USER MOD reduce.3.24.130724 H: found=0, std=0, add=777, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 777 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 32 THR OG1 : rot 130:sc= 0 USER MOD Set 1.2: A 82 SER OG : rot -50:sc= -2.82 USER MOD Set 1.3: A 84 ASN : amide:sc= -8.99! C(o=-12!,f=-30!) USER MOD Set 2.1: A 8 SER OG : rot 180:sc= -0.0577 USER MOD Set 2.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 55:sc= -9.82! USER MOD Single : A 12 ASN : amide:sc= -0.0129 K(o=-0.013,f=-1.7!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.392 K(o=-0.39,f=-1.4) USER MOD Single : A 23 GLN : amide:sc= 0.911 K(o=0.91,f=-0.78) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.989! USER MOD Single : A 27 ASN : amide:sc= -0.223 K(o=-0.22,f=-1.2) USER MOD Single : A 30 LYS NZ :NH3+ -132:sc= -0.145 (180deg=-0.88) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 178:sc= -3.29! USER MOD Single : A 37 SER OG : rot -9:sc= 0.24! USER MOD Single : A 39 THR OG1 : rot 106:sc= -0.638! USER MOD Single : A 41 GLN :FLIP amide:sc= -5.84! C(o=-14!,f=-5.8!) USER MOD Single : A 45 LYS NZ :NH3+ -122:sc= 1.25 (180deg=-0.218) USER MOD Single : A 57 THR OG1 : rot -160:sc= -1.04 USER MOD Single : A 61 LYS NZ :NH3+ -118:sc= -0.624 (180deg=-3.76!) USER MOD Single : A 63 THR OG1 : rot -58:sc= -0.282 USER MOD Single : A 64 GLN :FLIP amide:sc= -1.26 F(o=-2.9,f=-1.3) USER MOD Single : A 73 LYS NZ :NH3+ -155:sc= -0.348 (180deg=-1.19) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot -114:sc= 1.19 USER MOD Single : A 78 SER OG : rot 180:sc= -1 USER MOD Single : A 79 HIS : no HE2:sc= -9.66! C(o=-9.7!,f=-13!) USER MOD Single : A 83 SER OG : rot 115:sc= -0.486! USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 13 N TRP A 2 9.186 -12.191 -7.379 1.00 0.00 N ATOM 14 CA TRP A 2 8.126 -11.162 -7.260 1.00 0.00 C ATOM 15 C TRP A 2 6.905 -11.688 -6.490 1.00 0.00 C ATOM 16 O TRP A 2 6.140 -12.472 -7.014 1.00 0.00 O ATOM 17 CB TRP A 2 7.659 -10.815 -8.687 1.00 0.00 C ATOM 18 CG TRP A 2 8.458 -9.642 -9.271 1.00 0.00 C ATOM 19 CD1 TRP A 2 9.535 -9.100 -8.724 1.00 0.00 C ATOM 20 CD2 TRP A 2 8.095 -8.990 -10.344 1.00 0.00 C ATOM 21 NE1 TRP A 2 9.802 -8.051 -9.534 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.920 -7.915 -10.595 1.00 0.00 C ATOM 23 CE3 TRP A 2 7.049 -9.276 -11.199 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.685 -7.115 -11.700 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.822 -8.480 -12.301 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.642 -7.401 -12.551 1.00 0.00 C ATOM 0 HA TRP A 2 8.531 -10.303 -6.725 1.00 0.00 H new ATOM 0 HB2 TRP A 2 7.770 -11.688 -9.330 1.00 0.00 H new ATOM 0 HB3 TRP A 2 6.599 -10.563 -8.673 1.00 0.00 H new ATOM 0 HD1 TRP A 2 10.071 -9.419 -7.843 1.00 0.00 H new ATOM 0 HE1 TRP A 2 10.584 -7.415 -9.378 1.00 0.00 H new ATOM 0 HE3 TRP A 2 6.409 -10.124 -11.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 9.322 -6.265 -11.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 6.002 -8.702 -12.968 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.466 -6.779 -13.416 1.00 0.00 H new ATOM 37 N VAL A 3 6.729 -11.226 -5.266 1.00 0.00 N ATOM 38 CA VAL A 3 5.556 -11.700 -4.466 1.00 0.00 C ATOM 39 C VAL A 3 5.193 -10.708 -3.348 1.00 0.00 C ATOM 40 O VAL A 3 5.736 -10.779 -2.264 1.00 0.00 O ATOM 41 CB VAL A 3 5.923 -13.046 -3.805 1.00 0.00 C ATOM 42 CG1 VAL A 3 4.788 -13.471 -2.868 1.00 0.00 C ATOM 43 CG2 VAL A 3 6.106 -14.118 -4.879 1.00 0.00 C ATOM 0 H VAL A 3 7.337 -10.554 -4.798 1.00 0.00 H new ATOM 0 HA VAL A 3 4.704 -11.797 -5.139 1.00 0.00 H new ATOM 0 HB VAL A 3 6.851 -12.931 -3.244 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.041 -14.421 -2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.648 -12.712 -2.099 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.867 -13.583 -3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 3 6.365 -15.066 -4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 3 5.178 -14.233 -5.440 1.00 0.00 H new ATOM 0 HG23 VAL A 3 6.905 -13.820 -5.558 1.00 0.00 H new ATOM 53 N ILE A 4 4.281 -9.796 -3.626 1.00 0.00 N ATOM 54 CA ILE A 4 3.899 -8.816 -2.568 1.00 0.00 C ATOM 55 C ILE A 4 2.521 -8.168 -2.848 1.00 0.00 C ATOM 56 O ILE A 4 2.425 -7.105 -3.421 1.00 0.00 O ATOM 57 CB ILE A 4 4.969 -7.721 -2.545 