 54.45 O ATOM 823 CB GLU A 52 6.581 11.511 -17.595 1.00 70.10 C ATOM 824 CG GLU A 52 8.027 11.977 -17.588 1.00 13.21 C ATOM 825 CD GLU A 52 8.414 12.696 -18.865 1.00 41.43 C ATOM 826 OE1 GLU A 52 7.557 12.808 -19.767 1.00 61.42 O ATOM 827 OE2 GLU A 52 9.575 13.147 -18.964 1.00 51.44 O1- ATOM 0 H GLU A 52 7.587 9.480 -16.591 1.00 24.42 H new ATOM 0 HA GLU A 52 5.322 9.908 -18.277 1.00 31.15 H new ATOM 0 HB2 GLU A 52 5.981 12.224 -18.161 1.00 70.10 H new ATOM 0 HB3 GLU A 52 6.202 11.516 -16.573 1.00 70.10 H new ATOM 0 HG2 GLU A 52 8.187 12.641 -16.739 1.00 13.21 H new ATOM 0 HG3 GLU A 52 8.681 11.117 -17.447 1.00 13.21 H new ATOM 834 N ARG A 53 8.165 9.404 -19.681 1.00 4.13 N ATOM 835 CA ARG A 53 8.863 9.275 -20.954 1.00 53.25 C ATOM 836 C ARG A 53 9.047 7.806 -21.326 1.00 61.40 C ATOM 837 O ARG A 53 9.940 7.460 -22.100 1.00 72.20 O ATOM 838 CB ARG A 53 10.224 9.971 -20.887 1.00 72.43 C ATOM 839 CG ARG A 53 10.772 10.103 -19.476 1.00 65.33 C ATOM 840 CD ARG A 53 12.286 10.234 -19.476 1.00 3.24 C ATOM 841 NE ARG A 53 12.715 11.617 -19.668 1.00 34.41 N ATOM 842 CZ ARG A 53 13.989 11.995 -19.691 1.00 52.53 C ATOM 843 NH1 ARG A 53 14.952 11.098 -19.534 1.00 75.13 N1+ ATOM 844 NH2 ARG A 53 14.300 13.273 -19.870 1.00 14.35 N ATOM 0 H ARG A 53 8.637 8.959 -18.894 1.00 4.13 H new ATOM 0 HA ARG A 53 8.257 9.753 -21.723 1.00 53.25 H new ATOM 0 HB2 ARG A 53 10.938 9.414 -21.494 1.00 72.43 H new ATOM 0 HB3 ARG A 53 10.137 10.964 -21.328 1.00 72.43 H new ATOM 0 HG2 ARG A 53 10.330 10.975 -18.993 1.00 65.33 H new ATOM 0 HG3 ARG A 53 10.481 9.232 -18.889 1.00 65.33 H new ATOM 0 HD2 ARG A 53 12.682 9.859 -18.532 1.00 3.24 H new ATOM 0 HD3 ARG A 53 12.704 9.612 -20.267 1.00 3.24 H new ATOM 0 HE ARG A 53 11.998 12.332 -19.791 1.00 34.41 H new ATOM 0 HH11 ARG A 53 14.716 10.115 -19.395 1.00 75.13 H new ATOM 0 HH12 ARG A 53 15.929 11.390 -19.552 1.00 75.13 H new ATOM 0 HH21 ARG A 53 13.561 13.966 -19.990 1.00 14.35 H new ATOM 0 HH22 ARG A 53 15.278 13.562 -19.888 1.00 14.35 H new ATOM 858 N ASP A 54 8.199 6.949 -20.770 1.00 54.44 N ATOM 859 CA ASP A 54 8.267 5.518 -21.043 1.00 31.21 C ATOM 860 C ASP A 54 7.025 5.048 -21.791 1.00 61.13 C ATOM 861 O ASP A 54 7.054 4.033 -22.490 1.00 60.01 O ATOM 862 CB ASP A 54 8.421 4.735 -19.738 1.00 61.24 C ATOM 863 CG ASP A 54 9.339 3.538 -19.886 1.00 62.32 C ATOM 864 OD1 ASP A 54 9.091 2.707 -20.784 1.00 42.43 O1- ATOM 865 OD2 ASP A 54 10.306 3.431 -19.102 1.00 42.13 O ATOM 0 H ASP A 54 7.455 7.220 -20.127 1.00 54.44 H new ATOM 0 HA ASP A 54 9.138 5.334 -21.672 1.00 