USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 662 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 Set 1.1: A 58 LYS NZ :NH3+ -178:sc= 1.47 (180deg=0.56) USER MOD Set 1.2: A 62 SER OG : rot 75:sc= 1.84 USER MOD Set 1.3: A 66 TYR OH : rot 180:sc= 0.161 USER MOD Set 2.1: A 53 GLN : amide:sc= 0.876 K(o=2,f=-0.18) USER MOD Set 2.2: A 56 GLN : amide:sc= 1.1 K(o=2,f=-0.053) USER MOD Set 3.1: A 48 CYS SG : rot 140:sc= 0.255 USER MOD Set 3.2: A 54 SER OG : rot 108:sc= 1.18 USER MOD Set 3.3: A 71 ASN : amide:sc= 1.16 K(o=2.6,f=-1.8) USER MOD Set 4.1: A 41 ASN : amide:sc= 0.633 X(o=0.85,f=0.89) USER MOD Set 4.2: A 67 THR OG1 : rot -123:sc= 0.288 USER MOD Set 4.3: A 68 HIS : no HD1:sc= -0.0705 X(o=0.85,f=0.89) USER MOD Set 5.1: A 12 GLN : amide:sc= 1.25 K(o=2.4,f=0.82) USER MOD Set 5.2: A 47 TYR OH : rot 15:sc= 0.239 USER MOD Set 5.3: A 49 ASN : amide:sc= 0.922 K(o=2.4,f=0.82) USER MOD Single : A 1 ALA N :NH3+ 173:sc= 1.18 (180deg=1.11) USER MOD Single : A 3 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.4!) USER MOD Single : A 13 TYR OH : rot -6:sc= 1.14 USER MOD Single : A 14 GLN : amide:sc= 0.858 K(o=0.86,f=-0.042) USER MOD Single : A 15 GLN : amide:sc= 1.14 K(o=1.1,f=-0.0016) USER MOD Single : A 17 HIS : no HE2:sc= 0.738 K(o=0.74,f=-3.1!) USER MOD Single : A 19 GLN : amide:sc= 0.588 K(o=0.59,f=0) USER MOD Single : A 23 ASN : amide:sc= 1.88 K(o=1.9,f=-0.6) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 37:sc= 1.05 USER MOD Single : A 40 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.13) USER MOD Single : A 43 THR OG1 : rot 95:sc= 1.11 USER MOD Single : A 45 LYS NZ :NH3+ -179:sc= 1.34 (180deg=1.28) USER MOD Single : A 64 MET CE :methyl 169:sc= -0.0246 (180deg=-0.22) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 175:sc= 0 (180deg=-0.0193) USER MOD Single : A 82 LYS NZ :NH3+ -176:sc= 1.41 (180deg=1.38) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.127 0.517 -1.284 1.00 0.00 N ATOM 2 CA ALA A 1 -1.189 0.082 -2.339 1.00 0.00 C ATOM 3 C ALA A 1 -0.537 1.315 -2.980 1.00 0.00 C ATOM 4 O ALA A 1 -0.582 2.415 -2.419 1.00 0.00 O ATOM 5 CB ALA A 1 -1.897 -0.827 -3.365 1.00 0.00 C ATOM 0 H1 ALA A 1 -2.657 -0.305 -0.930 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.594 0.949 -0.502 1.00 0.00 H new ATOM 0 H3 ALA A 1 -2.792 1.214 -1.676 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.394 -0.522 -1.901 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -1.185 -1.134 -4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -2.289 -1.710 -2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -2.718 -0.281 -3.830 1.00 0.00 H new ATOM 13 N GLU A 2 0.110 1.142 -4.135 1.00 0.00 N ATOM 14 CA GLU A 2 0.702 2.214 -4.926 1.00 0.00 C ATOM 15 C GLU A 2 0.458 1.898 -6.403 1.00 0.00 C ATOM 16 O GLU A 2 0.426 0.725 -6.791 1.00 0.00 O ATOM 17 CB GLU A 2 2.216 2.324 -4.661 1.00 0.00 C ATOM 18 CG GLU A 2 2.594 2.731 -3.231 1.00 0.00 C ATOM 19 CD GLU A 2 4.120 2.800 -3.054 1.00 0.00 C ATOM 20 OE1 GLU A 2 4.708 3.878 -3.295 1.00 0.00 O ATOM 21 OE2 GLU A 2 4.736 1.790 -2.641 1.00 0.00 O ATOM 0 H GLU A 2 0.238 0.222 -4.555 1.00 0.00 H new ATOM 0 HA GLU A 2 0.246 3.165 -4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 2 2.680 1.363 -4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.639 3.051 -5.354 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.155 3.701 -2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.176 2.014 -2.524 1.00 0.00 H new ATOM 28 N HIS A 3 0.327 2.944 -7.219 1.00 0.00 N ATOM 29 CA HIS A 3 0.171 2.883 -8.666 1.00 0.00 C ATOM 30 C HIS A 3 0.958 4.043 -9.280 1.00 0.00 C ATOM 31 O HIS A 3 1.154 5.077 -8.633 1.00 0.00 O ATOM 32 CB HIS A 3 -1.317 2.994 -9.037 1.00 0.00 C ATOM 33 CG HIS A 3 -2.118 1.738 -8.782 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.800 1.402 -7.632 1.00 0.00 N ATOM 35 CD2 HIS A 3 -2.327 0.723 -9.678 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.394 0.215 -7.830 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.137 -0.246 -9.069 1.00 0.00 N ATOM 0 H HIS A 3 0.327 3.902 -6.868 1.00 0.00 H new ATOM 0 HA HIS A 3 0.548 1.934 -9.048 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.760 3.814 -8.472 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.398 3.254 -10.092 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -2.845 1.959 -6.779 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.934 0.677 -10.683 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -3.996 -0.300 -7.096 1.00 0.00 H new ATOM 45 N TRP A 4 1.369 3.894 -10.541 1.00 0.00 N ATOM 46 CA TRP A 4 2.188 4.861 -11.261 1.00 0.00 C ATOM 47 C TRP A 4 1.639 5.001 -12.674 1.00 0.00 C ATOM 48 O TRP A 4 1.114 4.037 -13.235 1.00 0.00 O ATOM 49 CB TRP A 4 3.646 4.387 -11.318 1.00 0.00 C ATOM 50 CG TRP A 4 4.321 4.187 -9.996 1.00 0.00 C ATOM 51 CD1 TRP A 4 5.096 5.098 -9.369 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.289 3.022 -9.114 1.00 0.00 C ATOM 53 NE1 TRP A 4 5.527 4.594 -8.159 1.00 0.00 N ATOM 54 CE2 TRP A 4 5.050 3.318 -7.942 1.00 0.00 C ATOM 55 CE3 TRP A 4 3.691 1.745 -9.183 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.203 2.397 -6.894 1.00 0.00 C ATOM 57 CZ3 TRP A 4 3.838 0.813 -8.137 1.00 0.00 C ATOM 58 CH2 TRP A 4 4.594 1.136 -6.996 1.00 0.00 C ATOM 0 H TRP A 4 1.133 3.075 -11.101 1.00 0.00 H new ATOM 0 HA TRP A 4 2.158 5.822 -10.747 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.681 3.446 -11.868 1.00 0.00 H new ATOM 0 HB3 TRP A 4 4.222 5.113 -11.892 1.00 0.00 H new ATOM 0 HD1 TRP A 4 5.342 6.075 -9.757 1.00 0.00 H new ATOM 0 HE1 TRP A 4 6.124 5.102 -7.506 1.00 0.00 H new ATOM 0 HE3 TRP A 4 3.110 1.478 -10.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 5.782 2.655 -6.020 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 3.367 -0.156 -8.212 1.00 0.00 H new ATOM 0 HH2 TRP A 4 4.706 0.415 -6.200 1.00 0.00 H new ATOM 69 N ILE A 5 1.776 6.189 -13.259 1.00 0.00 N ATOM 70 CA ILE A 5 1.257 6.514 -14.578 1.00 0.00 C ATOM 71 C ILE A 5 2.274 7.456 -15.223 1.00 0.00 C ATOM 72 O ILE A 5 2.756 8.381 -14.567 1.00 0.00 O ATOM 73 CB ILE A 5 -0.140 7.182 -14.475 1.00 0.00 C ATOM 74 CG1 ILE A 5 -1.236 6.305 -13.820 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.648 7.554 -15.871 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.404 6.553 -12.318 1.00 0.00 C ATOM 0 H ILE A 5 2.263 6.968 -12.816 1.00 0.00 H new ATOM 0 HA ILE A 5 1.124 5.615 -15.180 1.00 0.00 H new ATOM 0 HB ILE A 5 0.020 8.050 -13.836 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -2.186 6.493 -14.319 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.994 5.255 -13.981 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.629 8.022 -15.788 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.048 8.251 -16.338 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -0.726 6.654 -16.482 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.188 5.904 -11.928 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -0.466 6.337 -11.806 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.678 7.595 -12.150 1.00 0.00 H new ATOM 88 N ASP A 6 2.581 7.212 -16.495 1.00 0.00 N ATOM 89 CA ASP A 6 3.320 8.125 -17.354 1.00 0.00 C ATOM 90 C ASP A 6 2.283 9.002 -18.040 1.00 0.00 C ATOM 91 O ASP A 6 1.462 8.492 -18.806 1.00 0.00 O ATOM 92 CB ASP A 6 4.087 7.359 -18.433 1.00 0.00 C ATOM 93 CG ASP A 6 4.589 8.276 -19.561 1.00 0.00 C ATOM 94 OD1 ASP A 6 4.813 9.490 -19.347 1.00 0.00 O ATOM 95 OD2 ASP A 6 4.782 7.742 -20.677 1.00 0.00 O ATOM 0 H ASP A 6 2.313 6.348 -16.967 1.00 0.00 H new ATOM 0 HA ASP A 6 4.036 8.699 -16.765 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.936 6.849 -17.978 1.00 0.00 H new ATOM 0 HB3 ASP A 6 3.442 6.589 -18.855 1.00 0.00 H new ATOM 100 N VAL A 7 2.310 10.303 -17.775 1.00 0.00 N ATOM 101 CA VAL A 7 1.321 11.233 -18.326 1.00 0.00 C ATOM 102 C VAL A 7 1.854 12.067 -19.505 1.00 0.00 C ATOM 103 O VAL A 7 1.197 13.027 -19.910 1.00 0.00 O ATOM 104 CB VAL A 7 0.645 12.064 -17.213 1.00 0.00 C ATOM 105 CG1 VAL A 7 0.098 11.196 -16.066 1.00 0.00 C ATOM 106 CG2 VAL A 7 1.594 13.112 -16.626 1.00 0.00 C ATOM 0 H VAL A 7 3.010 10.744 -17.178 1.00 0.00 H new ATOM 0 HA VAL A 7 0.531 10.630 -18.774 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.193 12.562 -17.700 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.365 11.836 -15.315 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.644 10.501 -16.458 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.915 10.636 -15.612 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.079 13.674 -15.847 1.00 0.00 H new ATOM 0 HG22 VAL A 7 2.465 12.615 -16.199 1.00 0.00 H new ATOM 0 HG23 VAL A 7 1.915 13.794 -17.413 1.00 0.00 H new ATOM 116 N ARG A 8 3.018 11.744 -20.083 1.00 0.00 N ATOM 117 CA ARG A 8 3.467 12.399 -21.319 1.00 0.00 C ATOM 118 C ARG A 8 2.917 11.645 -22.530 1.00 0.00 C ATOM 119 O ARG A 8 2.143 10.697 -22.387 1.00 0.00 O ATOM 120 CB ARG A 8 5.005 12.511 -21.375 1.00 0.00 C ATOM 121 CG ARG A 8 5.419 13.945 -21.758 1.00 0.00 C ATOM 122 CD ARG A 8 6.927 14.059 -21.991 1.00 0.00 C ATOM 123 NE ARG A 8 7.322 15.437 -22.341 1.00 0.00 N ATOM 124 CZ ARG A 8 8.406 15.801 -23.043 1.00 0.00 C ATOM 125 NH1 ARG A 8 9.229 14.888 -23.555 1.00 0.00 N ATOM 126 NH2 ARG A 8 8.665 17.091 -23.228 1.00 0.00 N ATOM 0 H ARG A 8 3.661 11.040 -19.719 1.00 0.00 H new ATOM 0 HA ARG A 8 3.078 13.417 -21.334 1.00 0.00 H new ATOM 0 HB2 ARG A 8 5.432 12.247 -20.407 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.403 11.803 -22.102 1.00 0.00 H new ATOM 0 HG2 ARG A 8 4.888 14.248 -22.661 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.121 14.633 -20.967 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.459 13.745 -21.093 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.224 13.381 -22.791 1.00 0.00 H new ATOM 0 HE ARG A 8 6.711 16.187 -22.017 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.040 13.895 -23.416 1.00 0.00 H new ATOM 0 HH12 ARG A 8 10.049 15.181 -24.086 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.042 17.797 -22.837 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.487 17.375 -23.761 1.00 0.00 H new ATOM 140 N VAL A 9 3.327 12.058 -23.729 1.00 0.00 N ATOM 141 CA VAL A 9 3.061 11.310 -24.953 1.00 0.00 C ATOM 142 C VAL A 9 