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.673 -6.734 -1.427 1.00 0.00 C ATOM 59 CG2 ILE A 4 4.945 -6.965 -3.888 1.00 0.00 C ATOM 60 CD1 ILE A 4 5.208 -7.300 -0.109 1.00 0.00 C ATOM 0 H ILE A 4 3.799 -9.695 -4.519 1.00 0.00 H new ATOM 0 HA ILE A 4 3.828 -9.336 -1.613 1.00 0.00 H new ATOM 0 HB ILE A 4 5.946 -8.177 -2.383 1.00 0.00 H new ATOM 0 HG12 ILE A 4 5.139 -5.772 -1.641 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.600 -6.559 -1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.705 -6.183 -3.879 1.00 0.00 H new ATOM 0 HG22 ILE A 4 5.150 -7.661 -4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.963 -6.515 -4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.000 -6.599 0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.721 -8.252 0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 4 6.284 -7.453 -0.189 1.00 0.00 H new ATOM 72 N PRO A 5 1.478 -8.836 -2.411 1.00 0.00 N ATOM 73 CA PRO A 5 0.108 -8.338 -2.607 1.00 0.00 C ATOM 74 C PRO A 5 -0.205 -7.014 -1.846 1.00 0.00 C ATOM 75 O PRO A 5 -0.842 -6.126 -2.387 1.00 0.00 O ATOM 76 CB PRO A 5 -0.801 -9.477 -2.080 1.00 0.00 C ATOM 77 CG PRO A 5 0.129 -10.667 -1.673 1.00 0.00 C ATOM 78 CD PRO A 5 1.584 -10.181 -1.812 1.00 0.00 C ATOM 0 HA PRO A 5 -0.049 -8.093 -3.657 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.386 -9.137 -1.225 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.510 -9.789 -2.847 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.075 -10.981 -0.649 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.050 -11.531 -2.313 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.083 -10.144 -0.844 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.166 -10.851 -2.445 1.00 0.00 H new ATOM 86 N PRO A 6 0.242 -6.916 -0.606 1.00 0.00 N ATOM 87 CA PRO A 6 0.005 -5.716 0.210 1.00 0.00 C ATOM 88 C PRO A 6 0.879 -4.530 -0.212 1.00 0.00 C ATOM 89 O PRO A 6 2.022 -4.697 -0.587 1.00 0.00 O ATOM 90 CB PRO A 6 0.399 -6.140 1.639 1.00 0.00 C ATOM 91 CG PRO A 6 1.042 -7.557 1.539 1.00 0.00 C ATOM 92 CD PRO A 6 0.977 -7.983 0.061 1.00 0.00 C ATOM 0 HA PRO A 6 -1.028 -5.384 0.109 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.102 -5.428 2.071 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.475 -6.159 2.289 1.00 0.00 H new ATOM 0 HG2 PRO A 6 2.074 -7.537 1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.506 -8.268 2.168 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.975 -8.098 -0.361 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.471 -8.942 -0.052 1.00 0.00 H new ATOM 100 N ILE A 7 0.309 -3.346 -0.136 1.00 0.00 N ATOM 101 CA ILE A 7 1.074 -2.125 -0.522 1.00 0.00 C ATOM 102 C ILE A 7 0.684 -0.947 0.373 1.00 0.00 C ATOM 103 O ILE A 7 -0.276 -1.021 1.117 1.00 0.00 O ATOM 104 CB ILE A 7 0.743 -1.757 -1.977 1.00 0.00 C ATOM 105 CG1 ILE A 7 1.046 -2.928 -2.920 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.617 -0.558 -2.384 1.00 0.00 C ATOM 107 CD1 ILE A 7 2.566 -3.089 -3.092 1.00 0.00 C ATOM 0 H ILE A 7 -0.648 -3.179 0.176 1.00 0.00 H new ATOM 0 HA ILE A 7 2.138 -2.332 -0.411 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.317 -1.515 -2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.618 -3.847 -2.520 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.579 -2.755 -3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.397 -0.281 -3.415 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.405 0.286 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.669 -0.829 -2.298 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.770 -3.923 -3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.983 -2.174 -3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.023 -3.284 -2.122 1.00 0.00 H new ATOM 119 N SER A 8 1.440 0.121 0.283 1.00 0.00 N ATOM 120 CA SER A 8 1.136 1.320 1.120 1.00 0.00 C ATOM 121 C SER A 8 1.340 2.606 0.322 1.00 0.00 C ATOM 122 O SER A 8 2.149 2.648 -0.585 1.00 0.00 O ATOM 123 CB SER A 8 2.092 1.330 2.322 1.00 0.00 C ATOM 124 OG SER A 8 1.791 2.545 2.994 1.00 0.00 O ATOM 0 H SER A 8 2.250 0.212 -0.331 1.00 0.00 H new ATOM 0 HA SER A 8 0.097 1.270 1.445 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.930 0.467 2.967 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.134 1.298 2.003 1.00 0.00 H new ATOM 0 HG SER A 8 2.363 2.631 3.785 1.00 0.00 H new ATOM 130 N