31.21 H new ATOM 0 HB2 ASP A 54 8.813 5.396 -18.965 1.00 61.24 H new ATOM 0 HB3 ASP A 54 7.440 4.398 -19.402 1.00 61.24 H new ATOM 870 N CYS A 55 5.933 5.791 -21.640 1.00 51.44 N ATOM 871 CA CYS A 55 4.678 5.449 -22.300 1.00 52.31 C ATOM 872 C CYS A 55 4.894 5.217 -23.792 1.00 63.35 C ATOM 873 O CYS A 55 5.944 5.555 -24.339 1.00 61.14 O ATOM 874 CB CYS A 55 3.649 6.561 -22.089 1.00 15.01 C ATOM 875 SG CYS A 55 3.327 6.953 -20.339 1.00 50.34 S ATOM 0 H CYS A 55 5.892 6.634 -21.067 1.00 51.44 H new ATOM 0 HA CYS A 55 4.302 4.526 -21.858 1.00 52.31 H new ATOM 0 HB2 CYS A 55 3.995 7.463 -22.595 1.00 15.01 H new ATOM 0 HB3 CYS A 55 2.712 6.269 -22.563 1.00 15.01 H new ATOM 880 N CYS A 56 3.893 4.638 -24.447 1.00 32.14 N ATOM 881 CA CYS A 56 3.971 4.360 -25.876 1.00 3.14 C ATOM 882 C CYS A 56 4.002 5.655 -26.680 1.00 52.12 C ATOM 883 O CYS A 56 3.953 6.750 -26.119 1.00 1.22 O ATOM 884 CB CYS A 56 2.783 3.502 -26.315 1.00 72.45 C ATOM 885 SG CYS A 56 3.121 1.712 -26.321 1.00 3.31 S ATOM 0 H CYS A 56 3.017 4.352 -24.010 1.00 32.14 H new ATOM 0 HA CYS A 56 4.895 3.813 -26.065 1.00 3.14 H new ATOM 0 HB2 CYS A 56 1.941 3.700 -25.652 1.00 72.45 H new ATOM 0 HB3 CYS A 56 2.479 3.807 -27.316 1.00 72.45 H new ATOM 890 N ALA A 57 4.085 5.524 -28.001 1.00 24.11 N ATOM 891 CA ALA A 57 4.120 6.683 -28.883 1.00 42.23 C ATOM 892 C ALA A 57 2.758 7.365 -28.949 1.00 72.42 C ATOM 893 O ALA A 57 1.747 6.729 -29.241 1.00 32.44 O ATOM 894 CB ALA A 57 4.574 6.272 -30.276 1.00 3.21 C ATOM 0 H ALA A 57 4.129 4.626 -28.483 1.00 24.11 H new ATOM 0 HA ALA A 57 4.835 7.397 -28.475 1.00 42.23 H new ATOM 0 HB1 ALA A 57 4.596 7.148 -30.925 1.00 3.21 H new ATOM 0 HB2 ALA A 57 5.572 5.837 -30.220 1.00 3.21 H new ATOM 0 HB3 ALA A 57 3.880 5.536 -30.683 1.00 3.21 H new ATOM 900 N GLY A 58 2.739 8.666 -28.672 1.00 45.51 N ATOM 901 CA GLY A 58 1.496 9.413 -28.704 1.00 33.35 C ATOM 902 C GLY A 58 0.922 9.643 -27.321 1.00 32.21 C ATOM 903 O GLY A 58 0.047 10.490 -27.135 1.00 4.20 O ATOM 0 H GLY A 58 3.563 9.215 -28.426 1.00 45.51 H new ATOM 0 HA2 GLY A 58 1.666 10.375 -29.188 1.00 33.35 H new ATOM 0 HA3 GLY A 58 0.768 8.875 -29.311 1.00 33.35 H new ATOM 907 N LEU A 59 1.411 8.885 -26.346 1.00 62.12 N ATOM 908 CA LEU A 59 0.941 9.008 -24.971 1.00 12.44 C ATOM 909 C LEU A 59 1.687 10.116 -24.236 1.00 51.41 C ATOM 910 O LEU A 59 2.657 10.671 -24.752 1.00 13.31 O ATOM 911 CB LEU A 59 1.116 7.680 -24.230 1.00 0.22 C ATOM 912 CG LEU A 59 0.065 6.607 -24.518 1.00 50.25 C ATOM 913 CD1 LEU A 59 0.369 5.340 -23.734 1.00 1.55 C ATOM 