3.650 9.892 -24.857 1.00 0.00 C ATOM 143 O VAL A 9 4.678 9.701 -24.200 1.00 0.00 O ATOM 144 CB VAL A 9 3.630 12.053 -26.180 1.00 0.00 C ATOM 145 CG1 VAL A 9 2.777 13.287 -26.504 1.00 0.00 C ATOM 146 CG2 VAL A 9 5.100 12.485 -26.010 1.00 0.00 C ATOM 0 H VAL A 9 3.852 12.920 -23.877 1.00 0.00 H new ATOM 0 HA VAL A 9 1.981 11.226 -25.076 1.00 0.00 H new ATOM 0 HB VAL A 9 3.596 11.339 -27.003 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.193 13.799 -27.372 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.755 12.976 -26.721 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.777 13.964 -25.649 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.434 13.001 -26.910 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.186 13.155 -25.155 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.721 11.605 -25.845 1.00 0.00 H new ATOM 156 N PRO A 10 3.075 8.911 -25.574 1.00 0.00 N ATOM 157 CA PRO A 10 3.597 7.549 -25.608 1.00 0.00 C ATOM 158 C PRO A 10 4.985 7.447 -26.240 1.00 0.00 C ATOM 159 O PRO A 10 5.661 6.442 -26.033 1.00 0.00 O ATOM 160 CB PRO A 10 2.571 6.734 -26.396 1.00 0.00 C ATOM 161 CG PRO A 10 1.843 7.765 -27.253 1.00 0.00 C ATOM 162 CD PRO A 10 1.856 9.007 -26.368 1.00 0.00 C ATOM 0 HA PRO A 10 3.732 7.175 -24.593 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.055 5.976 -27.012 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.882 6.213 -25.731 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.354 7.938 -28.200 1.00 0.00 H new ATOM 0 HG3 PRO A 10 0.828 7.449 -27.492 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.850 9.916 -26.969 1.00 0.00 H new ATOM 0 HD3 PRO A 10 0.974 9.042 -25.729 1.00 0.00 H new ATOM 170 N GLU A 11 5.434 8.458 -26.989 1.00 0.00 N ATOM 171 CA GLU A 11 6.760 8.473 -27.599 1.00 0.00 C ATOM 172 C GLU A 11 7.853 8.308 -26.535 1.00 0.00 C ATOM 173 O GLU A 11 8.813 7.568 -26.756 1.00 0.00 O ATOM 174 CB GLU A 11 6.967 9.768 -28.402 1.00 0.00 C ATOM 175 CG GLU A 11 5.988 9.888 -29.579 1.00 0.00 C ATOM 176 CD GLU A 11 6.290 11.126 -30.443 1.00 0.00 C ATOM 177 OE1 GLU A 11 7.114 11.033 -31.383 1.00 0.00 O ATOM 178 OE2 GLU A 11 5.693 12.200 -30.208 1.00 0.00 O ATOM 0 H GLU A 11 4.882 9.292 -27.188 1.00 0.00 H new ATOM 0 HA GLU A 11 6.832 7.629 -28.285 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.844 10.626 -27.741 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.989 9.800 -28.778 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.047 8.991 -30.195 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.968 9.948 -29.200 1.00 0.00 H new ATOM 185 N GLN A 12 7.696 8.933 -25.358 1.00 0.00 N ATOM 186 CA GLN A 12 8.701 8.820 -24.301 1.00 0.00 C ATOM 187 C GLN A 12 8.702 7.401 -23.716 1.00 0.00 C ATOM 188 O GLN A 12 9.762 6.865 -23.413 1.00 0.00 O ATOM 189 CB GLN A 12 8.537 9.941 -23.256 1.00 0.00 C ATOM 190 CG GLN A 12 7.578 9.669 -22.083 1.00 0.00 C ATOM 191 CD GLN A 12 8.234 8.920 -20.914 1.00 0.00 C ATOM 192 OE1 GLN A 12 9.333 9.263 -20.478 1.00 0.00 O ATOM 193 NE2 GLN A 12 7.578 7.912 -20.372 1.00 0.00 N ATOM 0 H GLN A 12 6.892 9.514 -25.120 1.00 0.00 H new ATOM 0 HA GLN A 12 9.695 8.970 -24.723 1.00 0.00 H new ATOM 0 HB2 GLN A 12 9.521 10.166 -22.844 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.195 10.838 -23.772 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.183 10.618 -21.720 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.730 9.088 -22.445 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.668 7.638 -20.742 1.00 0.00 H new ATOM 0 HE22 GLN A 12 7.981 7.407 -19.582 1.00 0.00 H new ATOM 202 N TYR A 13 7.527 6.766 -23.630 1.00 0.00 N ATOM 203 CA TYR A 13 7.355 5.408 -23.143 1.00 0.00 C ATOM 204 C TYR A 13 8.139 4.403 -24.002 1.00 0.00 C ATOM 205 O TYR A 13 8.532 3.348 -23.500 1.00 0.00 O ATOM 206 CB TYR A 13 5.844 5.098 -23.107 1.00 0.00 C ATOM 207 CG TYR A 13 5.379 3.976 -22.194 1.00 0.00 C ATOM 208 CD1 TYR A 13 5.125 4.234 -20.832 1.00 0.00 C ATOM 209 CD2 TYR A 13 5.097 2.703 -22.726 1.00 0.00 C ATOM 210 CE1 TYR A 13 4.617 3.223 -19.995 1.00 0.00 C ATOM 211 CE2 TYR A 13 4.574 1.691 -21.901 1.00 0.00 C ATOM 212 CZ TYR A 13 4.343 1.940 -20.528 1.00 0.00 C ATOM 213 OH TYR A 13 3.855 0.943 -19.738 1.00 0.00 O ATOM 0 H TYR A 13 6.648 7.203 -23.908 1.00 0.00 H new ATOM 0 HA TYR A 13 7.761 5.316 -22.136 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.321 6.008 -22.814 1.00 0.00 H new ATOM 0 HB3 TYR A 13 5.525 4.860 -24.122 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.322 5.216 -20.427 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.283 2.503 -23.771 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.437 3.425 -18.949 1.00 0.00 H new ATOM 0 HE2 TYR A 13 4.348 0.720 -22.317 1.00 0.00 H new ATOM 0 HH TYR A 13 3.838 1.243 -18.805 1.00 0.00 H new ATOM 223 N GLN A 14 8.387 4.714 -25.285 1.00 0.00 N ATOM 224 CA GLN A 14 9.076 3.800 -26.191 1.00 0.00 C ATOM 225 C GLN A 14 10.562 3.675 -25.846 1.00 0.00 C ATOM 226 O GLN A 14 11.066 2.551 -25.813 1.00 0.00 O ATOM 227 CB GLN A 14 8.921 4.219 -27.666 1.00 0.00 C ATOM 228 CG GLN A 14 7.478 4.460 -28.134 1.00 0.00 C ATOM 229 CD GLN A 14 6.501 3.360 -27.710 1.00 0.00 C ATOM 230 OE1 GLN A 14 6.614 2.208 -28.122 1.00 0.00 O ATOM 231 NE2 GLN A 14 5.530 3.689 -26.873 1.00 0.00 N ATOM 0 H GLN A 14 8.116 5.599 -25.714 1.00 0.00 H new ATOM 0 HA GLN A 14 8.602 2.828 -26.059 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.495 5.131 -27.829 1.00 0.00 H new ATOM 0 HB3 GLN A 14 9.365 3.446 -28.294 1.00 0.00 H new ATOM 0 HG2 GLN A 14 7.131 5.414 -27.737 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.467 4.544 -29.221 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.448 4.649 -26.539 1.00 0.00 H new ATOM 0 HE22 GLN A 14 4.864 2.982 -26.562 1.00 0.00 H new ATOM 240 N GLN A 15 11.263 4.794 -25.602 1.00 0.00 N ATOM 241 CA GLN A 15 12.704 4.758 -25.341 1.00 0.00 C ATOM 242 C GLN A 15 12.967 3.961 -24.060 1.00 0.00 C ATOM 243 O GLN A 15 13.727 2.995 -24.092 1.00 0.00 O ATOM 244 CB GLN A 15 13.349 6.160 -25.349 1.00 0.00 C ATOM 245 CG GLN A 15 12.611 7.258 -24.570 1.00 0.00 C ATOM 246 CD GLN A 15 13.438 8.540 -24.485 1.00 0.00 C ATOM 247 OE1 GLN A 15 13.346 9.421 -25.337 1.00 0.00 O ATOM 248 NE2 GLN A 15 14.265 8.672 -23.462 1.00 0.00 N ATOM 0 H GLN A 15 10.854 5.728 -25.581 1.00 0.00 H new ATOM 0 HA GLN A 15 13.199 4.239 -26.162 1.00 0.00 H new ATOM 0 HB2 GLN A 15 14.358 6.074 -24.945 1.00 0.00 H new ATOM 0 HB3 GLN A 15 13.448 6.484 -26.385 1.00 0.00 H new ATOM 0 HG2 GLN A 15 11.658 7.471 -25.054 1.00 0.00 H new ATOM 0 HG3 GLN A 15 12.385 6.903 -23.565 1.00 0.00 H new ATOM 0 HE21 GLN A 15 14.332 7.933 -22.762 1.00 0.00 H new ATOM 0 HE22 GLN A 15 14.836 9.512 -23.373 1.00 0.00 H new ATOM 257 N GLU A 16 12.290 4.309 -22.966 1.00 0.00 N ATOM 258 CA GLU A 16 12.169 3.513 -21.755 1.00 0.00 C ATOM 259 C GLU A 16 11.091 4.150 -20.876 1.00 0.00 C ATOM 260 O GLU A 16 10.810 5.344 -20.992 1.00 0.00 O ATOM 261 CB GLU A 16 13.486 3.292 -20.976 1.00 0.00 C ATOM 262 CG GLU A 16 14.143 4.536 -20.363 1.00 0.00 C ATOM 263 CD GLU A 16 14.891 5.403 -21.395 1.00 0.00 C ATOM 264 OE1 GLU A 16 15.988 5.000 -21.848 1.00 0.00 O ATOM 265 OE2 GLU A 16 14.423 6.518 -21.714 1.00 0.00 O ATOM 0 H GLU A 16 11.790 5.195 -22.902 1.00 0.00 H new ATOM 0 HA GLU A 16 11.886 2.505 -22.057 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.291 2.580 -20.174 1.00 0.00 H new ATOM 0 HB3 GLU A 16 14.205 2.825 -21.649 1.00 0.00 H new ATOM 0 HG2 GLU A 16 13.377 5.141 -19.878 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.842 4.224 -19.587 1.00 0.00 H new ATOM 272 N HIS A 17 10.507 3.362 -19.980 1.00 0.00 N ATOM 273 CA HIS A 17 9.491 3.800 -19.039 1.00 0.00 C ATOM 274 C HIS A 17 9.681 3.044 -17.731 1.00 0.00 C ATOM 275 O HIS A 17 10.193 1.921 -17.735 1.00 0.00 O ATOM 276 CB HIS A 17 8.095 3.535 -19.625 1.00 0.00 C ATOM 277 CG HIS A 17 7.848 2.106 -20.058 1.00 0.00 C ATOM 278 ND1 HIS A 17 8.052 1.587 -21.316 1.00 0.00 N ATOM 279 CD2 HIS A 17 7.328 1.096 -19.292 1.00 0.00 C ATOM 280 CE1 HIS A 17 7.672 0.299 -21.301 1.00 0.00 C ATOM 281 NE2 HIS A 17 7.218 -0.053 -20.085 1.00 0.00 N ATOM 0 H HIS A 17 10.737 2.372 -19.888 1.00 0.00 H new ATOM 0 HA HIS A 17 9.584 4.870 -18.851 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.347 3.809 -18.881 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.946 4.190 -20.483 1.00 0.00 H new ATOM 0 HD1 HIS A 17 8.426 2.092 -22.119 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.050 1.173 -18.251 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.724 -0.365 -22.151 1.00 0.00 H new ATOM 289 N VAL A 18 9.251 3.651 -16.621 1.00 0.00 N ATOM 290 CA VAL A 18 9.159 2.996 -15.319 1.00 0.00 C ATOM 291 C VAL A 18 8.329 1.726 -15.498 1.00 0.00 C ATOM 292 O VAL A 18 7.188 1.798 -15.955 1.00 0.00 O ATOM 293 CB VAL A 18 8.534 3.968 -14.295 1.00 0.00 C ATOM 294 CG1 VAL A 18 8.246 3.293 -12.946 1.00 0.00 C ATOM 295 CG2 VAL A 18 9.458 5.169 -14.055 1.00 0.00 C ATOM 0 H VAL A 18 8.953 4.626 -16.605 1.00 0.00 H new ATOM 0 HA VAL A 18 10.142 2.722 -14.935 1.00 0.00 H new ATOM 0 HB VAL A 18 7.588 4.298 -14.724 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.807 4.019 -12.262 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.550 2.467 -13.094 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.176 2.912 -12.524 1.00 0.00 H new ATOM 0 HG21 VAL A 18 8.999 5.842 -13.330 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.416 4.820 -13.670 1.00 0.00 H new ATOM 0 HG23 VAL A 18 9.616 5.700 -14.994 1.00 0.00 H new ATOM 305 N GLN A 19 8.891 0.569 -15.135 1.00 0.00 N ATOM 306 CA GLN A 19 8.281 -0.730 -15.403 1.00 0.00 C ATOM 307 C GLN A 19 6.888 -0.846 -14.769 1.00 0.00 C ATOM 308 O GLN A 19 6.016 -1.520 -15.320 1.00 0.00 O ATOM 309 CB GLN A 19 9.248 -1.834 -14.931 1.00 0.00 C ATOM 310 CG GLN A 19 8.857 -3.259 -15.367 1.00 0.00 C ATOM 311 CD GLN A 19 8.161 -4.062 -14.263 1.00 0.00 C ATOM 312 OE1 GLN A 19 8.792 -4.831 -13.542 1.00 0.00 O ATOM 313 NE2 GLN A 19 6.856 -3.911 -14.096 1.00 0.00 N ATOM 0 H GLN A 19 9.784 0.510 -14.646 1.00 0.00 H new ATOM 0 HA GLN A 19 8.118 -0.846 -16.474 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.245 -1.612 -15.312 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.309 -1.805 -13.843 