CYS A 9 0.592 3.632 0.673 1.00 0.00 N ATOM 131 CA CYS A 9 0.727 4.928 -0.054 1.00 0.00 C ATOM 132 C CYS A 9 0.735 6.125 0.934 1.00 0.00 C ATOM 133 O CYS A 9 -0.107 6.212 1.807 1.00 0.00 O ATOM 134 CB CYS A 9 -0.482 5.078 -0.980 1.00 0.00 C ATOM 135 SG CYS A 9 -0.282 4.555 -2.700 1.00 0.00 S ATOM 0 H CYS A 9 -0.098 3.623 1.425 1.00 0.00 H new ATOM 0 HA CYS A 9 1.665 4.927 -0.610 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.308 4.512 -0.550 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.779 6.127 -0.979 1.00 0.00 H new ATOM 0 HG CYS A 9 0.130 3.323 -2.734 1.00 0.00 H new ATOM 141 N PRO A 10 1.700 7.035 0.770 1.00 0.00 N ATOM 142 CA PRO A 10 1.811 8.211 1.643 1.00 0.00 C ATOM 143 C PRO A 10 0.637 9.194 1.484 1.00 0.00 C ATOM 144 O PRO A 10 -0.085 9.185 0.487 1.00 0.00 O ATOM 145 CB PRO A 10 3.109 8.914 1.194 1.00 0.00 C ATOM 146 CG PRO A 10 3.619 8.178 -0.079 1.00 0.00 C ATOM 147 CD PRO A 10 2.752 6.926 -0.255 1.00 0.00 C ATOM 0 HA PRO A 10 1.808 7.901 2.688 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.922 9.966 0.980 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.858 8.878 1.985 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.544 8.824 -0.953 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.669 7.907 0.028 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.323 6.882 -1.256 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.340 6.018 -0.120 1.00 0.00 H new ATOM 155 N GLU A 11 0.484 10.031 2.479 1.00 0.00 N ATOM 156 CA GLU A 11 -0.607 11.034 2.453 1.00 0.00 C ATOM 157 C GLU A 11 -0.034 12.420 2.200 1.00 0.00 C ATOM 158 O GLU A 11 1.154 12.635 2.343 1.00 0.00 O ATOM 159 CB GLU A 11 -1.291 11.036 3.828 1.00 0.00 C ATOM 160 CG GLU A 11 -2.230 9.838 3.924 1.00 0.00 C ATOM 161 CD GLU A 11 -3.163 10.026 5.124 1.00 0.00 C ATOM 162 OE1 GLU A 11 -3.931 10.972 5.067 1.00 0.00 O ATOM 163 OE2 GLU A 11 -3.053 9.215 6.027 1.00 0.00 O ATOM 0 H GLU A 11 1.075 10.057 3.310 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.314 10.784 1.662 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.543 10.991 4.619 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.848 11.962 3.969 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.812 9.742 3.007 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.656 8.918 4.035 1.00 0.00 H new ATOM 170 N ASN A 12 -0.883 13.336 1.832 1.00 0.00 N ATOM 171 CA ASN A 12 -0.401 14.715 1.567 1.00 0.00 C ATOM 172 C ASN A 12 0.910 14.706 0.786 1.00 0.00 C ATOM 173 O ASN A 12 1.819 15.449 1.097 1.00 0.00 O ATOM 174 CB ASN A 12 -0.154 15.408 2.917 1.00 0.00 C ATOM 175 CG ASN A 12 -1.492 15.727 3.583 1.00 0.00 C ATOM 176 OD1 ASN A 12 -2.542 15.598 2.987 1.00 0.00 O ATOM 177 ND2 ASN A 12 -1.494 16.149 4.817 1.00 0.00 N ATOM 0 H ASN A 12 -1.884 13.190 1.704 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.153 15.239 0.977 1.00 0.00 H new ATOM 0 HB2 ASN A 12 0.441 14.764 3.564 1.00 0.00 H new ATOM 0 HB3 ASN A 12 0.417 16.325 2.768 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -2.376 16.370 5.279 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.613 16.258 5.320 1.00 0.00 H new ATOM 184 N GLU A 13 0.988 13.854 -0.206 1.00 0.00 N ATOM 185 CA GLU A 13 2.235 13.782 -1.018 1.00 0.00 C ATOM 186 C GLU A 13 2.806 15.172 -1.270 1.00 0.00 C ATOM 187 O GLU A 13 2.071 16.111 -1.507 1.00 0.00 O ATOM 188 CB GLU A 13 1.904 13.138 -2.373 1.00 0.00 C ATOM 189 CG GLU A 13 1.619 11.651 -2.165 1.00 0.00 C ATOM 190 CD GLU A 13 2.887 10.853 -2.468 1.00 0.00 C ATOM 191 OE1 GLU A 13 3.933 11.317 -2.045 1.00 0.00 O ATOM 192 OE2 GLU A 13 2.740 9.828 -3.107 1.00 0.00 O ATOM 0 H GLU A 13 0.247 13.211 -0.485 1.00 0.00 H new ATOM 0 HA GLU A 13 2.972 13.193 -0.472 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.039 13.627 -2.820 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.737 13.268 -3.064 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.296 11.470 -1.140 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.807 11.329 -2.817 1.00 0.00 H new ATOM 199 N LYS A 14 4.113 15.271 -1.212 1.00 0.00 N ATOM 200 CA LYS A 14 4.773 16.586 -1.443 1.00 0.00 C ATOM 201 C LYS A 14 5.592 16.568 -2.727 1.00 0.00 C ATOM 202 O LYS A 14 5.800 15.527 -3.321 1.00 0.00 O ATOM 203 CB LYS A 14 5.717 16.857 -0.263 1.00 0.00 C ATOM 204 CG LYS A 14 6.795 15.770 -0.229 1.00 