914 CD2 LEU A 59 -1.327 7.122 -24.185 1.00 50.20 C ATOM 0 H LEU A 59 2.134 8.178 -26.482 1.00 62.12 H new ATOM 0 HA LEU A 59 -0.118 9.265 -24.998 1.00 12.44 H new ATOM 0 HB2 LEU A 59 2.097 7.275 -24.478 1.00 0.22 H new ATOM 0 HB3 LEU A 59 1.116 7.882 -23.159 1.00 0.22 H new ATOM 0 HG LEU A 59 0.097 6.369 -25.581 1.00 50.25 H new ATOM 0 HD11 LEU A 59 -0.389 4.587 -23.951 1.00 1.55 H new ATOM 0 HD12 LEU A 59 1.350 4.961 -24.021 1.00 1.55 H new ATOM 0 HD13 LEU A 59 0.364 5.562 -22.667 1.00 1.55 H new ATOM 0 HD21 LEU A 59 -2.062 6.346 -24.396 1.00 50.20 H new ATOM 0 HD22 LEU A 59 -1.373 7.388 -23.129 1.00 50.20 H new ATOM 0 HD23 LEU A 59 -1.544 8.002 -24.791 1.00 50.20 H new ATOM 926 N GLU A 60 1.230 10.431 -23.028 1.00 13.01 N ATOM 927 CA GLU A 60 1.857 11.473 -22.223 1.00 5.33 C ATOM 928 C GLU A 60 1.407 11.380 -20.768 1.00 35.33 C ATOM 929 O GLU A 60 0.337 10.848 -20.469 1.00 50.25 O ATOM 930 CB GLU A 60 1.520 12.855 -22.785 1.00 50.33 C ATOM 931 CG GLU A 60 0.052 13.225 -22.653 1.00 41.10 C ATOM 932 CD GLU A 60 -0.382 14.261 -23.672 1.00 3.12 C ATOM 933 OE1 GLU A 60 -0.431 13.928 -24.874 1.00 2.21 O1- ATOM 934 OE2 GLU A 60 -0.674 15.406 -23.265 1.00 52.34 O ATOM 0 H GLU A 60 0.429 9.980 -22.586 1.00 13.01 H new ATOM 0 HA GLU A 60 2.936 11.327 -22.262 1.00 5.33 H new ATOM 0 HB2 GLU A 60 2.122 13.604 -22.271 1.00 50.33 H new ATOM 0 HB3 GLU A 60 1.801 12.888 -23.838 1.00 50.33 H new ATOM 0 HG2 GLU A 60 -0.557 12.328 -22.770 1.00 41.10 H new ATOM 0 HG3 GLU A 60 -0.134 13.608 -21.649 1.00 41.10 H new ATOM 941 N CYS A 61 2.232 11.900 -19.865 1.00 32.21 N ATOM 942 CA CYS A 61 1.921 11.877 -18.441 1.00 32.23 C ATOM 943 C CYS A 61 0.686 12.721 -18.139 1.00 41.14 C ATOM 944 O CYS A 61 0.777 13.939 -17.990 1.00 25.31 O ATOM 945 CB CYS A 61 3.113 12.387 -17.629 1.00 74.11 C ATOM 946 SG CYS A 61 3.117 11.842 -15.891 1.00 3.45 S ATOM 0 H CYS A 61 3.122 12.343 -20.095 1.00 32.21 H new ATOM 0 HA CYS A 61 1.712 10.846 -18.157 1.00 32.23 H new ATOM 0 HB2 CYS A 61 4.034 12.051 -18.106 1.00 74.11 H new ATOM 0 HB3 CYS A 61 3.118 13.477 -17.657 1.00 74.11 H new ATOM 951 N TRP A 62 -0.465 12.065 -18.050 1.00 31.21 N ATOM 952 CA TRP A 62 -1.718 12.756 -17.766 1.00 62.54 C ATOM 953 C TRP A 62 -1.858 13.036 -16.274 1.00 11.34 C ATOM 954 O TRP A 62 -1.640 12.154 -15.442 1.00 63.25 O ATOM 955 CB TRP A 62 -2.904 11.923 -18.255 1.00 22.53 C ATOM 956 CG TRP A 62 -4.143 12.735 -18.489 1.00 0.54 C ATOM 957 CD1 TRP A 62 -4.245 14.097 -18.470 1.00 53.01 C ATOM 958 CD2 TRP A 62 -5.453 12.236 -18.777 1.00 52.14 C ATOM 