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.198 -3.198 -16.233 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.753 -3.793 -15.685 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.336 -3.272 -14.697 1.00 0.00 H new ATOM 0 HE22 GLN A 19 6.371 -4.434 -13.367 1.00 0.00 H new ATOM 322 N GLY A 20 6.670 -0.187 -13.629 1.00 0.00 N ATOM 323 CA GLY A 20 5.412 -0.222 -12.892 1.00 0.00 C ATOM 324 C GLY A 20 4.391 0.821 -13.359 1.00 0.00 C ATOM 325 O GLY A 20 3.354 0.953 -12.710 1.00 0.00 O ATOM 0 H GLY A 20 7.380 0.397 -13.186 1.00 0.00 H new ATOM 0 HA2 GLY A 20 4.973 -1.215 -12.989 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.618 -0.066 -11.833 1.00 0.00 H new ATOM 329 N ALA A 21 4.658 1.566 -14.441 1.00 0.00 N ATOM 330 CA ALA A 21 3.793 2.640 -14.925 1.00 0.00 C ATOM 331 C ALA A 21 3.212 2.304 -16.298 1.00 0.00 C ATOM 332 O ALA A 21 3.700 1.428 -17.016 1.00 0.00 O ATOM 333 CB ALA A 21 4.559 3.970 -14.982 1.00 0.00 C ATOM 0 H ALA A 21 5.494 1.434 -15.010 1.00 0.00 H new ATOM 0 HA ALA A 21 2.966 2.743 -14.222 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.897 4.756 -15.345 1.00 0.00 H new ATOM 0 HB2 ALA A 21 4.916 4.228 -13.985 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.409 3.872 -15.657 1.00 0.00 H new ATOM 339 N ILE A 22 2.181 3.057 -16.673 1.00 0.00 N ATOM 340 CA ILE A 22 1.357 2.862 -17.859 1.00 0.00 C ATOM 341 C ILE A 22 1.160 4.233 -18.505 1.00 0.00 C ATOM 342 O ILE A 22 0.998 5.222 -17.789 1.00 0.00 O ATOM 343 CB ILE A 22 0.023 2.179 -17.459 1.00 0.00 C ATOM 344 CG1 ILE A 22 -0.709 2.904 -16.297 1.00 0.00 C ATOM 345 CG2 ILE A 22 0.292 0.702 -17.111 1.00 0.00 C ATOM 346 CD1 ILE A 22 -2.042 2.260 -15.896 1.00 0.00 C ATOM 0 H ILE A 22 1.883 3.864 -16.125 1.00 0.00 H new ATOM 0 HA ILE A 22 1.831 2.201 -18.585 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.650 2.240 -18.314 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -0.053 2.927 -15.427 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -0.891 3.939 -16.586 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.643 0.218 -16.829 1.00 0.00 H new ATOM 0 HG22 ILE A 22 0.716 0.195 -17.978 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.994 0.646 -16.279 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -2.488 2.826 -15.079 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.719 2.262 -16.751 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -1.868 1.234 -15.573 1.00 0.00 H new ATOM 358 N ASN A 23 1.224 4.319 -19.837 1.00 0.00 N ATOM 359 CA ASN A 23 1.094 5.596 -20.533 1.00 0.00 C ATOM 360 C ASN A 23 -0.379 5.993 -20.614 1.00 0.00 C ATOM 361 O ASN A 23 -1.168 5.316 -21.278 1.00 0.00 O ATOM 362 CB ASN A 23 1.727 5.562 -21.930 1.00 0.00 C ATOM 363 CG ASN A 23 1.581 6.940 -22.567 1.00 0.00 C ATOM 364 OD1 ASN A 23 0.668 7.179 -23.348 1.00 0.00 O ATOM 365 ND2 ASN A 23 2.440 7.880 -22.217 1.00 0.00 N ATOM 0 H ASN A 23 1.365 3.518 -20.452 1.00 0.00 H new ATOM 0 HA ASN A 23 1.639 6.346 -19.959 1.00 0.00 H new ATOM 0 HB2 ASN A 23 2.780 5.287 -21.861 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.240 4.807 -22.547 1.00 0.00 H new ATOM 0 HD21 ASN A 23 2.349 8.822 -22.598 1.00 0.00 H new ATOM 0 HD22 ASN A 23 3.195 7.664 -21.565 1.00 0.00 H new ATOM 372 N ILE A 24 -0.743 7.081 -19.938 1.00 0.00 N ATOM 373 CA ILE A 24 -2.084 7.662 -19.910 1.00 0.00 C ATOM 374 C ILE A 24 -1.865 9.183 -19.917 1.00 0.00 C ATOM 375 O ILE A 24 -1.682 9.770 -18.849 1.00 0.00 O ATOM 376 CB ILE A 24 -2.889 7.165 -18.684 1.00 0.00 C ATOM 377 CG1 ILE A 24 -3.058 5.626 -18.694 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.252 7.867 -18.602 1.00 0.00 C ATOM 379 CD1 ILE A 24 -3.829 5.051 -17.504 1.00 0.00 C ATOM 0 H ILE A 24 -0.080 7.606 -19.368 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.686 7.359 -20.767 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.318 7.423 -17.792 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.570 5.338 -19.612 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.070 5.167 -18.723 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.798 7.501 -17.733 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.102 8.943 -18.510 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.825 7.657 -19.505 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.894 3.967 -17.602 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.310 5.301 -16.579 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.833 5.474 -17.482 1.00 0.00 H new ATOM 391 N PRO A 25 -1.783 9.819 -21.100 1.00 0.00 N ATOM 392 CA PRO A 25 -1.380 11.211 -21.236 1.00 0.00 C ATOM 393 C PRO A 25 -2.210 12.202 -20.413 1.00 0.00 C ATOM 394 O PRO A 25 -3.396 11.994 -20.140 1.00 0.00 O ATOM 395 CB PRO A 25 -1.453 11.524 -22.733 1.00 0.00 C ATOM 396 CG PRO A 25 -1.173 10.163 -23.362 1.00 0.00 C ATOM 397 CD PRO A 25 -1.910 9.217 -22.419 1.00 0.00 C ATOM 0 HA PRO A 25 -0.375 11.333 -20.833 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.430 11.912 -23.020 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.715 12.269 -23.029 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -1.553 10.099 -24.382 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.106 9.946 -23.405 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.957 9.112 -22.705 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.472 8.219 -22.440 1.00 0.00 H new ATOM 405 N LEU A 26 -1.588 13.344 -20.114 1.00 0.00 N ATOM 406 CA LEU A 26 -2.154 14.486 -19.400 1.00 0.00 C ATOM 407 C LEU A 26 -3.505 14.923 -19.976 1.00 0.00 C ATOM 408 O LEU A 26 -4.400 15.305 -19.225 1.00 0.00 O ATOM 409 CB LEU A 26 -1.122 15.631 -19.469 1.00 0.00 C ATOM 410 CG LEU A 26 -1.584 16.958 -18.833 1.00 0.00 C ATOM 411 CD1 LEU A 26 -1.808 16.798 -17.329 1.00 0.00 C ATOM 412 CD2 LEU A 26 -0.536 18.050 -19.073 1.00 0.00 C ATOM 0 H LEU A 26 -0.617 13.504 -20.381 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.353 14.207 -18.365 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.207 15.306 -18.974 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.872 15.813 -20.514 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.527 17.242 -19.300 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.133 17.749 -16.906 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.574 16.042 -17.154 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.877 16.489 -16.853 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.872 18.983 -18.620 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.411 17.750 -18.625 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.401 18.195 -20.145 1.00 0.00 H new ATOM 424 N LYS A 27 -3.669 14.839 -21.301 1.00 0.00 N ATOM 425 CA LYS A 27 -4.903 15.216 -21.992 1.00 0.00 C ATOM 426 C LYS A 27 -6.101 14.350 -21.587 1.00 0.00 C ATOM 427 O LYS A 27 -7.236 14.751 -21.842 1.00 0.00 O ATOM 428 CB LYS A 27 -4.695 15.146 -23.515 1.00 0.00 C ATOM 429 CG LYS A 27 -3.635 16.141 -24.015 1.00 0.00 C ATOM 430 CD LYS A 27 -3.500 16.076 -25.544 1.00 0.00 C ATOM 431 CE LYS A 27 -2.412 17.019 -26.083 1.00 0.00 C ATOM 432 NZ LYS A 27 -2.761 18.456 -25.941 1.00 0.00 N ATOM 0 H LYS A 27 -2.939 14.503 -21.929 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.135 16.238 -21.693 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.397 14.135 -23.791 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.642 15.347 -24.017 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.908 17.152 -23.713 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.674 15.918 -23.551 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.269 15.053 -25.841 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.456 16.332 -26.001 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.478 16.825 -25.556 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.236 16.797 -27.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.989 19.040 -26.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.637 18.654 -26.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.902 18.681 -24.936 1.00 0.00 H new ATOM 446 N GLU A 28 -5.878 13.180 -20.979 1.00 0.00 N ATOM 447 CA GLU A 28 -6.913 12.177 -20.744 1.00 0.00 C ATOM 448 C GLU A 28 -6.965 11.727 -19.281 1.00 0.00 C ATOM 449 O GLU A 28 -7.976 11.166 -18.858 1.00 0.00 O ATOM 450 CB GLU A 28 -6.666 10.965 -21.651 1.00 0.00 C ATOM 451 CG GLU A 28 -6.520 11.295 -23.144 1.00 0.00 C ATOM 452 CD GLU A 28 -6.451 10.022 -24.007 1.00 0.00 C ATOM 453 OE1 GLU A 28 -5.793 9.038 -23.599 1.00 0.00 O ATOM 454 OE2 GLU A 28 -7.052 10.003 -25.107 1.00 0.00 O ATOM 0 H GLU A 28 -4.959 12.903 -20.633 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.875 12.634 -20.978 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.762 10.457 -21.316 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.491 10.263 -21.528 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.363 11.907 -23.465 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.619 11.888 -23.299 1.00 0.00 H new ATOM 461 N VAL A 29 -5.916 11.987 -18.489 1.00 0.00 N ATOM 462 CA VAL A 29 -5.818 11.617 -17.077 1.00 0.00 C ATOM 463 C VAL A 29 -7.059 12.043 -16.271 1.00 0.00 C ATOM 464 O VAL A 29 -7.463 11.327 -15.359 1.00 0.00 O ATOM 465 CB VAL A 29 -4.480 12.157 -16.502 1.00 0.00 C ATOM 466 CG1 VAL A 29 -4.538 13.632 -16.072 1.00 0.00 C ATOM 467 CG2 VAL A 29 -4.004 11.288 -15.331 1.00 0.00 C ATOM 0 H VAL A 29 -5.088 12.476 -18.828 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.804 10.531 -16.988 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.763 12.102 -17.321 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.567 13.936 -15.681 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.793 14.252 -16.932 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.295 13.756 -15.298 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.065 11.683 -14.943 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.756 11.297 -14.542 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.852 10.265 -15.675 1.00 0.00 H new ATOM 477 N LYS A 30 -7.704 13.159 -16.642 1.00 0.00 N ATOM 478 CA LYS A 30 -8.915 13.685 -16.003 1.00 0.00 C ATOM 479 C LYS A 30 -10.059 12.663 -15.955 1.00 0.00 C ATOM 480 O LYS A 30 -10.904 12.740 -15.067 1.00 0.00 O ATOM 481 CB LYS A 30 -9.334 14.973 -16.721 1.00 0.00 C ATOM 482 CG LYS A 30 -10.270 15.810 -15.835 1.00 0.00 C ATOM 483 CD LYS A 30 -10.720 17.100 -16.516 1.00 0.00 C ATOM 484 CE LYS A 30 -9.575 18.095 -16.766 1.00 0.00 C ATOM 485 NZ LYS A 30 -10.055 19.348 -17.403 1.00 0.00 N ATOM 0 H LYS A 30 -7.385 13.737 -17.420 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.684 13.905 -14.961 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.450 15.556 -16.977 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.835 14.727 -17.657 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -11.146 15.216 -15.574 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -9.761 16.054 -14.902 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -11.191 16.854 -17.468 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.480 17.581 -15.900 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -9.088 18.333 -15.820 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.823 17.630 -17.