0.00 C ATOM 205 CD LYS A 14 7.467 15.766 1.145 1.00 0.00 C ATOM 206 CE LYS A 14 8.564 16.829 1.167 1.00 0.00 C ATOM 207 NZ LYS A 14 9.354 16.735 2.426 1.00 0.00 N ATOM 0 H LYS A 14 4.747 14.496 -1.015 1.00 0.00 H new ATOM 0 HA LYS A 14 4.009 17.359 -1.530 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.176 17.840 -0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.158 16.863 0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.351 14.795 -0.432 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.535 15.952 -1.008 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.732 15.968 1.924 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.891 14.784 1.354 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.222 16.700 0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.120 17.821 1.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.096 17.464 2.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.726 16.881 3.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.793 15.795 2.491 1.00 0.00 H new ATOM 221 N GLY A 15 6.046 17.724 -3.131 1.00 0.00 N ATOM 222 CA GLY A 15 6.857 17.798 -4.379 1.00 0.00 C ATOM 223 C GLY A 15 5.970 18.147 -5.576 1.00 0.00 C ATOM 224 O GLY A 15 5.313 19.169 -5.585 1.00 0.00 O ATOM 0 H GLY A 15 5.892 18.613 -2.655 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.639 18.549 -4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.354 16.844 -4.553 1.00 0.00 H new ATOM 228 N GLU A 16 5.975 17.289 -6.561 1.00 0.00 N ATOM 229 CA GLU A 16 5.144 17.546 -7.766 1.00 0.00 C ATOM 230 C GLU A 16 4.521 16.254 -8.273 1.00 0.00 C ATOM 231 O GLU A 16 5.084 15.188 -8.118 1.00 0.00 O ATOM 232 CB GLU A 16 6.049 18.127 -8.862 1.00 0.00 C ATOM 233 CG GLU A 16 5.259 19.157 -9.671 1.00 0.00 C ATOM 234 CD GLU A 16 5.841 19.243 -11.084 1.00 0.00 C ATOM 235 OE1 GLU A 16 6.749 20.042 -11.247 1.00 0.00 O ATOM 236 OE2 GLU A 16 5.346 18.506 -11.919 1.00 0.00 O ATOM 0 H GLU A 16 6.517 16.425 -6.581 1.00 0.00 H new ATOM 0 HA GLU A 16 4.345 18.242 -7.511 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.928 18.593 -8.416 1.00 0.00 H new ATOM 0 HB3 GLU A 16 6.407 17.331 -9.515 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.207 18.873 -9.715 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.306 20.132 -9.186 1.00 0.00 H new ATOM 243 N PHE A 17 3.367 16.373 -8.874 1.00 0.00 N ATOM 244 CA PHE A 17 2.684 15.167 -9.401 1.00 0.00 C ATOM 245 C PHE A 17 2.958 14.992 -10.899 1.00 0.00 C ATOM 246 O PHE A 17 3.199 15.953 -11.602 1.00 0.00 O ATOM 247 CB PHE A 17 1.177 15.358 -9.179 1.00 0.00 C ATOM 248 CG PHE A 17 0.917 15.374 -7.678 1.00 0.00 C ATOM 249 CD1 PHE A 17 1.119 14.233 -6.923 1.00 0.00 C ATOM 250 CD2 PHE A 17 0.516 16.538 -7.044 1.00 0.00 C ATOM 251 CE1 PHE A 17 0.931 14.256 -5.562 1.00 0.00 C ATOM 252 CE2 PHE A 17 0.329 16.556 -5.678 1.00 0.00 C ATOM 253 CZ PHE A 17 0.537 15.416 -4.939 1.00 0.00 C ATOM 0 H PHE A 17 2.873 17.253 -9.020 1.00 0.00 H new ATOM 0 HA PHE A 17 3.053 14.280 -8.887 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.841 16.290 -9.633 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.617 14.552 -9.653 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.427 13.318 -7.406 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.349 17.435 -7.622 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.093 13.360 -4.981 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.019 17.467 -5.188 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.391 15.432 -3.869 1.00 0.00 H new ATOM 263 N PRO A 18 2.916 13.751 -11.363 1.00 0.00 N ATOM 264 CA PRO A 18 2.667 12.571 -10.517 1.00 0.00 C ATOM 265 C PRO A 18 3.872 12.232 -9.632 1.00 0.00 C ATOM 266 O PRO A 18 4.914 12.848 -9.739 1.00 0.00 O ATOM 267 CB PRO A 18 2.441 11.418 -11.515 1.00 0.00 C ATOM 268 CG PRO A 18 2.753 11.971 -12.941 1.00 0.00 C ATOM 269 CD PRO A 18 3.070 13.469 -12.791 1.00 0.00 C ATOM 0 HA PRO A 18 1.826 12.746 -9.846 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.089 10.574 -11.280 1.00 0.00 H new ATOM 0 HB3 PRO A 18 1.414 11.057 -11.459 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.598 11.442 -13.382 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.902 11.823 -13.605 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.081 13.694 -13.130 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.391 