959 NE1 TRP A 62 -5.541 14.474 -18.727 1.00 22.43 N ATOM 960 CE2 TRP A 62 -6.302 13.351 -18.920 1.00 12.12 C ATOM 961 CE3 TRP A 62 -5.992 10.956 -18.928 1.00 70.44 C ATOM 962 CZ2 TRP A 62 -7.658 13.222 -19.206 1.00 63.23 C ATOM 963 CZ3 TRP A 62 -7.339 10.829 -19.212 1.00 22.24 C ATOM 964 CH2 TRP A 62 -8.159 11.956 -19.350 1.00 43.24 C ATOM 0 H TRP A 62 -0.557 11.056 -18.170 1.00 31.21 H new ATOM 0 HA TRP A 62 -1.709 13.708 -18.296 1.00 62.54 H new ATOM 0 HB2 TRP A 62 -2.628 11.419 -19.181 1.00 22.53 H new ATOM 0 HB3 TRP A 62 -3.120 11.146 -17.522 1.00 22.53 H new ATOM 0 HD1 TRP A 62 -3.428 14.777 -18.281 1.00 53.01 H new ATOM 0 HE1 TRP A 62 -5.882 15.435 -18.768 1.00 22.43 H new ATOM 0 HE3 TRP A 62 -5.367 10.081 -18.825 1.00 70.44 H new ATOM 0 HZ2 TRP A 62 -8.292 14.090 -19.311 1.00 63.23 H new ATOM 0 HZ3 TRP A 62 -7.766 9.844 -19.329 1.00 22.24 H new ATOM 0 HH2 TRP A 62 -9.207 11.824 -19.574 1.00 43.24 H new ATOM 975 N LYS A 63 -2.224 14.269 -15.940 1.00 23.40 N ATOM 976 CA LYS A 63 -2.395 14.666 -14.548 1.00 52.14 C ATOM 977 C LYS A 63 -3.869 14.653 -14.155 1.00 24.33 C ATOM 978 O LYS A 63 -4.601 15.606 -14.421 1.00 41.02 O ATOM 979 CB LYS A 63 -1.808 16.060 -14.318 1.00 44.12 C ATOM 980 CG LYS A 63 -1.286 16.275 -12.907 1.00 53.51 C ATOM 981 CD LYS A 63 -2.380 16.775 -11.978 1.00 4.40 C ATOM 982 CE LYS A 63 -2.737 18.225 -12.264 1.00 40.12 C ATOM 983 NZ LYS A 63 -3.367 18.884 -11.087 1.00 71.35 N1+ ATOM 0 H LYS A 63 -2.408 15.011 -16.615 1.00 23.40 H new ATOM 0 HA LYS A 63 -1.864 13.947 -13.924 1.00 52.14 H new ATOM 0 HB2 LYS A 63 -0.996 16.224 -15.026 1.00 44.12 H new ATOM 0 HB3 LYS A 63 -2.573 16.807 -14.531 1.00 44.12 H new ATOM 0 HG2 LYS A 63 -0.880 15.340 -12.522 1.00 53.51 H new ATOM 0 HG3 LYS A 63 -0.467 16.994 -12.927 1.00 53.51 H new ATOM 0 HD2 LYS A 63 -3.267 16.152 -12.091 1.00 4.40 H new ATOM 0 HD3 LYS A 63 -2.052 16.678 -10.943 1.00 4.40 H new ATOM 0 HE2 LYS A 63 -1.837 18.771 -12.548 1.00 40.12 H new ATOM 0 HE3 LYS A 63 -3.419 18.270 -13.113 1.00 40.12 H new ATOM 0 HZ1 LYS A 63 -3.595 19.871 -11.323 1.00 71.35 H new ATOM 0 HZ2 LYS A 63 -4.239 18.378 -10.832 1.00 71.35 H new ATOM 0 HZ3 LYS A 63 -2.707 18.864 -10.283 1.00 71.35 H new ATOM 997 N ARG A 64 -4.298 13.567 -13.520 1.00 23.41 N ATOM 998 CA ARG A 64 -5.685 13.429 -13.092 1.00 20.52 C ATOM 999 C ARG A 64 -5.772 13.271 -11.576 1.00 15.01 C ATOM 1000 O ARG A 64 -5.110 12.411 -10.994 1.00 71.20 O ATOM 1001 CB ARG A 64 -6.337 12.229 -13.779 1.00 61.21 C ATOM 1002 CG ARG A 64 -7.346 12.616 -14.849 1.00 3.44 C