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.251 19.991 -17.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -10.497 19.125 -18.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -10.754 19.807 -16.784 1.00 0.00 H new ATOM 499 N GLU A 31 -10.094 11.698 -16.875 1.00 0.00 N ATOM 500 CA GLU A 31 -11.092 10.631 -16.871 1.00 0.00 C ATOM 501 C GLU A 31 -10.399 9.284 -16.677 1.00 0.00 C ATOM 502 O GLU A 31 -10.843 8.461 -15.873 1.00 0.00 O ATOM 503 CB GLU A 31 -11.897 10.658 -18.181 1.00 0.00 C ATOM 504 CG GLU A 31 -12.751 11.928 -18.317 1.00 0.00 C ATOM 505 CD GLU A 31 -13.609 11.896 -19.594 1.00 0.00 C ATOM 506 OE1 GLU A 31 -14.756 11.396 -19.552 1.00 0.00 O ATOM 507 OE2 GLU A 31 -13.157 12.389 -20.653 1.00 0.00 O ATOM 0 H GLU A 31 -9.429 11.635 -17.645 1.00 0.00 H new ATOM 0 HA GLU A 31 -11.788 10.783 -16.046 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.212 10.591 -19.027 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.544 9.782 -18.225 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.398 12.028 -17.445 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.102 12.804 -18.335 1.00 0.00 H new ATOM 514 N ARG A 32 -9.273 9.064 -17.364 1.00 0.00 N ATOM 515 CA ARG A 32 -8.577 7.781 -17.359 1.00 0.00 C ATOM 516 C ARG A 32 -7.920 7.456 -16.017 1.00 0.00 C ATOM 517 O ARG A 32 -7.491 6.316 -15.834 1.00 0.00 O ATOM 518 CB ARG A 32 -7.565 7.724 -18.510 1.00 0.00 C ATOM 519 CG ARG A 32 -8.232 7.740 -19.896 1.00 0.00 C ATOM 520 CD ARG A 32 -7.206 7.560 -21.024 1.00 0.00 C ATOM 521 NE ARG A 32 -6.651 6.193 -21.053 1.00 0.00 N ATOM 522 CZ ARG A 32 -5.613 5.777 -21.792 1.00 0.00 C ATOM 523 NH1 ARG A 32 -4.992 6.597 -22.634 1.00 0.00 N ATOM 524 NH2 ARG A 32 -5.191 4.521 -21.676 1.00 0.00 N ATOM 0 H ARG A 32 -8.821 9.775 -17.939 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.330 7.008 -17.511 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -6.884 8.571 -18.430 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.963 6.821 -18.413 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -8.976 6.945 -19.951 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.762 8.682 -20.034 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -7.678 7.780 -21.982 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.396 8.278 -20.895 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.099 5.499 -20.454 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.303 7.564 -22.727 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.204 6.259 -23.187 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.656 3.884 -21.029 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.402 4.195 -22.234 1.00 0.00 H new ATOM 538 N ILE A 33 -7.862 8.388 -15.059 1.00 0.00 N ATOM 539 CA ILE A 33 -7.464 8.069 -13.691 1.00 0.00 C ATOM 540 C ILE A 33 -8.319 6.921 -13.139 1.00 0.00 C ATOM 541 O ILE A 33 -7.774 6.059 -12.460 1.00 0.00 O ATOM 542 CB ILE A 33 -7.485 9.329 -12.791 1.00 0.00 C ATOM 543 CG1 ILE A 33 -7.016 9.049 -11.343 1.00 0.00 C ATOM 544 CG2 ILE A 33 -8.864 10.019 -12.743 1.00 0.00 C ATOM 545 CD1 ILE A 33 -5.579 8.521 -11.240 1.00 0.00 C ATOM 0 H ILE A 33 -8.087 9.371 -15.211 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.431 7.721 -13.696 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.773 10.004 -13.266 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -7.096 9.968 -10.763 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -7.691 8.325 -10.888 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -8.811 10.894 -12.096 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -9.151 10.328 -13.748 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.606 9.323 -12.351 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -5.328 8.351 -10.193 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.495 7.584 -11.790 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.891 9.253 -11.663 1.00 0.00 H new ATOM 557 N ALA A 34 -9.618 6.852 -13.467 1.00 0.00 N ATOM 558 CA ALA A 34 -10.499 5.800 -12.965 1.00 0.00 C ATOM 559 C ALA A 34 -10.070 4.417 -13.471 1.00 0.00 C ATOM 560 O ALA A 34 -10.093 3.449 -12.710 1.00 0.00 O ATOM 561 CB ALA A 34 -11.943 6.101 -13.379 1.00 0.00 C ATOM 0 H ALA A 34 -10.080 7.521 -14.083 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.430 5.783 -11.877 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.600 5.316 -13.004 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.249 7.060 -12.961 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.009 6.141 -14.466 1.00 0.00 H new ATOM 567 N THR A 35 -9.667 4.313 -14.740 1.00 0.00 N ATOM 568 CA THR A 35 -9.147 3.073 -15.307 1.00 0.00 C ATOM 569 C THR A 35 -7.748 2.758 -14.755 1.00 0.00 C ATOM 570 O THR A 35 -7.424 1.586 -14.553 1.00 0.00 O ATOM 571 CB THR A 35 -9.168 3.155 -16.849 1.00 0.00 C ATOM 572 OG1 THR A 35 -8.947 4.470 -17.330 1.00 0.00 O ATOM 573 CG2 THR A 35 -10.537 2.732 -17.390 1.00 0.00 C ATOM 0 H THR A 35 -9.693 5.089 -15.401 1.00 0.00 H new ATOM 0 HA THR A 35 -9.789 2.244 -15.009 1.00 0.00 H new ATOM 0 HB THR A 35 -8.369 2.495 -17.187 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.293 4.922 -16.757 1.00 0.00 H new ATOM 0 HG21 THR A 35 -10.534 2.796 -18.478 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.747 1.706 -17.087 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.306 3.393 -16.990 1.00 0.00 H new ATOM 581 N ALA A 36 -6.927 3.781 -14.477 1.00 0.00 N ATOM 582 CA ALA A 36 -5.593 3.599 -13.920 1.00 0.00 C ATOM 583 C ALA A 36 -5.662 3.065 -12.485 1.00 0.00 C ATOM 584 O ALA A 36 -4.932 2.137 -12.136 1.00 0.00 O ATOM 585 CB ALA A 36 -4.839 4.933 -13.944 1.00 0.00 C ATOM 0 H ALA A 36 -7.177 4.757 -14.635 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.063 2.867 -14.529 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.841 4.795 -13.527 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.757 5.286 -14.972 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.382 5.668 -13.350 1.00 0.00 H new ATOM 591 N VAL A 37 -6.532 3.655 -11.661 1.00 0.00 N ATOM 592 CA VAL A 37 -6.639 3.416 -10.229 1.00 0.00 C ATOM 593 C VAL A 37 -8.131 3.519 -9.866 1.00 0.00 C ATOM 594 O VAL A 37 -8.705 4.604 -9.988 1.00 0.00 O ATOM 595 CB VAL A 37 -5.778 4.407 -9.430 1.00 0.00 C ATOM 596 CG1 VAL A 37 -5.646 3.944 -7.973 1.00 0.00 C ATOM 597 CG2 VAL A 37 -4.367 4.627 -10.002 1.00 0.00 C ATOM 0 H VAL A 37 -7.209 4.342 -11.994 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.260 2.427 -9.972 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.303 5.360 -9.498 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -5.034 4.656 -7.419 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.635 3.886 -7.519 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -5.175 2.961 -7.945 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.828 5.340 -9.378 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.829 3.679 -10.018 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.443 5.018 -11.017 1.00 0.00 H new ATOM 607 N PRO A 38 -8.787 2.423 -9.440 1.00 0.00 N ATOM 608 CA PRO A 38 -10.213 2.420 -9.122 1.00 0.00 C ATOM 609 C PRO A 38 -10.654 3.455 -8.075 1.00 0.00 C ATOM 610 O PRO A 38 -11.829 3.828 -8.057 1.00 0.00 O ATOM 611 CB PRO A 38 -10.525 1.002 -8.638 1.00 0.00 C ATOM 612 CG PRO A 38 -9.475 0.146 -9.340 1.00 0.00 C ATOM 613 CD PRO A 38 -8.258 1.066 -9.387 1.00 0.00 C ATOM 0 HA PRO A 38 -10.768 2.707 -10.015 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.448 0.922 -7.554 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.536 0.699 -8.909 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -9.267 -0.771 -8.788 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.797 -0.149 -10.339 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -7.628 0.926 -8.509 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.640 0.853 -10.259 1.00 0.00 H new ATOM 621 N ASP A 39 -9.749 3.917 -7.203 1.00 0.00 N ATOM 622 CA ASP A 39 -10.046 4.877 -6.142 1.00 0.00 C ATOM 623 C ASP A 39 -8.825 5.773 -5.930 1.00 0.00 C ATOM 624 O ASP A 39 -7.751 5.288 -5.572 1.00 0.00 O ATOM 625 CB ASP A 39 -10.407 4.122 -4.851 1.00 0.00 C ATOM 626 CG ASP A 39 -10.777 5.044 -3.675 1.00 0.00 C ATOM 627 OD1 ASP A 39 -10.667 6.284 -3.790 1.00 0.00 O ATOM 628 OD2 ASP A 39 -11.194 4.512 -2.621 1.00 0.00 O ATOM 0 H ASP A 39 -8.772 3.626 -7.219 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.896 5.500 -6.421 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -11.244 3.454 -5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -9.563 3.497 -4.559 1.00 0.00 H new ATOM 633 N LYS A 40 -8.985 7.083 -6.148 1.00 0.00 N ATOM 634 CA LYS A 40 -7.941 8.099 -5.957 1.00 0.00 C ATOM 635 C LYS A 40 -7.403 8.181 -4.520 1.00 0.00 C ATOM 636 O LYS A 40 -6.406 8.869 -4.293 1.00 0.00 O ATOM 637 CB LYS A 40 -8.436 9.462 -6.465 1.00 0.00 C ATOM 638 CG LYS A 40 -9.536 10.027 -5.562 1.00 0.00 C ATOM 639 CD LYS A 40 -10.312 11.165 -6.228 1.00 0.00 C ATOM 640 CE LYS A 40 -11.457 11.470 -5.265 1.00 0.00 C ATOM 641 NZ LYS A 40 -12.466 12.396 -5.833 1.00 0.00 N ATOM 0 H LYS A 40 -9.868 7.478 -6.471 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.084 7.786 -6.553 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -7.601 10.162 -6.506 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.815 9.358 -7.482 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.227 9.228 -5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.091 10.389 -4.635 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.679 12.039 -6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.687 10.868 -7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.946 10.537 -4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.049 11.903 -4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.131 12.684 -5.