14.077 -13.388 1.00 0.00 H new ATOM 277 N LYS A 19 3.692 11.256 -8.771 1.00 0.00 N ATOM 278 CA LYS A 19 4.804 10.853 -7.864 1.00 0.00 C ATOM 279 C LYS A 19 4.914 9.331 -7.780 1.00 0.00 C ATOM 280 O LYS A 19 3.926 8.644 -7.640 1.00 0.00 O ATOM 281 CB LYS A 19 4.503 11.408 -6.461 1.00 0.00 C ATOM 282 CG LYS A 19 5.543 12.473 -6.108 1.00 0.00 C ATOM 283 CD LYS A 19 6.847 11.783 -5.709 1.00 0.00 C ATOM 284 CE LYS A 19 6.830 11.513 -4.203 1.00 0.00 C ATOM 285 NZ LYS A 19 8.123 10.915 -3.766 1.00 0.00 N ATOM 0 H LYS A 19 2.827 10.727 -8.661 1.00 0.00 H new ATOM 0 HA LYS A 19 5.744 11.247 -8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.502 11.837 -6.434 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.525 10.603 -5.726 1.00 0.00 H new ATOM 0 HG2 LYS A 19 5.711 13.132 -6.960 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.181 13.096 -5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.961 10.848 -6.257 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.699 12.411 -5.969 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.651 12.443 -3.663 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.009 10.839 -3.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.095 10.738 -2.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.278 10.018 -4.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.900 11.572 -3.983 1.00 0.00 H new ATOM 299 N ASN A 20 6.118 8.837 -7.860 1.00 0.00 N ATOM 300 CA ASN A 20 6.312 7.365 -7.787 1.00 0.00 C ATOM 301 C ASN A 20 6.126 6.854 -6.367 1.00 0.00 C ATOM 302 O ASN A 20 6.453 7.536 -5.416 1.00 0.00 O ATOM 303 CB ASN A 20 7.735 7.048 -8.236 1.00 0.00 C ATOM 304 CG ASN A 20 8.073 7.877 -9.478 1.00 0.00 C ATOM 305 OD1 ASN A 20 7.489 7.705 -10.530 1.00 0.00 O ATOM 306 ND2 ASN A 20 9.007 8.785 -9.400 1.00 0.00 N ATOM 0 H ASN A 20 6.970 9.386 -7.972 1.00 0.00 H new ATOM 0 HA ASN A 20 5.575 6.881 -8.427 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.439 7.270 -7.434 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.830 5.985 -8.458 1.00 0.00 H new ATOM 0 HD21 ASN A 20 9.243 9.345 -10.219 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.501 8.934 -8.520 1.00 0.00 H new ATOM 313 N LEU A 21 5.610 5.647 -6.256 1.00 0.00 N ATOM 314 CA LEU A 21 5.385 5.051 -4.907 1.00 0.00 C ATOM 315 C LEU A 21 6.202 3.785 -4.719 1.00 0.00 C ATOM 316 O LEU A 21 7.119 3.748 -3.923 1.00 0.00 O ATOM 317 CB LEU A 21 3.899 4.690 -4.783 1.00 0.00 C ATOM 318 CG LEU A 21 3.063 5.935 -5.050 1.00 0.00 C ATOM 319 CD1 LEU A 21 1.576 5.592 -4.887 1.00 0.00 C ATOM 320 CD2 LEU A 21 3.450 7.018 -4.040 1.00 0.00 C ATOM 0 H LEU A 21 5.338 5.056 -7.042 1.00 0.00 H new ATOM 0 HA LEU A 21 5.687 5.775 -4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.642 3.904 -5.493 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.688 4.301 -3.787 1.00 0.00 H new ATOM 0 HG LEU A 21 3.243 6.294 -6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.975 6.481 -5.077 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.303 4.810 -5.596 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.393 5.241 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.857 7.914 -4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.261 6.657 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.508 7.255 -4.148 1.00 0.00 H new ATOM 332 N VAL A 22 5.860 2.765 -5.458 1.00 0.00 N ATOM 333 CA VAL A 22 6.616 1.493 -5.324 1.00 0.00 C ATOM 334 C VAL A 22 6.445 0.618 -6.554 1.00 0.00 C ATOM 335 O VAL A 22 5.514 0.783 -7.314 1.00 0.00 O ATOM 336 CB VAL A 22 6.070 0.736 -4.104 1.00 0.00 C ATOM 337 CG1 VAL A 22 4.687 0.171 -4.437 1.00 0.00 C ATOM 338 CG2 VAL A 22 7.016 -0.417 -3.762 1.00 0.00 C ATOM 0 H VAL A 22 5.101 2.758 -6.139 1.00 0.00 H new ATOM 0 HA VAL A 22 7.675 1.724 -5.209 1.00 0.00 H new ATOM 0 HB VAL A 22 5.994 1.415 -3.254 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.296 -0.367 -3.573 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.012 0.988 -4.692 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.767 -0.511 -5.284 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.633 -0.958 -2.897 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.085 -1.096 -4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.005 -0.020 -3.533 1.00 0.00 H new ATOM 348 N GLN A 23 7.352 -0.302 -6.724 1.00 0.00 N ATOM 349 CA GLN A 23 7.268 -1.203 -7.895 1.00 0.00 C ATOM 350 C GLN A 23 6.305 -2.358 -7.628 1.00 0.00 C ATOM 351 O GLN A 23 6.114 -2.762 -6.498 1.00 0.00 O ATOM 352 CB GLN A 23 8.669 -1.777 -8.158 1.00 0.00 C ATOM 353 CG GLN A 23 9.014 -1.612 -9.639 1.00 0.00 C ATOM 354 CD GLN A 23 10.279 -2.412 -9.951 1.00 0.00 C ATOM 355 OE1 GLN A 23 11.096 -2.662 -9.088 1.00 0.00 O ATOM 356 NE2 GLN A 23 10.478 -2.831 -11.170 1.00 0.00 N ATOM 0 H GLN A 23 8.144 -0.465 -6.102 1.00 0.00 H new ATOM 0 HA GLN A 23 6.903 -0.640 -8.754 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.407 -1.263 -7.542 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.701 -2.831 -7.881 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.187 -1.959 -10.259 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.168 -0.559 -9.874 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.795 -2.624 -11.898 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.317 -3.366 -11.395 1.00 0.00 H new ATOM 365 N ILE A 24 5.718 -2.865 -8.678 1.00 0.00 N ATOM 366 CA ILE A 24 4.764 -3.994 -8.519 1.00 0.00 C ATOM 367 C ILE A 24 5.460 -5.332 -8.785 1.00 0.00 C ATOM 368 O ILE A 24 6.403 -5.392 -9.550 1.00 0.00 O ATOM 369 CB ILE A 24 3.631 -3.803 -9.538 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.501 -3.004 -8.910 1.00 0.00 C ATOM 371 CG2 ILE A 24 3.095 -5.179 -9.950 1.00 0.00 C ATOM 372 CD1 ILE A 24 1.509 -2.599 -10.002 1.00 0.00 C ATOM 0 H ILE A 24 5.859 -2.545 -9.636 1.00 0.00 H new ATOM 0 HA ILE A 24 4.377 -4.005 -7.500 1.00 0.00 H new ATOM 0 HB ILE A 24 4.014 -3.269 -10.408 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.999 -3.599 -8.147 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.897 -2.118 -8.414 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.290 -5.054 -10.674 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.899 -5.763 -10.399 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.715 -5.700 -9.071 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.695 -2.025 -9.559 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.018 -1.990 -10.749 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.106 -3.493 -10.477 1.00 0.00 H new ATOM 384 N LYS A 25 4.965 -6.387 -8.162 1.00 0.00 N ATOM 385 CA LYS A 25 5.595 -7.725 -8.371 1.00 0.00 C ATOM 386 C LYS A 25 4.554 -8.865 -8.476 1.00 0.00 C ATOM 387 O LYS A 25 3.780 -9.083 -7.563 1.00 0.00 O ATOM 388 CB LYS A 25 6.491 -8.016 -7.153 1.00 0.00 C ATOM 389 CG LYS A 25 7.331 -6.772 -6.812 1.00 0.00 C ATOM 390 CD LYS A 25 8.643 -7.205 -6.133 1.00 0.00 C ATOM 391 CE LYS A 25 8.397 -7.467 -4.647 1.00 0.00 C ATOM 392 NZ LYS A 25 9.632 -7.995 -4.000 1.00 0.00 N ATOM 0 H LYS A 25 4.165 -6.373 -7.530 1.00 0.00 H new ATOM 0 HA LYS A 25 6.151 -7.693 -9.308 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.877 -8.297 -6.297 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.146 -8.861 -7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.548 -6.208 -7.719 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.769 -6.111 -6.152 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.030 -8.105 -6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.399 -6.429 -6.254 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.087 -6.545 -4.155 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.582 -8.181 -4.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.449 -8.168 -2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.911 -8.886 -4.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 10.400 -7.300 -4.098 1.00 0.00 H new ATOM 406 N SER A 26 4.568 -9.572 -9.605 1.00 0.00 N ATOM 407 CA SER A 26 3.594 -10.708 -9.800 1.00 0.00 C ATOM 408 C SER A 26 4.336 -12.041 -9.938 1.00 0.00 C ATOM 409 O SER A 26 5.542 -12.079 -9.984 1.00 0.00 O ATOM 410 CB SER A 26 2.790 -10.475 -11.085 1.00 0.00 C ATOM 411 OG SER A 26 2.209 -11.741 -11.359 1.00 0.00 O ATOM 0 H SER A 26 5.205 -9.409 -10.385 1.00 0.00 H new ATOM 0 HA SER A 26 2.936 -10.746 -8.932 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.028 -9.708 -10.946 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.431 -10.144 -11.903 1.00 0.00 H new ATOM 0 HG SER A 26 1.669 -11.683 -12.174 1.00 0.00 H new ATOM 417 N ASN A 27 3.593 -13.110 -10.029 1.00 0.00 N ATOM 418 CA ASN A 27 4.249 -14.442 -10.163 1.00 0.00 C ATOM 