ATOM 1003 CD ARG A 64 -7.447 11.551 -15.930 1.00 21.45 C ATOM 1004 NE ARG A 64 -8.739 10.873 -15.913 1.00 4.33 N ATOM 1005 CZ ARG A 64 -9.871 11.437 -16.321 1.00 63.22 C ATOM 1006 NH1 ARG A 64 -9.868 12.681 -16.777 1.00 72.12 N1+ ATOM 1007 NH2 ARG A 64 -11.008 10.753 -16.275 1.00 55.42 N ATOM 0 H ARG A 64 -3.705 12.770 -13.291 1.00 23.41 H new ATOM 0 HA ARG A 64 -6.219 14.335 -13.378 1.00 20.52 H new ATOM 0 HB2 ARG A 64 -5.560 11.612 -14.230 1.00 61.21 H new ATOM 0 HB3 ARG A 64 -6.834 11.616 -13.027 1.00 61.21 H new ATOM 0 HG2 ARG A 64 -8.324 12.766 -14.391 1.00 3.44 H new ATOM 0 HG3 ARG A 64 -7.056 13.566 -15.298 1.00 3.44 H new ATOM 0 HD2 ARG A 64 -7.292 12.010 -16.906 1.00 21.45 H new ATOM 0 HD3 ARG A 64 -6.652 10.818 -15.792 1.00 21.45 H new ATOM 0 HE ARG A 64 -8.775 9.913 -15.569 1.00 4.33 H new ATOM 0 HH11 ARG A 64 -8.996 13.208 -16.815 1.00 72.12 H new ATOM 0 HH12 ARG A 64 -10.738 13.112 -17.090 1.00 72.12 H new ATOM 0 HH21 ARG A 64 -11.013 9.794 -15.926 1.00 55.42 H new ATOM 0 HH22 ARG A 64 -11.877 11.186 -16.588 1.00 55.42 H new ATOM 1021 N SER A 65 -6.592 14.104 -10.945 1.00 20.12 N ATOM 1022 CA SER A 65 -6.762 14.060 -9.498 1.00 63.33 C ATOM 1023 C SER A 65 -8.241 14.070 -9.124 1.00 1.01 C ATOM 1024 O SER A 65 -9.036 14.800 -9.714 1.00 23.41 O ATOM 1025 CB SER A 65 -6.050 15.244 -8.841 1.00 25.02 C ATOM 1026 OG SER A 65 -4.671 15.254 -9.167 1.00 51.35 O ATOM 0 H SER A 65 -7.150 14.818 -11.413 1.00 20.12 H new ATOM 0 HA SER A 65 -6.319 13.133 -9.134 1.00 63.33 H new ATOM 0 HB2 SER A 65 -6.511 16.176 -9.167 1.00 25.02 H new ATOM 0 HB3 SER A 65 -6.171 15.190 -7.759 1.00 25.02 H new ATOM 0 HG SER A 65 -4.239 16.021 -8.737 1.00 51.35 H new ATOM 1032 N GLY A 66 -8.603 13.254 -8.139 1.00 0.14 N ATOM 1033 CA GLY A 66 -9.986 13.185 -7.702 1.00 32.50 C ATOM 1034 C GLY A 66 -10.630 11.853 -8.032 1.00 23.21 C ATOM 1035 O GLY A 66 -11.586 11.440 -7.375 1.00 21.34 O ATOM 0 H GLY A 66 -7.964 12.639 -7.635 1.00 0.14 H new ATOM 0 HA2 GLY A 66 -10.033 13.352 -6.626 1.00 32.50 H new ATOM 0 HA3 GLY A 66 -10.554 13.987 -8.174 1.00 32.50 H new ATOM 1039 N ASN A 67 -10.108 11.180 -9.052 1.00 74.50 N ATOM 1040 CA ASN A 67 -10.641 9.889 -9.468 1.00 52.31 C ATOM 1041 C ASN A 67 -9.632 8.774 -9.209 1.00 13.21 C ATOM 1042 O ASN A 67 -9.960 7.752 -8.607 1.00 42.14 O ATOM 1043 CB ASN A 67 -11.011 9.921 -10.952 1.00 3.14 C ATOM 1044 CG ASN A 67 -11.904 8.761 -11.352 1.00 15.32 C ATOM 1045 OD1 ASN A 67 -12.997 8.590 -10.810 1.00 62.04 O ATOM 1046 ND2 ASN A 67 -11.443 7.958 -12.302 1.00 50.12 N ATOM 0 H