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.989 13.237 -6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.986 11.917 -6.595 1.00 0.00 H new ATOM 655 N ASN A 41 -8.062 7.543 -3.547 1.00 0.00 N ATOM 656 CA ASN A 41 -7.560 7.447 -2.181 1.00 0.00 C ATOM 657 C ASN A 41 -6.405 6.449 -2.057 1.00 0.00 C ATOM 658 O ASN A 41 -5.641 6.529 -1.095 1.00 0.00 O ATOM 659 CB ASN A 41 -8.698 7.085 -1.219 1.00 0.00 C ATOM 660 CG ASN A 41 -8.254 7.139 0.240 1.00 0.00 C ATOM 661 OD1 ASN A 41 -8.202 6.121 0.925 1.00 0.00 O ATOM 662 ND2 ASN A 41 -7.951 8.321 0.752 1.00 0.00 N ATOM 0 H ASN A 41 -8.959 7.079 -3.689 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.165 8.426 -1.909 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.532 7.771 -1.370 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.063 6.084 -1.450 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.669 8.396 1.729 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.999 9.157 0.169 1.00 0.00 H new ATOM 669 N ASP A 42 -6.253 5.512 -2.999 1.00 0.00 N ATOM 670 CA ASP A 42 -5.041 4.693 -3.074 1.00 0.00 C ATOM 671 C ASP A 42 -3.863 5.586 -3.492 1.00 0.00 C ATOM 672 O ASP A 42 -4.081 6.628 -4.113 1.00 0.00 O ATOM 673 CB ASP A 42 -5.223 3.546 -4.070 1.00 0.00 C ATOM 674 CG ASP A 42 -3.999 2.626 -4.046 1.00 0.00 C ATOM 675 OD1 ASP A 42 -3.651 2.153 -2.940 1.00 0.00 O ATOM 676 OD2 ASP A 42 -3.399 2.379 -5.113 1.00 0.00 O ATOM 0 H ASP A 42 -6.949 5.304 -3.715 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.840 4.255 -2.096 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.119 2.978 -3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.367 3.946 -5.074 1.00 0.00 H new ATOM 681 N THR A 43 -2.623 5.224 -3.158 1.00 0.00 N ATOM 682 CA THR A 43 -1.472 6.062 -3.478 1.00 0.00 C ATOM 683 C THR A 43 -1.259 6.079 -4.999 1.00 0.00 C ATOM 684 O THR A 43 -1.185 5.017 -5.622 1.00 0.00 O ATOM 685 CB THR A 43 -0.210 5.559 -2.752 1.00 0.00 C ATOM 686 OG1 THR A 43 -0.508 4.996 -1.487 1.00 0.00 O ATOM 687 CG2 THR A 43 0.812 6.684 -2.566 1.00 0.00 C ATOM 0 H THR A 43 -2.393 4.359 -2.668 1.00 0.00 H new ATOM 0 HA THR A 43 -1.665 7.079 -3.136 1.00 0.00 H new ATOM 0 HB THR A 43 0.214 4.782 -3.388 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.604 4.025 -1.576 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.691 6.296 -2.051 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.106 7.074 -3.541 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.368 7.484 -1.974 1.00 0.00 H new ATOM 695 N VAL A 44 -1.094 7.261 -5.596 1.00 0.00 N ATOM 696 CA VAL A 44 -0.841 7.412 -7.023 1.00 0.00 C ATOM 697 C VAL A 44 0.379 8.313 -7.169 1.00 0.00 C ATOM 698 O VAL A 44 0.431 9.390 -6.576 1.00 0.00 O ATOM 699 CB VAL A 44 -2.071 7.995 -7.752 1.00 0.00 C ATOM 700 CG1 VAL A 44 -1.910 7.832 -9.268 1.00 0.00 C ATOM 701 CG2 VAL A 44 -3.400 7.350 -7.332 1.00 0.00 C ATOM 0 H VAL A 44 -1.133 8.148 -5.093 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.651 6.443 -7.484 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.113 9.047 -7.469 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.783 8.246 -9.773 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.015 8.360 -9.598 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.818 6.774 -9.512 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.219 7.810 -7.885 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.371 6.282 -7.549 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.555 7.499 -6.264 1.00 0.00 H new ATOM 711 N LYS A 45 1.356 7.884 -7.965 1.00 0.00 N ATOM 712 CA LYS A 45 2.609 8.595 -8.177 1.00 0.00 C ATOM 713 C LYS A 45 2.749 8.799 -9.677 1.00 0.00 C ATOM 714 O LYS A 45 3.318 7.961 -10.379 1.00 0.00 O ATOM 715 CB LYS A 45 3.765 7.817 -7.531 1.00 0.00 C ATOM 716 CG LYS A 45 3.747 7.972 -6.002 1.00 0.00 C ATOM 717 CD LYS A 45 4.814 7.097 -5.333 1.00 0.00 C ATOM 718 CE LYS A 45 4.818 7.356 -3.821 1.00 0.00 C ATOM 719 NZ LYS A 45 5.727 6.434 -3.100 1.00 0.00 N ATOM 0 H LYS A 45 1.294 7.012 -8.491 1.00 0.00 H new ATOM 0 HA LYS A 45 2.627 9.574 -7.699 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.690 6.762 -7.794 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.715 8.177 -7.925 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.915 9.016 -5.740 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.762 7.702 -5.620 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.612 6.044 -5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.795 7.318 -5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.121 8.386 -3.631 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.806 7.245 -3.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 5.686 6.633 -2.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.434 5.451 -3.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.700 6.570 -3.440 1.00 0.00 H new ATOM 733 N VAL A 46 2.127 9.861 -10.186 1.00 0.00 N ATOM 734 CA VAL A 46 2.248 10.219 -11.593 1.00 0.00 C ATOM 735 C VAL A 46 3.695 10.662 -11.847 1.00 0.00 C ATOM 736 O VAL A 46 4.325 11.261 -10.972 1.00 0.00 O ATOM 737 CB VAL A 46 1.198 11.286 -11.990 1.00 0.00 C ATOM 738 CG1 VAL A 46 -0.225 10.707 -11.926 1.00 0.00 C ATOM 739 CG2 VAL A 46 1.204 12.560 -11.132 1.00 0.00 C ATOM 0 H VAL A 46 1.534 10.488 -9.642 1.00 0.00 H new ATOM 0 HA VAL A 46 2.035 9.361 -12.231 1.00 0.00 H new ATOM 0 HB VAL A 46 1.486 11.565 -13.003 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.944 11.476 -12.209 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.306 9.864 -12.612 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.435 10.370 -10.911 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.434 13.243 -11.490 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.004 12.300 -10.093 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.179 13.042 -11.204 1.00 0.00 H new ATOM 749 N TYR A 47 4.217 10.404 -13.044 1.00 0.00 N ATOM 750 CA TYR A 47 5.484 10.929 -13.523 1.00 0.00 C ATOM 751 C TYR A 47 5.317 11.251 -15.012 1.00 0.00 C ATOM 752 O TYR A 47 4.324 10.865 -15.641 1.00 0.00 O ATOM 753 CB TYR A 47 6.644 9.945 -13.253 1.00 0.00 C ATOM 754 CG TYR A 47 6.949 8.991 -14.395 1.00 0.00 C ATOM 755 CD1 TYR A 47 6.162 7.843 -14.592 1.00 0.00 C ATOM 756 CD2 TYR A 47 7.980 9.295 -15.306 1.00 0.00 C ATOM 757 CE1 TYR A 47 6.409 7.005 -15.692 1.00 0.00 C ATOM 758 CE2 TYR A 47 8.214 8.473 -16.421 1.00 0.00 C ATOM 759 CZ TYR A 47 7.436 7.313 -16.613 1.00 0.00 C ATOM 760 OH TYR A 47 7.673 6.501 -17.686 1.00 0.00 O ATOM 0 H TYR A 47 3.752 9.804 -13.725 1.00 0.00 H new ATOM 0 HA TYR A 47 5.750 11.838 -12.984 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.543 10.518 -13.027 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.407 9.361 -12.364 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.369 7.606 -13.899 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.596 10.168 -15.146 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.809 6.118 -15.835 1.00 0.00 H new ATOM 0 HE2 TYR A 47 8.988 8.729 -17.129 1.00 0.00 H new ATOM 0 HH TYR A 47 6.914 5.894 -17.811 1.00 0.00 H new ATOM 770 N CYS A 48 6.268 11.978 -15.583 1.00 0.00 N ATOM 771 CA CYS A 48 6.396 12.153 -17.018 1.00 0.00 C ATOM 772 C CYS A 48 7.888 12.315 -17.308 1.00 0.00 C ATOM 773 O CYS A 48 8.697 12.342 -16.379 1.00 0.00 O ATOM 774 CB CYS A 48 5.536 13.335 -17.503 1.00 0.00 C ATOM 775 SG CYS A 48 6.291 14.939 -17.132 1.00 0.00 S ATOM 0 H CYS A 48 6.984 12.471 -15.049 1.00 0.00 H new ATOM 0 HA CYS A 48 6.019 11.293 -17.571 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.381 13.250 -18.579 1.00 0.00 H new ATOM 0 HB3 CYS A 48 4.554 13.282 -17.034 1.00 0.00 H new ATOM 0 HG CYS A 48 6.116 15.744 -18.138 1.00 0.00 H new ATOM 781 N ASN A 49 8.277 12.460 -18.577 1.00 0.00 N ATOM 782 CA ASN A 49 9.697 12.505 -18.934 1.00 0.00 C ATOM 783 C ASN A 49 10.469 13.604 -18.187 1.00 0.00 C ATOM 784 O ASN A 49 11.609 13.364 -17.790 1.00 0.00 O ATOM 785 CB ASN A 49 9.889 12.654 -20.448 1.00 0.00 C ATOM 786 CG ASN A 49 11.316 12.273 -20.828 1.00 0.00 C ATOM 787 OD1 ASN A 49 12.162 13.130 -21.062 1.00 0.00 O ATOM 788 ND2 ASN A 49 11.604 10.983 -20.893 1.00 0.00 N ATOM 0 H ASN A 49 7.637 12.547 -19.366 1.00 0.00 H new ATOM 0 HA ASN A 49 10.115 11.549 -18.619 1.00 0.00 H new ATOM 0 HB2 ASN A 49 9.180 12.018 -20.978 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.684 13.681 -20.750 1.00 0.00 H new ATOM 0 HD21 ASN A 49 12.546 10.683 -21.142 1.00 0.00 H new ATOM 0 HD22 ASN A 49 10.884 10.289 -20.694 1.00 0.00 H new ATOM 795 N ALA A 50 9.841 14.764 -17.935 1.00 0.00 N ATOM 796 CA ALA A 50 10.504 15.962 -17.406 1.00 0.00 C ATOM 797 C ALA A 50 9.834 16.543 -16.143 1.00 0.00 C ATOM 798 O ALA A 50 10.235 17.608 -15.673 1.00 0.00 O ATOM 799 CB ALA A 50 10.585 17.006 -18.529 1.00 0.00 C ATOM 0 H ALA A 50 8.842 14.895 -18.096 1.00 0.00 H new ATOM 0 HA ALA A 50 11.503 15.674 -17.078 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.075 17.905 -18.155 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.158 16.600 -19.363 1.00 0.00 H new ATOM 0 HB3 ALA A 50 9.579 17.255 -18.867 1.00 0.00 H new ATOM 805 N GLY A 51 8.816 15.881 -15.586 1.00 0.00 N ATOM 806 CA GLY A 51 8.208 16.199 -14.294 1.00 0.00 C ATOM 807 C GLY A 51 7.131 17.284 -14.339 1.00 0.00 C ATOM 808 O GLY A 51 6.244 17.290 -13.483 1.00 0.00 O ATOM 0 H GLY A 51 8.378 15.080 -16.040 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.770 15.290 -13.881 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.993 16.515 -13.607 1.00 0.00 H new ATOM 812 N ARG A 52 7.164 18.199 -15.316 1.00 0.00 N ATOM 813 CA ARG A 52 6.184 19.282 -15.419 1.00 0.00 C ATOM 814 C ARG A 52 4.790 18.727 -15.673 1.00 0.00 C ATOM 815 O ARG A 52 3.849 19.127 -14.994 1.00 0.00 O ATOM 816 CB ARG A 52 6.593 20.268 -16.532 1.00 0.00 C ATOM 817 