419 C ASN A 27 4.668 -14.741 -11.609 1.00 0.00 C ATOM 420 O ASN A 27 5.821 -15.016 -11.871 1.00 0.00 O ATOM 421 CB ASN A 27 3.248 -15.516 -9.708 1.00 0.00 C ATOM 422 CG ASN A 27 3.929 -16.888 -9.725 1.00 0.00 C ATOM 423 OD1 ASN A 27 4.118 -17.488 -10.765 1.00 0.00 O ATOM 424 ND2 ASN A 27 4.310 -17.421 -8.595 1.00 0.00 N ATOM 0 H ASN A 27 2.573 -13.120 -10.017 1.00 0.00 H new ATOM 0 HA ASN A 27 5.150 -14.442 -9.550 1.00 0.00 H new ATOM 0 HB2 ASN A 27 2.886 -15.290 -8.705 1.00 0.00 H new ATOM 0 HB3 ASN A 27 2.379 -15.521 -10.366 1.00 0.00 H new ATOM 0 HD21 ASN A 27 4.763 -18.335 -8.589 1.00 0.00 H new ATOM 0 HD22 ASN A 27 4.155 -16.923 -7.718 1.00 0.00 H new ATOM 431 N ARG A 28 3.721 -14.681 -12.515 1.00 0.00 N ATOM 432 CA ARG A 28 4.041 -14.961 -13.954 1.00 0.00 C ATOM 433 C ARG A 28 5.424 -14.442 -14.354 1.00 0.00 C ATOM 434 O ARG A 28 6.059 -14.979 -15.246 1.00 0.00 O ATOM 435 CB ARG A 28 2.989 -14.261 -14.826 1.00 0.00 C ATOM 436 CG ARG A 28 1.685 -15.065 -14.784 1.00 0.00 C ATOM 437 CD ARG A 28 1.800 -16.281 -15.713 1.00 0.00 C ATOM 438 NE ARG A 28 2.362 -17.431 -14.945 1.00 0.00 N ATOM 439 CZ ARG A 28 1.552 -18.258 -14.338 1.00 0.00 C ATOM 440 NH1 ARG A 28 0.373 -18.483 -14.853 1.00 0.00 N ATOM 441 NH2 ARG A 28 1.951 -18.837 -13.239 1.00 0.00 N ATOM 0 H ARG A 28 2.746 -14.452 -12.324 1.00 0.00 H new ATOM 0 HA ARG A 28 4.035 -16.042 -14.097 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.817 -13.247 -14.466 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.346 -14.178 -15.852 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.480 -15.392 -13.764 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.849 -14.437 -15.092 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.821 -16.540 -16.116 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.442 -16.046 -16.562 1.00 0.00 H new ATOM 0 HE ARG A 28 3.371 -17.570 -14.894 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.096 -18.016 -15.717 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.271 -19.126 -14.392 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.881 -18.641 -12.868 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.333 -19.485 -12.751 1.00 0.00 H new ATOM 455 N ASP A 29 5.876 -13.421 -13.691 1.00 0.00 N ATOM 456 CA ASP A 29 7.212 -12.875 -14.037 1.00 0.00 C ATOM 457 C ASP A 29 8.299 -13.926 -13.831 1.00 0.00 C ATOM 458 O ASP A 29 9.474 -13.614 -13.835 1.00 0.00 O ATOM 459 CB ASP A 29 7.502 -11.682 -13.118 1.00 0.00 C ATOM 460 CG ASP A 29 7.991 -12.198 -11.763 1.00 0.00 C ATOM 461 OD1 ASP A 29 7.369 -13.131 -11.283 1.00 0.00 O ATOM 462 OD2 ASP A 29 8.959 -11.629 -11.285 1.00 0.00 O ATOM 0 H ASP A 29 5.386 -12.945 -12.933 1.00 0.00 H new ATOM 0 HA ASP A 29 7.211 -12.573 -15.084 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.256 -11.036 -13.568 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.602 -11.080 -12.988 1.00 0.00 H new ATOM 467 N LYS A 30 7.886 -15.160 -13.656 1.00 0.00 N ATOM 468 CA LYS A 30 8.877 -16.243 -13.449 1.00 0.00 C ATOM 469 C LYS A 30 9.185 -16.993 -14.747 1.00 0.00 C ATOM 470 O LYS A 30 10.009 -17.887 -14.750 1.00 0.00 O ATOM 471 CB LYS A 30 8.294 -17.246 -12.437 1.00 0.00 C ATOM 472 CG LYS A 30 8.416 -16.668 -11.026 1.00 0.00 C ATOM 473 CD LYS A 30 7.675 -17.582 -10.048 1.00 0.00 C ATOM 474 CE LYS A 30 8.030 -17.181 -8.617 1.00 0.00 C ATOM 475 NZ LYS A 30 9.481 -17.402 -8.358 1.00 0.00 N ATOM 0 H LYS A 30 6.909 -15.454 -13.649 1.00 0.00 H new ATOM 0 HA LYS A 30 9.802 -15.794 -13.088 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.249 -17.450 -12.670 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.826 -18.195 -12.501 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.465 -16.585 -10.743 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.996 -15.663 -10.993 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.599 -17.505 -10.204 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.949 -18.622 -10.225 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.781 -16.132 -8.455 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.436 -17.763 -7.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.600 -17.911 -7.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.890 -17.965 -9.