ASN A 67 -9.316 11.508 -9.605 1.00 74.50 H new ATOM 0 HA ASN A 67 -11.537 9.688 -8.880 1.00 52.31 H new ATOM 0 HB2 ASN A 67 -11.517 10.860 -11.177 1.00 3.14 H new ATOM 0 HB3 ASN A 67 -10.101 9.898 -11.551 1.00 3.14 H new ATOM 0 HD21 ASN A 67 -12.000 7.161 -12.611 1.00 50.12 H new ATOM 0 HD22 ASN A 67 -10.532 8.137 -12.724 1.00 50.12 H new ATOM 1053 N LYS A 68 -8.401 8.980 -9.667 1.00 13.24 N ATOM 1054 CA LYS A 68 -7.342 7.994 -9.483 1.00 70.13 C ATOM 1055 C LYS A 68 -5.968 8.656 -9.541 1.00 24.21 C ATOM 1056 O LYS A 68 -5.860 9.869 -9.721 1.00 24.20 O ATOM 1057 CB LYS A 68 -7.440 6.905 -10.552 1.00 61.12 C ATOM 1058 CG LYS A 68 -8.163 5.655 -10.082 1.00 42.15 C ATOM 1059 CD LYS A 68 -7.187 4.546 -9.724 1.00 51.10 C ATOM 1060 CE LYS A 68 -7.849 3.178 -9.793 1.00 54.14 C ATOM 1061 NZ LYS A 68 -8.943 3.040 -8.792 1.00 5.22 N1+ ATOM 0 H LYS A 68 -8.113 9.820 -10.168 1.00 13.24 H new ATOM 0 HA LYS A 68 -7.467 7.541 -8.500 1.00 70.13 H new ATOM 0 HB2 LYS A 68 -7.957 7.308 -11.423 1.00 61.12 H new ATOM 0 HB3 LYS A 68 -6.435 6.633 -10.875 1.00 61.12 H new ATOM 0 HG2 LYS A 68 -8.778 5.894 -9.214 1.00 42.15 H new ATOM 0 HG3 LYS A 68 -8.838 5.308 -10.865 1.00 42.15 H new ATOM 0 HD2 LYS A 68 -6.336 4.575 -10.405 1.00 51.10 H new ATOM 0 HD3 LYS A 68 -6.797 4.713 -8.720 1.00 51.10 H new ATOM 0 HE2 LYS A 68 -8.250 3.019 -10.794 1.00 54.14 H new ATOM 0 HE3 LYS A 68 -7.101 2.404 -9.623 1.00 54.14 H new ATOM 0 HZ1 LYS A 68 -9.323 2.073 -8.825 1.00 5.22 H new ATOM 0 HZ2 LYS A 68 -8.570 3.233 -7.841 1.00 5.22 H new ATOM 0 HZ3 LYS A 68 -9.701 3.718 -9.011 1.00 5.22 H new ATOM 1075 N SER A 69 -4.922 7.850 -9.388 1.00 71.50 N ATOM 1076 CA SER A 69 -3.556 8.358 -9.421 1.00 14.31 C ATOM 1077 C SER A 69 -3.209 8.895 -10.806 1.00 24.23 C ATOM 1078 O SER A 69 -4.022 8.839 -11.727 1.00 73.23 O ATOM 1079 CB SER A 69 -2.570 7.256 -9.026 1.00 24.24 C ATOM 1080 OG SER A 69 -2.240 7.335 -7.651 1.00 64.42 O ATOM 0 H SER A 69 -4.995 6.843 -9.240 1.00 71.50 H new ATOM 0 HA SER A 69 -3.481 9.176 -8.705 1.00 14.31 H new ATOM 0 HB2 SER A 69 -3.004 6.280 -9.243 1.00 24.24 H new ATOM 0 HB3 SER A 69 -1.664 7.342 -9.626 1.00 24.24 H new ATOM 0 HG SER A 69 -1.610 6.619 -7.424 1.00 64.42 H new ATOM 1086 N SER A 70 -1.993 9.415 -10.944 1.00 24.02 N ATOM 1087 CA SER A 70 -1.538 9.966 -12.215 1.00 70.11 C ATOM 1088 C SER A 70 -1.377 8.865 -13.259 1.00 12.53 C ATOM 1089 O SER A 70 -0.597 7.930 -13.076 1.00 34.55 O ATOM 1090 CB SER A 70 -0.211 10.705 -12.029 1.00 35.12 C ATOM 1091 OG SER A 70 -0.076 11.184 -10.702 1.00 4.53 O ATOM 