CG ARG A 52 5.578 21.395 -16.822 1.00 0.00 C ATOM 818 CD ARG A 52 5.509 22.502 -15.753 1.00 0.00 C ATOM 819 NE ARG A 52 4.766 22.106 -14.537 1.00 0.00 N ATOM 820 CZ ARG A 52 3.537 22.503 -14.172 1.00 0.00 C ATOM 821 NH1 ARG A 52 2.831 23.342 -14.926 1.00 0.00 N ATOM 822 NH2 ARG A 52 3.011 22.058 -13.035 1.00 0.00 N ATOM 0 H ARG A 52 7.869 18.208 -16.053 1.00 0.00 H new ATOM 0 HA ARG A 52 6.163 19.820 -14.472 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.546 20.721 -16.260 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.758 19.705 -17.451 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.829 21.851 -17.780 1.00 0.00 H new ATOM 0 HG3 ARG A 52 4.588 20.952 -16.929 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.523 22.788 -15.472 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.037 23.384 -16.186 1.00 0.00 H new ATOM 0 HE ARG A 52 5.240 21.460 -13.906 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.222 23.695 -15.799 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.899 23.632 -14.631 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.541 21.418 -12.444 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.077 22.357 -12.754 1.00 0.00 H new ATOM 836 N GLN A 53 4.643 17.828 -16.646 1.00 0.00 N ATOM 837 CA GLN A 53 3.323 17.362 -17.056 1.00 0.00 C ATOM 838 C GLN A 53 2.707 16.465 -15.983 1.00 0.00 C ATOM 839 O GLN A 53 1.494 16.508 -15.801 1.00 0.00 O ATOM 840 CB GLN A 53 3.358 16.678 -18.434 1.00 0.00 C ATOM 841 CG GLN A 53 4.005 17.504 -19.562 1.00 0.00 C ATOM 842 CD GLN A 53 3.267 18.814 -19.845 1.00 0.00 C ATOM 843 OE1 GLN A 53 3.305 19.748 -19.049 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.574 18.917 -20.966 1.00 0.00 N ATOM 0 H GLN A 53 5.418 17.411 -17.161 1.00 0.00 H new ATOM 0 HA GLN A 53 2.680 18.235 -17.164 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.898 15.736 -18.340 1.00 0.00 H new ATOM 0 HB3 GLN A 53 2.337 16.432 -18.726 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.038 17.726 -19.295 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.033 16.905 -20.473 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.547 18.137 -21.622 1.00 0.00 H new ATOM 0 HE22 GLN A 53 2.066 19.777 -21.174 1.00 0.00 H new ATOM 853 N SER A 54 3.495 15.704 -15.218 1.00 0.00 N ATOM 854 CA SER A 54 2.975 15.021 -14.038 1.00 0.00 C ATOM 855 C SER A 54 2.612 16.019 -12.942 1.00 0.00 C ATOM 856 O SER A 54 1.641 15.798 -12.225 1.00 0.00 O ATOM 857 CB SER A 54 3.951 13.949 -13.577 1.00 0.00 C ATOM 858 OG SER A 54 5.297 14.356 -13.713 1.00 0.00 O ATOM 0 H SER A 54 4.487 15.548 -15.396 1.00 0.00 H new ATOM 0 HA SER A 54 2.047 14.511 -14.298 1.00 0.00 H new ATOM 0 HB2 SER A 54 3.752 13.703 -12.534 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.788 13.040 -14.155 1.00 0.00 H new ATOM 0 HG SER A 54 5.677 14.530 -12.827 1.00 0.00 H new ATOM 864 N GLY A 55 3.320 17.147 -12.856 1.00 0.00 N ATOM 865 CA GLY A 55 2.922 18.279 -12.036 1.00 0.00 C ATOM 866 C GLY A 55 1.519 18.742 -12.433 1.00 0.00 C ATOM 867 O GLY A 55 0.635 18.822 -11.583 1.00 0.00 O ATOM 0 H GLY A 55 4.194 17.296 -13.361 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.938 17.999 -10.983 1.00 0.00 H new ATOM 0 HA3 GLY A 55 3.633 19.096 -12.159 1.00 0.00 H new ATOM 871 N GLN A 56 1.276 18.954 -13.730 1.00 0.00 N ATOM 872 CA GLN A 56 -0.037 19.350 -14.231 1.00 0.00 C ATOM 873 C GLN A 56 -1.092 18.281 -13.959 1.00 0.00 C ATOM 874 O GLN A 56 -2.197 18.619 -13.541 1.00 0.00 O ATOM 875 CB GLN A 56 0.002 19.629 -15.734 1.00 0.00 C ATOM 876 CG GLN A 56 0.924 20.798 -16.102 1.00 0.00 C ATOM 877 CD GLN A 56 0.442 21.547 -17.348 1.00 0.00 C ATOM 878 OE1 GLN A 56 -0.566 22.248 -17.314 1.00 0.00 O ATOM 879 NE2 GLN A 56 1.136 21.441 -18.468 1.00 0.00 N ATOM 0 H GLN A 56 1.984 18.855 -14.458 1.00 0.00 H new ATOM 0 HA GLN A 56 -0.307 20.262 -13.698 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.335 18.732 -16.256 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -1.007 19.845 -16.084 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.981 21.491 -15.263 1.00 0.00 H new ATOM 0 HG3 GLN A 56 1.933 20.422 -16.274 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.973 20.859 -18.496 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.834 21.941 -19.304 1.00 0.00 H new ATOM 888 N ALA A 57 -0.777 16.999 -14.160 1.00 0.00 N ATOM 889 CA ALA A 57 -1.715 15.927 -13.850 1.00 0.00 C ATOM 890 C ALA A 57 -2.053 15.950 -12.364 1.00 0.00 C ATOM 891 O ALA A 57 -3.204 15.747 -11.992 1.00 0.00 O ATOM 892 CB ALA A 57 -1.149 14.565 -14.259 1.00 0.00 C ATOM 0 H ALA A 57 0.118 16.683 -14.535 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.629 16.088 -14.422 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.869 13.784 -14.016 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.955 14.559 -15.332 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.219 14.381 -13.721 1.00 0.00 H new ATOM 898 N LYS A 58 -1.074 16.250 -11.512 1.00 0.00 N ATOM 899 CA LYS A 58 -1.317 16.342 -10.077 1.00 0.00 C ATOM 900 C LYS A 58 -2.228 17.533 -9.797 1.00 0.00 C ATOM 901 O LYS A 58 -3.129 17.398 -8.975 1.00 0.00 O ATOM 902 CB LYS A 58 0.015 16.350 -9.299 1.00 0.00 C ATOM 903 CG LYS A 58 -0.171 16.113 -7.789 1.00 0.00 C ATOM 904 CD LYS A 58 -0.377 17.405 -6.986 1.00 0.00 C ATOM 905 CE LYS A 58 -0.909 17.071 -5.587 1.00 0.00 C ATOM 906 NZ LYS A 58 -1.347 18.292 -4.866 1.00 0.00 N ATOM 0 H LYS A 58 -0.110 16.432 -11.791 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.845 15.460 -9.716 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.671 15.580 -9.704 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.514 17.307 -9.453 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.029 15.459 -7.635 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.703 15.589 -7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.565 17.948 -6.906 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.079 18.058 -7.505 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.745 16.377 -5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.132 16.567 -5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.669 18.035 -3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.551 18.958 -4.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.128 18.741 -5.386 1.00 0.00 H new ATOM 920 N GLU A 59 -2.062 18.668 -10.478 1.00 0.00 N ATOM 921 CA GLU A 59 -2.956 19.819 -10.339 1.00 0.00 C ATOM 922 C GLU A 59 -4.391 19.451 -10.757 1.00 0.00 C ATOM 923 O GLU A 59 -5.329 19.767 -10.024 1.00 0.00 O ATOM 924 CB GLU A 59 -2.430 21.024 -11.143 1.00 0.00 C ATOM 925 CG GLU A 59 -1.151 21.637 -10.550 1.00 0.00 C ATOM 926 CD GLU A 59 -0.575 22.750 -11.446 1.00 0.00 C ATOM 927 OE1 GLU A 59 -1.088 23.893 -11.402 1.00 0.00 O ATOM 928 OE2 GLU A 59 0.411 22.503 -12.179 1.00 0.00 O ATOM 0 H GLU A 59 -1.302 18.815 -11.143 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.979 20.107 -9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.233 20.710 -12.168 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.205 21.789 -11.187 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -1.368 22.043 -9.562 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.403 20.856 -10.416 1.00 0.00 H new ATOM 935 N ILE A 60 -4.575 18.738 -11.879 1.00 0.00 N ATOM 936 CA ILE A 60 -5.890 18.260 -12.325 1.00 0.00 C ATOM 937 C ILE A 60 -6.498 17.389 -11.222 1.00 0.00 C ATOM 938 O ILE A 60 -7.627 17.621 -10.787 1.00 0.00 O ATOM 939 CB ILE A 60 -5.781 17.480 -13.665 1.00 0.00 C ATOM 940 CG1 ILE A 60 -5.379 18.411 -14.831 1.00 0.00 C ATOM 941 CG2 ILE A 60 -7.098 16.754 -14.014 1.00 0.00 C ATOM 942 CD1 ILE A 60 -5.074 17.658 -16.135 1.00 0.00 C ATOM 0 H ILE A 60 -3.812 18.477 -12.504 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.542 19.114 -12.511 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.000 16.733 -13.525 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -6.184 19.124 -15.011 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.501 18.988 -14.540 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.981 16.221 -14.957 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -7.343 16.044 -13.224 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.902 17.484 -14.108 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.799 18.372 -16.911 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.249 16.965 -15.970 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.957 17.102 -16.450 1.00 0.00 H new ATOM 954 N LEU A 61 -5.755 16.384 -10.760 1.00 0.00 N ATOM 955 CA LEU A 61 -6.271 15.408 -9.813 1.00 0.00 C ATOM 956 C LEU A 61 -6.510 16.057 -8.443 1.00 0.00 C ATOM 957 O LEU A 61 -7.421 15.641 -7.728 1.00 0.00 O ATOM 958 CB LEU A 61 -5.340 14.181 -9.765 1.00 0.00 C ATOM 959 CG LEU A 61 -5.271 13.410 -11.113 1.00 0.00 C ATOM 960 CD1 LEU A 61 -4.269 12.252 -11.055 1.00 0.00 C ATOM 961 CD2 LEU A 61 -6.625 12.874 -11.584 1.00 0.00 C ATOM 0 H LEU A 61 -4.785 16.228 -11.032 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.245 15.047 -10.144 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.337 14.505 -9.488 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.683 13.503 -8.984 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.937 14.151 -11.839 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.250 11.738 -12.016 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.276 12.641 -10.832 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.567 11.551 -10.275 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.499 12.348 -12.530 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.024 12.187 -10.837 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.318 13.705 -11.720 1.00 0.00 H new ATOM 973 N SER A 62 -5.773 17.117 -8.096 1.00 0.00 N ATOM 974 CA SER A 62 -6.035 17.907 -6.899 1.00 0.00 C ATOM 975 C SER A 62 -7.394 18.600 -6.998 1.00 0.00 C ATOM 976 O SER A 62 -8.162 18.562 -6.037 1.00 0.00 O ATOM 977 CB SER A 62 -4.926 18.936 -6.653 1.00 0.00 C ATOM 978 OG SER A 62 -3.667 18.300 -6.539 1.00 0.00 O ATOM 0 H SER A 62 -4.977 17.448 -8.642 1.00 0.00 H new ATOM 0 HA SER A 62 -6.052 17.224 -6.049 1.00 0.00 H new ATOM 0 HB2 SER A 62 -4.903 19.655 -7.472 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.139 19.497 -5.743 1.00 0.00 H new ATOM 0 HG SER A 62 -3.359 18.022 -7.427 1.00 0.00 H new ATOM 984 N GLU A 63 -7.731 19.174 -8.158 1.00 0.00 N ATOM 985 CA GLU A 63 -9.033 19.797 -8.386 1.00 0.00 C ATOM 986 C GLU A 63 -10.151 18.743 -8.297 1.00 0.00 C ATOM 987 O GLU A 63 -11.240 19.032 -7.800 1.00 0.00 O ATOM 988 CB GLU A 63 -9.021 20.516 -9.748 1.00 0.00 C ATOM 989 CG GLU A 63 -10.212 21.461 -9.969 1.00 0.00 C ATOM 990 CD GLU A 63 -10.181 22.683 -9.032 1.00 0.00 C ATOM 991 OE1 GLU A 63 -9.504 23.687 -9.354 1.00 0.00 O ATOM 992 OE2 GLU A 63 -10.850 22.667 -7.975 1.00 0.00 O ATOM 0 H GLU A 63 -7.107 19.218 -8.963 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.232 20.540 -7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.097 21.087 -9.837 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.012 19.769 -10.541 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.213 21.802 -11.004 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -11.141 20.912 -9.813 1.00 0.00 H new ATOM 999 N MET A 64 -9.865 17.500 -8.705 1.00 0.00 N ATOM 1000 CA MET A 64 -10.766 16.355 -8.558 1.00 0.00 C ATOM 1001 C MET A 64 -10.851 15.834 -7.110 1.00 0.00 C ATOM 1002 O MET A 64 -11.526 14.831 -6.869 1.00 0.00 O ATOM 1003 CB MET A 64 -10.356 15.226 -9.520 1.00 0.00 C ATOM 1004 CG MET A 64 -10.496 15.626 -10.995 1.00 0.00 C ATOM 1005 SD MET A 64 -9.984 14.356 -12.184 1.00 0.00 S ATOM 1006 CE MET A 64 -11.156 13.022 -11.808 1.00 0.00 C ATOM 0 H MET A 64 -8.982 17.260 -9.156 1.00 0.00 H new ATOM 0 HA MET A 64 -11.765 16.705 -8.817 1.00 0.00 H new ATOM 0 HB2 MET A 64 -9.323 14.942 -9.321 1.00 0.00 H new ATOM 0 HB3 MET A 64 -10.971 14.347 -9.326 1.00 0.00 H new ATOM 0 HG2 MET A 64 -11.537 15.885 -11.189 1.00 0.00 H new ATOM 0 HG3 MET A 64 -9.906 16.525 -11.170 1.00 0.00 H new ATOM 0 HE1 MET A 64 -11.095 12.256 -12.581 1.00 0.00 H new ATOM 0 HE2 MET A 64 -10.909 12.583 -10.841 1.00 0.00 H new ATOM 0 HE3 MET A 64 -12.168 13.425 -11.776 1.00 0.00 H new ATOM 1016 N GLY A 65 -10.206 16.476 -6.130 1.00 0.00 N ATOM 1017 CA GLY A 65 -10.361 16.131 -4.722 1.00 0.00 C ATOM 1018 C GLY A 65 -9.492 14.938 -4.329 1.00 0.00 C ATOM 1019 O GLY A 65 -9.987 13.990 -3.716 1.00 0.00 O ATOM 0 H GLY A 65 -9.562 17.250 -6.296 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -10.097 16.991 -4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.407 15.901 -4.517 1.00 0.00 H new ATOM 1023 N TYR A 66 -8.217 14.959 -4.727 1.00 0.00 N ATOM 1024 CA TYR A 66 -7.211 13.977 -4.323 1.00 0.00 C ATOM 1025 C TYR A 66 -7.085 13.821 -2.797 1.00 0.00 C ATOM 1026 O TYR A 66 -7.510 14.688 -2.028 1.00 0.00 O ATOM 1027 CB TYR A 66 -5.834 14.366 -4.898 1.00 0.00 C ATOM 1028 CG TYR A 66 -5.011 15.374 -4.095 1.00 0.00 C ATOM 1029 CD1 TYR A 66 -5.560 16.596 -3.648 1.00 0.00 C ATOM 1030 CD2 TYR A 66 -3.672 15.073 -3.781 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -4.775 17.514 -2.930 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -2.884 15.975 -3.050 1.00 0.00 C ATOM 1033 CZ TYR A 66 -3.428 17.209 -2.635 1.00 0.00 C ATOM 1034 OH TYR A 66 -2.621 18.111 -2.011 1.00 0.00 O ATOM 0 H TYR A 66 -7.849 15.676 -5.353 1.00 0.00 H new ATOM 0 HA TYR A 66 -7.545 13.019 -4.722 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -5.243 13.457 -5.009 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -5.986 14.772 -5.898 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -6.593 16.827 -3.860 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.246 14.136 -4.107 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.201 18.451 -2.604 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.862 15.725 -2.805 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.729 17.724 -1.891 1.00 0.00 H new ATOM 1044 N THR A 67 -6.398 12.753 -2.380 1.00 0.00 N ATOM 1045 CA THR A 67 -5.940 12.566 -1.002 1.00 0.00 C ATOM 1046 C THR A 67 -4.511 11.996 -0.968 1.00 0.00 C ATOM 1047 O THR A 67 -3.730 12.404 -0.106 1.00 0.00 O ATOM 1048 CB THR A 67 -6.929 11.695 -0.201 1.00 0.00 C ATOM 1049 OG1 THR A 67 -7.388 10.601 -0.973 1.00 0.00 O ATOM 1050 CG2 THR A 67 -8.164 12.458 0.280 1.00 0.00 C ATOM 0 H THR A 67 -6.141 11.984 -2.999 1.00 0.00 H new ATOM 0 HA THR A 67 -5.909 13.542 -0.519 1.00 0.00 H new ATOM 0 HB THR A 67 -6.362 11.359 0.667 1.00 0.00 H new ATOM 0 HG1 THR A 67 -8.366 10.624 -1.023 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.815 11.783 0.836 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.855 13.279 0.927 1.00 0.00 H new ATOM 0 HG23 THR A 67 -8.703 12.856 -0.579 1.00 0.00 H new ATOM 1058 N HIS A 68 -4.130 11.122 -1.919 1.00 0.00 N ATOM 1059 CA HIS A 68 -2.817 10.459 -1.945 1.00 0.00 C ATOM 1060 C HIS A 68 -2.228 10.402 -3.365 1.00 0.00 C ATOM 1061 O HIS A 68 -1.531 9.452 -3.725 1.00 0.00 O ATOM 1062 CB HIS A 68 -2.919 9.065 -1.294 1.00 0.00 C ATOM 1063 CG HIS A 68 -3.351 9.093 0.152 1.00 0.00 C ATOM 1064 ND1 HIS A 68 -2.535 9.232 1.253 1.00 0.00 N ATOM 1065 CD2 HIS A 68 -4.636 9.011 0.614 1.00 0.00 C ATOM 1066 CE1 HIS A 68 -3.313 9.236 2.349 1.00 0.00 C ATOM 1067 NE2 HIS A 68 -4.610 9.105 2.012 1.00 0.00 N ATOM 0 H HIS A 68 -4.733 10.855 -2.697 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.118 11.055 -1.358 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.626 8.461 -1.862 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -1.950 8.571 -1.364 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.520 8.894 0.005 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.948 9.331 3.361 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -5.410 9.079 2.645 1.00 0.00 H new ATOM 1075 N VAL A 69 -2.511 11.417 -4.183 1.00 0.00 N ATOM 1076 CA VAL A 69 -1.879 11.593 -5.492 1.00 0.00 C ATOM 1077 C VAL A 69 -0.654 12.497 -5.292 1.00 0.00 C ATOM 1078 O VAL A 69 -0.728 13.481 -4.551 1.00 0.00 O ATOM 1079 CB VAL A 69 -2.884 12.182 -6.508 1.00 0.00 C ATOM 1080 CG1 VAL A 69 -2.266 12.309 -7.907 1.00 0.00 C ATOM 1081 CG2 VAL A 69 -4.165 11.335 -6.624 1.00 0.00 C ATOM 0 H VAL A 69 -3.189 12.144 -3.955 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.559 10.636 -5.905 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.141 13.169 -6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -3.002 12.727 -8.594 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.397 12.966 -7.863 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.958 11.325 -8.260 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.838 11.791 -7.350 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.907 10.328 -6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.658 11.286 -5.653 1.00 0.00 H new ATOM 1091 N GLU A 70 0.460 12.194 -5.959 1.00 0.00 N ATOM 1092 CA GLU A 70 1.713 12.933 -5.864 1.00 0.00 C ATOM 1093 C GLU A 70 2.407 12.915 -7.233 1.00 0.00 C ATOM 1094 O GLU A 70 2.296 11.937 -7.975 1.00 0.00 O ATOM 1095 CB GLU A 70 2.572 12.272 -4.770 1.00 0.00 C ATOM 1096 CG GLU A 70 3.903 12.994 -4.520 1.00 0.00 C ATOM 1097 CD GLU A 70 4.631 12.426 -3.288 1.00 0.00 C ATOM 1098 OE1 GLU A 70 5.377 11.430 -3.420 1.00 0.00 O ATOM 1099 OE2 GLU A 70 4.480 12.984 -2.177 1.00 0.00 O ATOM 0 H GLU A 70 0.514 11.402 -6.600 1.00 0.00 H new ATOM 0 HA GLU A 70 1.548 13.976 -5.593 1.00 0.00 H new ATOM 0 HB2 GLU A 70 2.003 12.242 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.775 11.239 -5.053 1.00 0.00 H new ATOM 0 HG2 GLU A 70 4.541 12.896 -5.398 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.719 14.059 -4.376 1.00 0.00 H new ATOM 1106 N ASN A 71 3.126 13.992 -7.568 1.00 0.00 N ATOM 1107 CA ASN A 71 4.020 14.036 -8.725 1.00 0.00 C ATOM 1108 C ASN A 71 5.383 13.524 -8.272 1.00 0.00 C ATOM 1109 O ASN A 71 6.022 14.158 -7.429 1.00 0.00 O ATOM 1110 CB ASN A 71 4.154 15.471 -9.262 1.00 0.00 C ATOM 1111 CG ASN A 71 5.191 15.583 -10.381 1.00 0.00 C ATOM 1112 OD1 ASN A 71 5.560 14.605 -11.024 1.00 0.00 O ATOM 1113 ND2 ASN A 71 5.669 16.780 -10.667 1.00 0.00 N ATOM 0 H ASN A 71 3.102 14.863 -7.038 1.00 0.00 H new ATOM 0 HA ASN A 71 3.618 13.419 -9.529 1.00 0.00 H new ATOM 0 HB2 ASN A 71 3.186 15.809 -9.633 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.432 16.137 -8.445 1.00 0.00 H new ATOM 0 HD21 ASN A 71 6.345 16.892 -11.422 1.00 0.00 H new ATOM 0 HD22 ASN A 71 5.362 17.593 -10.132 1.00 0.00 H new ATOM 1120 N ALA A 72 5.817 12.383 -8.807 1.00 0.00 N ATOM 1121 CA ALA A 72 7.115 11.809 -8.491 1.00 0.00 C ATOM 1122 C ALA A 72 8.238 12.745 -8.955 1.00 0.00 C ATOM 1123 O ALA A 72 9.117 13.092 -8.166 1.00 0.00 O ATOM 1124 CB ALA A 72 7.240 10.430 -9.150 1.00 0.00 C ATOM 0 H ALA A 72 5.274 11.833 -9.473 1.00 0.00 H new ATOM 0 HA ALA A 72 7.205 11.689 -7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.213 10.000 -8.913 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.453 9.775 -8.776 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.143 10.533 -10.231 1.00 0.00 H new ATOM 1130 N GLY A 73 8.198 13.174 -10.219 1.00 0.00 N ATOM 1131 CA GLY A 73 9.238 13.974 -10.847 1.00 0.00 C ATOM 1132 C GLY A 73 9.391 13.586 -12.314 1.00 0.00 C ATOM 1133 O GLY A 73 8.515 12.931 -12.887 1.00 0.00 O ATOM 0 H GLY A 73 7.420 12.966 -10.845 1.00 0.00 H new ATOM 0 HA2 GLY A 73 8.990 15.032 -10.768 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.184 13.828 -10.325 1.00 0.00 H new ATOM 1137 N GLY A 74 10.507 14.002 -12.919 1.00 0.00 N ATOM 1138 CA GLY A 74 10.909 13.541 -14.242 1.00 0.00 C ATOM 1139 C GLY A 74 11.316 12.069 -14.209 1.00 0.00 C ATOM 1140 O GLY A 74 11.497 11.495 -13.134 1.00 0.00 O ATOM 0 H GLY A 74 11.155 14.669 -12.501 1.00 0.00 H new ATOM 0 HA2 GLY A 74 10.087 13.679 -14.944 1.00 0.00 H new ATOM 0 HA3 GLY A 74 11.742 14.144 -14.604 1.00 0.00 H new ATOM 1144 N LEU A 75 11.524 11.464 -15.383 1.00 0.00 N ATOM 1145 CA LEU A 75 11.861 10.041 -15.528 1.00 0.00 C ATOM 1146 C LEU A 75 13.105 9.641 -14.720 1.00 0.00 C ATOM 1147 O LEU A 75 13.196 8.509 -14.247 1.00 0.00 O ATOM 1148 CB LEU A 75 12.033 9.719 -17.024 1.00 0.00 C ATOM 1149 CG LEU A 75 12.512 8.287 -17.346 1.00 0.00 C ATOM 1150 CD1 LEU A 75 11.560 7.191 -16.844 1.00 0.00 C ATOM 1151 CD2 LEU A 75 12.668 8.156 -18.862 1.00 0.00 C ATOM 0 H LEU A 75 11.462 11.956 -16.274 1.00 0.00 H new ATOM 0 HA LEU A 75 11.042 9.451 -15.117 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.080 9.886 -17.525 1.00 0.00 H new ATOM 0 HB3 LEU A 75 12.745 10.426 -17.450 1.00 0.00 H new ATOM 0 HG LEU A 75 13.458 8.140 -16.825 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.962 6.212 -17.106 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.460 7.264 -15.761 1.00 0.00 H new ATOM 0 HD13 LEU A 75 10.582 7.318 -17.308 1.00 0.00 H new ATOM 0 HD21 LEU A 75 13.006 7.149 -19.107 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.709 8.344 -19.344 1.00 0.00 H new ATOM 0 HD23 LEU A 75 13.400 8.881 -19.216 1.00 0.00 H new ATOM 1163 N LYS A 76 14.058 10.560 -14.537 1.00 0.00 N ATOM 1164 CA LYS A 76 15.266 10.295 -13.755 1.00 0.00 C ATOM 1165 C LYS A 76 14.963 10.105 -12.264 1.00 0.00 C ATOM 1166 O LYS A 76 15.766 9.477 -11.573 1.00 0.00 O ATOM 1167 CB LYS A 76 16.281 11.436 -13.944 1.00 0.00 C ATOM 1168 CG LYS A 76 16.785 11.543 -15.393 1.00 0.00 C ATOM 1169 CD LYS A 76 17.840 12.650 -15.529 1.00 0.00 C ATOM 1170 CE LYS A 76 18.329 12.736 -16.982 1.00 0.00 C ATOM 1171 NZ LYS A 76 19.354 13.792 -17.168 1.00 0.00 N ATOM 0 H LYS A 76 14.013 11.502 -14.925 1.00 0.00 H new ATOM 0 HA LYS A 76 15.691 9.361 -14.123 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.820 12.380 -13.653 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.130 11.277 -13.279 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.211 10.589 -15.705 1.00 0.00 H new ATOM 0 HG3 LYS A 76 15.947 11.751 -16.059 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.417 13.606 -15.222 1.00 0.00 H new ATOM 0 HD3 LYS A 76 18.680 12.446 -14.866 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.743 11.773 -17.281 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.481 12.936 -17.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.654 13.813 -18.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.952 14.715 -16.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 20.175 13.589 -16.563 1.00 0.00 H new ATOM 1185 N ASP A 77 13.861 10.659 -11.746 1.00 0.00 N ATOM 1186 CA ASP A 77 13.602 10.688 -10.308 1.00 0.00 C ATOM 1187 C ASP A 77 13.205 9.312 -9.780 1.00 0.00 C ATOM 1188 O ASP A 77 13.753 8.875 -8.767 1.00 0.00 O ATOM 1189 CB ASP A 77 12.493 11.689 -9.958 1.00 0.00 C ATOM 1190 CG ASP A 77 12.261 11.704 -8.435 1.00 0.00 C ATOM 1191 OD1 ASP A 77 12.939 12.487 -7.732 1.00 0.00 O ATOM 1192 OD2 ASP A 77 11.417 10.928 -7.936 1.00 0.00 O ATOM 0 H ASP A 77 13.131 11.096 -12.309 1.00 0.00 H new ATOM 0 HA ASP A 77 14.533 10.999 -9.834 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.769 12.686 -10.302 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.571 11.418 -10.472 1.00 0.00 H new ATOM 1197 N ILE A 78 12.258 8.642 -10.450 1.00 0.00 N ATOM 1198 CA ILE A 78 11.622 7.432 -9.941 1.00 0.00 C ATOM 1199 C ILE A 78 12.678 6.336 -9.746 1.00 0.00 C ATOM 1200 O ILE A 78 13.281 5.862 -10.715 1.00 0.00 O ATOM 1201 CB ILE A 78 10.450 6.975 -10.848 1.00 0.00 C ATOM 1202 CG1 ILE A 78 9.560 8.135 -11.356 1.00 0.00 C ATOM 1203 CG2 ILE A 78 9.564 5.999 -10.056 1.00 0.00 C ATOM 1204 CD1 ILE A 78 10.032 8.690 -12.704 1.00 0.00 C ATOM 0 H ILE A 78 11.913 8.931 -11.366 1.00 0.00 H new ATOM 0 HA ILE A 78 11.178 7.648 -8.969 1.00 0.00 H new ATOM 0 HB ILE A 78 10.899 6.510 -11.725 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.532 7.785 -11.451 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.557 8.937 -10.618 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.735 5.670 -10.683 1.00 0.00 H new ATOM 0 HG22 ILE A 78 10.155 5.135 -9.753 1.00 0.00 H new ATOM 0 HG23 ILE A 78 9.173 6.500 -9.170 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.373 9.501 -13.014 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.050 9.067 -12.606 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.009 7.897 -13.452 1.00 0.00 H new ATOM 1216 N ALA A 79 12.891 5.928 -8.492 1.00 0.00 N ATOM 1217 CA ALA A 79 13.873 4.929 -8.082 1.00 0.00 C ATOM 1218 C ALA A 79 13.320 3.512 -8.306 1.00 0.00 C ATOM 1219 O ALA A 79 13.206 2.719 -7.368 1.00 0.00 O ATOM 1220 CB ALA A 79 14.277 5.192 -6.622 1.00 0.00 C ATOM 0 H ALA A 79 12.361 6.302 -7.705 1.00 0.00 H new ATOM 0 HA ALA A 79 14.772 5.006 -8.693 1.00 0.00 H new ATOM 0 HB1 ALA A 79 15.011 4.450 -6.308 1.00 0.00 H new ATOM 0 HB2 ALA A 79 14.711 6.189 -6.538 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.396 5.125 -5.983 1.00 0.00 H new ATOM 1226 N MET A 80 12.924 3.211 -9.544 1.00 0.00 N ATOM 1227 CA MET A 80 12.325 1.943 -9.954 1.00 0.00 C ATOM 1228 C MET A 80 12.962 1.484 -11.273 1.00 0.00 C ATOM 1229 O MET A 80 13.446 2.339 -12.028 1.00 0.00 O ATOM 1230 CB MET A 80 10.811 2.119 -10.149 1.00 0.00 C ATOM 1231 CG MET A 80 10.058 2.315 -8.829 1.00 0.00 C ATOM 1232 SD MET A 80 8.286 2.643 -9.022 1.00 0.00 S ATOM 1233 CE MET A 80 7.681 1.030 -9.591 1.00 0.00 C ATOM 0 H MET A 80 13.016 3.870 -10.317 1.00 0.00 H new ATOM 0 HA MET A 80 12.501 1.195 -9.181 1.00 0.00 H new ATOM 0 HB2 MET A 80 10.631 2.978 -10.795 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.412 1.244 -10.663 1.00 0.00 H new ATOM 0 HG2 MET A 80 10.186 1.423 -8.216 1.00 0.00 H new ATOM 0 HG3 MET A 80 10.512 3.143 -8.285 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.594 1.055 -9.666 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.107 0.806 -10.569 1.00 0.00 H new ATOM 0 HE3 MET A 80 7.978 0.259 -8.880 1.00 0.00 H new ATOM 1243 N PRO A 81 12.951 0.167 -11.567 1.00 0.00 N ATOM 1244 CA PRO A 81 13.381 -0.386 -12.848 1.00 0.00 C ATOM 1245 C PRO A 81 12.702 0.290 -14.039 1.00 0.00 C ATOM 1246 O PRO A 81 11.556 0.747 -13.948 1.00 0.00 O ATOM 1247 CB PRO A 81 13.032 -1.878 -12.805 1.00 0.00 C ATOM 1248 CG PRO A 81 13.043 -2.203 -11.316 1.00 0.00 C ATOM 1249 CD PRO A 81 12.522 -0.914 -10.685 1.00 0.00 C ATOM 0 HA PRO A 81 14.449 -0.218 -12.988 1.00 0.00 H new ATOM 0 HB2 PRO A 81 12.058 -2.075 -13.252 1.00 0.00 H new ATOM 0 HB3 PRO A 81 13.760 -2.477 -13.352 1.00 0.00 H new ATOM 0 HG2 PRO A 81 12.404 -3.055 -11.083 1.00 0.00 H new ATOM 0 HG3 PRO A 81 14.044 -2.450 -10.963 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.436 -0.935 -10.594 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.924 -0.781 -9.681 1.00 0.00 H new ATOM 1257 N LYS A 82 13.390 0.298 -15.182 1.00 0.00 N ATOM 1258 CA LYS A 82 12.918 0.911 -16.419 1.00 0.00 C ATOM 1259 C LYS A 82 13.213 -0.053 -17.558 1.00 0.00 C ATOM 1260 O LYS A 82 14.251 -0.719 -17.545 1.00 0.00 O ATOM 1261 CB LYS A 82 13.614 2.265 -16.654 1.00 0.00 C ATOM 1262 CG LYS A 82 13.261 3.303 -15.578 1.00 0.00 C ATOM 1263 CD LYS A 82 14.165 4.541 -15.642 1.00 0.00 C ATOM 1264 CE LYS A 82 13.887 5.475 -14.450 1.00 0.00 C ATOM 1265 NZ LYS A 82 14.324 4.897 -13.150 1.00 0.00 N ATOM 0 H LYS A 82 14.311 -0.132 -15.273 1.00 0.00 H new ATOM 0 HA LYS A 82 11.847 1.104 -16.360 1.00 0.00 H new ATOM 0 HB2 LYS A 82 14.694 2.117 -16.671 1.00 0.00 H new ATOM 0 HB3 LYS A 82 13.330 2.651 -17.633 1.00 0.00 H new ATOM 0 HG2 LYS A 82 12.222 3.609 -15.699 1.00 0.00 H new ATOM 0 HG3 LYS A 82 13.346 2.845 -14.593 1.00 0.00 H new ATOM 0 HD2 LYS A 82 15.211 4.235 -15.635 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.995 5.075 -16.577 1.00 0.00 H new ATOM 0 HE2 LYS A 82 14.399 6.424 -14.611 1.00 0.00 H new ATOM 0 HE3 LYS A 82 12.820 5.692 -14.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 14.052 5.537 -12.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 13.869 3.972 -13.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 15.357 4.777 -13.153 1.00 0.00 H new ATOM 1279 N VAL A 83 12.315 -0.125 -18.534 1.00 0.00 N ATOM 1280 CA VAL A 83 12.354 -1.073 -19.633 1.00 0.00 C ATOM 1281 C VAL A 83 11.900 -0.355 -20.906 1.00 0.00 C ATOM 1282 O VAL A 83 11.194 0.653 -20.828 1.00 0.00 O ATOM 1283 CB VAL A 83 11.447 -2.274 -19.291 1.00 0.00 C ATOM 1284 CG1 VAL A 83 12.102 -3.214 -18.267 1.00 0.00 C ATOM 1285 CG2 VAL A 83 10.052 -1.886 -18.776 1.00 0.00 C ATOM 0 H VAL A 83 11.511 0.501 -18.580 1.00 0.00 H new ATOM 0 HA VAL A 83 13.362 -1.454 -19.795 1.00 0.00 H new ATOM 0 HB VAL A 83 11.317 -2.786 -20.244 1.00 0.00 H new ATOM 0 HG11 VAL A 83 11.430 -4.046 -18.055 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.038 -3.598 -18.672 1.00 0.00 H new ATOM 0 HG13 VAL A 83 12.303 -2.666 -17.347 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.480 -2.788 -18.560 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.152 -1.293 -17.867 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.533 -1.301 -19.536 1.00 0.00 H new ATOM 1295 N LYS A 84 12.319 -0.848 -22.077 1.00 0.00 N ATOM 1296 CA LYS A 84 11.912 -0.292 -23.370 1.00 0.00 C ATOM 1297 C LYS A 84 10.419 -0.542 -23.609 1.00 0.00 C ATOM 1298 O LYS A 84 9.838 -1.452 -23.008 1.00 0.00 O ATOM 1299 CB LYS A 84 12.741 -0.907 -24.512 1.00 0.00 C ATOM 1300 CG LYS A 84 14.252 -0.649 -24.366 1.00 0.00 C ATOM 1301 CD LYS A 84 15.073 -1.180 -25.551 1.00 0.00 C ATOM 1302 CE LYS A 84 14.791 -0.402 -26.847 1.00 0.00 C ATOM 1303 NZ LYS A 84 15.633 -0.870 -27.976 1.00 0.00 N ATOM 0 H LYS A 84 12.951 -1.645 -22.154 1.00 0.00 H new ATOM 0 HA LYS A 84 12.092 0.783 -23.353 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.563 -1.982 -24.544 1.00 0.00 H new ATOM 0 HB3 LYS A 84 12.399 -0.498 -25.463 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.423 0.423 -24.265 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.607 -1.117 -23.448 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.135 -1.115 -25.314 1.00 0.00 H new ATOM 0 HD3 LYS A 84 14.845 -2.235 -25.705 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.739 -0.509 -27.112 1.00 0.00 H new ATOM 0 HE3 LYS A 84 14.970 0.660 -26.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 15.409 -0.318 -28.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 16.637 -0.744 -27.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.444 -1.877 -28.156 1.00 0.00 H new ATOM 1317 N GLY A 85 9.820 0.243 -24.509 1.00 0.00 N ATOM 1318 CA GLY A 85 8.474 0.022 -25.027 1.00 0.00 C ATOM 1319 C GLY A 85 8.307 -1.422 -25.490 1.00 0.00 C ATOM 1320 O GLY A 85 7.303 -2.057 -25.112 1.00 0.00 O ATOM 1321 OXT GLY A 85 9.172 -1.909 -26.248 1.00 0.00 O ATOM 0 H GLY A 85 10.271 1.068 -24.905 1.00 0.00 H new ATOM 0 HA2 GLY A 85 7.739 0.249 -24.254 1.00 0.00 H new ATOM 0 HA3 GLY A 85 8.282 0.701 -25.858 1.00 0.00 H new TER 1325 GLY A 85