0 H SER A 70 -1.306 9.466 -10.192 1.00 24.02 H new ATOM 0 HA SER A 70 -2.292 10.670 -12.568 1.00 70.11 H new ATOM 0 HB2 SER A 70 0.617 10.036 -12.264 1.00 35.12 H new ATOM 0 HB3 SER A 70 -0.155 11.540 -12.728 1.00 35.12 H new ATOM 0 HG SER A 70 0.781 11.651 -10.608 1.00 4.53 H new ATOM 1097 N VAL A 71 -2.123 8.982 -14.353 1.00 24.14 N ATOM 1098 CA VAL A 71 -2.064 7.997 -15.427 1.00 51.23 C ATOM 1099 C VAL A 71 -1.605 8.636 -16.733 1.00 35.12 C ATOM 1100 O VAL A 71 -1.369 9.844 -16.797 1.00 54.32 O ATOM 1101 CB VAL A 71 -3.433 7.328 -15.650 1.00 54.41 C ATOM 1102 CG1 VAL A 71 -3.734 6.342 -14.532 1.00 13.52 C ATOM 1103 CG2 VAL A 71 -4.529 8.378 -15.755 1.00 25.23 C ATOM 0 H VAL A 71 -2.775 9.749 -14.519 1.00 24.14 H new ATOM 0 HA VAL A 71 -1.342 7.239 -15.123 1.00 51.23 H new ATOM 0 HB VAL A 71 -3.399 6.776 -16.589 1.00 54.41 H new ATOM 0 HG11 VAL A 71 -4.705 5.879 -14.707 1.00 13.52 H new ATOM 0 HG12 VAL A 71 -2.964 5.571 -14.509 1.00 13.52 H new ATOM 0 HG13 VAL A 71 -3.749 6.868 -13.577 1.00 13.52 H new ATOM 0 HG21 VAL A 71 -5.489 7.887 -15.912 1.00 25.23 H new ATOM 0 HG22 VAL A 71 -4.565 8.959 -14.834 1.00 25.23 H new ATOM 0 HG23 VAL A 71 -4.319 9.041 -16.594 1.00 25.23 H new ATOM 1113 N CYS A 72 -1.479 7.819 -17.773 1.00 12.23 N ATOM 1114 CA CYS A 72 -1.048 8.302 -19.078 1.00 12.45 C ATOM 1115 C CYS A 72 -2.229 8.402 -20.039 1.00 40.11 C ATOM 1116 O CYS A 72 -3.225 7.694 -19.891 1.00 33.42 O ATOM 1117 CB CYS A 72 0.021 7.375 -19.662 1.00 45.13 C ATOM 1118 SG CYS A 72 1.678 8.125 -19.769 1.00 32.40 S ATOM 0 H CYS A 72 -1.670 6.818 -17.737 1.00 12.23 H new ATOM 0 HA CYS A 72 -0.624 9.297 -18.946 1.00 12.45 H new ATOM 0 HB2 CYS A 72 0.080 6.475 -19.050 1.00 45.13 H new ATOM 0 HB3 CYS A 72 -0.290 7.062 -20.659 1.00 45.13 H new ATOM 1123 N ALA A 73 -2.111 9.287 -21.024 1.00 13.24 N ATOM 1124 CA ALA A 73 -3.166 9.477 -22.010 1.00 74.50 C ATOM 1125 C ALA A 73 -2.586 9.834 -23.375 1.00 24.12 C ATOM 1126 O ALA A 73 -1.464 10.327 -23.489 1.00 21.35 O ATOM 1127 CB ALA A 73 -4.131 10.559 -21.547 1.00 34.14 C ATOM 0 H ALA A 73 -1.295 9.883 -21.160 1.00 13.24 H new ATOM 0 HA ALA A 73 -3.709 8.537 -22.110 1.00 74.50 H new ATOM 0 HB1 ALA A 73 -4.915 10.691 -22.293 1.00 34.14 H new ATOM 0 HB2 ALA A 73 -4.579 10.265 -20.598 1.00 34.14 H new ATOM 0 HB3 ALA A 73 -3.591 11.497 -21.418 1.00 34.14 H new ATOM 1133 N PRO A 74 -3.367 9.578 -24.435 1.00 1.12 N ATOM 1134 CA PRO A 74 -2.950 9.864 -25.811 1.00 3.31 C ATOM 1135 C PRO A 74 -2.882 11.360 -26.098 1.00 22.40 C ATOM 1136 O PRO A 74 -3.249 12.180 -25.255 1.00 42.32 O ATOM 1137 CB PRO A 74 -4.044 9.208 -26.657 1.00 34.51 C ATOM 1138 CG PRO A 74 -5.241 9.176 -25.770 1.00 43.20 C ATOM 1139 CD PRO A 74 -4.716 8.992 -24.373 1.00 71.33 C ATOM 0 HA PRO A 74 -1.948 9.489 -26.019 1.00 3.31 H new ATOM 0 HB2 PRO A 74 -4.239 9.780 -27.564 1.00 34.51 H new ATOM 0 HB3 PRO A 74 -3.755 8.204 -26.968 1.00 34.51 H new ATOM 0 HG2 PRO A 74 -5.813 10.100 -25.853 1.00 43.20 H new ATOM 0 HG3 PRO A 74 -5.910 8.361 -26.046 1.00 43.20 H new ATOM 0 HD2 PRO A 74 -5.341 9.500 -23.639 1.00 71.33 H new ATOM 0 HD3 PRO A 74 -4.684 7.940 -24.091 1.00 71.33 H new ATOM 1147 N ILE A 75 -2.410 11.709 -27.290 1.00 63.22 N ATOM 1148 CA ILE A 75 -2.297 13.107 -27.687 1.00 21.04 C ATOM 1149 C ILE A 75 -3.639 13.823 -27.571 1.00 1.24 C ATOM 1150 O ILE A 75 -4.697 13.208 -27.708 1.00 71.12 O ATOM 1151 CB ILE A 75 -1.779 13.242 -29.132 1.00 11.12 C ATOM 1152 CG1 ILE A 75 -2.565 12.321 -30.066 1.00 51.41 C ATOM 1153 CG2 ILE A 75 -0.293 12.924 -29.193 1.00 51.24 C ATOM 1154 CD1 ILE A 75 -2.462 12.709 -31.525 1.00 54.32 C ATOM 0 H ILE A 75 -2.100 11.043 -27.998 1.00 63.22 H new ATOM 0 HA ILE A 75 -1.581 13.570 -27.008 1.00 21.04 H new ATOM 0 HB ILE A 75 -1.924 14.271 -29.460 1.00 11.12 H new ATOM 0 HG12 ILE A 75 -2.205 11.300 -29.944 1.00 51.41 H new ATOM 0 HG13 ILE A 75 -3.614 12.326 -29.770 1.00 51.41 H new ATOM 0 HG21 ILE A 75 0.059 13.024 -30.220 1.00 51.24 H new ATOM 0 HG22 ILE A 75 0.254 13.617 -28.553 1.00 51.24 H new ATOM 0 HG23 ILE A 75 -0.125 11.903 -28.849 1.00 51.24 H new ATOM 0 HD11 ILE A 75 -3.044 12.012 -32.129 1.00 54.32 H new ATOM 0 HD12 ILE A 75 -2.850 13.719 -31.661 1.00 54.32 H new ATOM 0 HD13 ILE A 75 -1.418 12.676 -31.838 1.00 54.32 H new ATOM 1166 N THR A 76 -3.587 15.127 -27.320 1.00 52.02 N ATOM 1167 CA THR A 76 -4.798 15.928 -27.186 1.00 31.24 C ATOM 1168 C THR A 76 -4.669 17.248 -27.936 1.00 33.21 C ATOM 1169 O THR A 76 -3.897 18.123 -27.544 1.00 71.35 O ATOM 1170 CB THR A 76 -5.119 16.218 -25.708 1.00 2.31 C ATOM 1171 OG1 THR A 76 -4.007 16.869 -25.084 1.00 24.25 O ATOM 1172 CG2 THR A 76 -5.444 14.933 -24.962 1.00 61.00 C ATOM 0 H THR A 76 -2.720 15.651 -27.205 1.00 52.02 H new ATOM 0 HA THR A 76 -5.612 15.346 -27.619 1.00 31.24 H new ATOM 0 HB THR A 76 -5.991 16.872 -25.670 1.00 2.31 H new ATOM 0 HG1 THR A 76 -3.595 17.493 -25.718 1.00 24.25 H new ATOM 0 HG21 THR A 76 -5.667 15.164 -23.920 1.00 61.00 H new ATOM 0 HG22 THR A 76 -6.309 14.455 -25.421 1.00 61.00 H new ATOM 0 HG23 THR A 76 -4.589 14.259 -25.009 1.00 61.00 H new TER 1180 THR A 76