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.968 -16.484 -8.303 1.00 0.00 H new ATOM 489 N GLU A 31 8.516 -16.628 -15.832 1.00 0.00 N ATOM 490 CA GLU A 31 8.788 -17.341 -17.130 1.00 0.00 C ATOM 491 C GLU A 31 8.994 -16.380 -18.298 1.00 0.00 C ATOM 492 O GLU A 31 9.654 -16.720 -19.262 1.00 0.00 O ATOM 493 CB GLU A 31 7.586 -18.247 -17.461 1.00 0.00 C ATOM 494 CG GLU A 31 6.296 -17.429 -17.409 1.00 0.00 C ATOM 495 CD GLU A 31 5.101 -18.349 -17.679 1.00 0.00 C ATOM 496 OE1 GLU A 31 4.747 -19.062 -16.754 1.00 0.00 O ATOM 497 OE2 GLU A 31 4.610 -18.285 -18.794 1.00 0.00 O ATOM 0 H GLU A 31 7.814 -15.889 -15.872 1.00 0.00 H new ATOM 0 HA GLU A 31 9.706 -17.914 -16.999 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.710 -18.686 -18.451 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.534 -19.072 -16.751 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.191 -16.955 -16.433 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.329 -16.630 -18.149 1.00 0.00 H new ATOM 504 N THR A 32 8.439 -15.204 -18.213 1.00 0.00 N ATOM 505 CA THR A 32 8.626 -14.254 -19.340 1.00 0.00 C ATOM 506 C THR A 32 8.347 -12.814 -18.931 1.00 0.00 C ATOM 507 O THR A 32 7.632 -12.561 -17.981 1.00 0.00 O ATOM 508 CB THR A 32 7.632 -14.643 -20.435 1.00 0.00 C ATOM 509 OG1 THR A 32 8.093 -14.006 -21.609 1.00 0.00 O ATOM 510 CG2 THR A 32 6.258 -14.015 -20.162 1.00 0.00 C ATOM 0 H THR A 32 7.877 -14.866 -17.432 1.00 0.00 H new ATOM 0 HA THR A 32 9.661 -14.310 -19.676 1.00 0.00 H new ATOM 0 HB THR A 32 7.553 -15.728 -20.496 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.139 -14.659 -22.339 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.563 -14.302 -20.951 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.882 -14.367 -19.201 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.352 -12.929 -20.139 1.00 0.00 H new ATOM 518 N LYS A 33 8.922 -11.886 -19.663 1.00 0.00 N ATOM 519 CA LYS A 33 8.696 -10.460 -19.332 1.00 0.00 C ATOM 520 C LYS A 33 7.204 -10.194 -19.296 1.00 0.00 C ATOM 521 O LYS A 33 6.550 -10.192 -20.321 1.00 0.00 O ATOM 522 CB LYS A 33 9.336 -9.591 -20.432 1.00 0.00 C ATOM 523 CG LYS A 33 9.717 -8.228 -19.842 1.00 0.00 C ATOM 524 CD LYS A 33 9.953 -7.229 -20.984 1.00 0.00 C ATOM 525 CE LYS A 33 11.400 -7.346 -21.470 1.00 0.00 C ATOM 526 NZ LYS A 33 12.192 -6.162 -21.034 1.00 0.00 N ATOM 0 H LYS A 33 9.529 -12.061 -20.464 1.00 0.00 H new ATOM 0 HA LYS A 33 9.137 -10.223 -18.364 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.220 -10.086 -20.835 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.639 -9.460 -21.260 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.924 -7.868 -19.187 1.00 0.00 H new ATOM 0 HG3 LYS A 33 10.616 -8.321 -19.233 1.00 0.00 H new ATOM 0 HD2 LYS A 33 9.265 -7.429 -21.805 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.754 -6.214 -20.641 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.850 -8.257 -21.076 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.420 -7.425 -22.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.171 -6.256 -21.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.771 -5.298 -21.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 12.188 -6.105 -19.996 1.00 0.00 H new ATOM 540 N VAL A 34 6.691 -9.971 -18.122 1.00 0.00 N ATOM 541 CA VAL A 34 5.238 -9.708 -17.998 1.00 0.00 C ATOM 542 C VAL A 34 4.934 -8.220 -17.889 1.00 0.00 C ATOM 543 O VAL A 34 5.601 -7.492 -17.183 1.00 0.00 O ATOM 544 CB VAL A 34 4.747 -10.404 -16.717 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.485 -9.818 -15.514 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.248 -10.164 -16.546 1.00 0.00 C ATOM 0 H VAL A 34 7.214 -9.960 -17.247 1.00 0.00 H new ATOM 0 HA VAL A 34 4.737 -10.085 -18.889 1.00 0.00 H new ATOM 0 HB VAL A 34 4.940 -11.474 -16.789 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.141 -10.307 -14.603 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.557 -9.979 -15.631 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.284 -8.749 -15.450 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.902 -10.658 -15.638 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.057 -9.093 -16.472 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.714 -10.569 -17.406 1.00 0.00 H new ATOM 556 N PHE A 35 3.918 -7.804 -18.600 1.00 0.00 N ATOM 557 CA PHE A 35 3.524 -6.379 -18.572 1.00 0.00 C ATOM 558 C PHE A 35 2.370 -6.209 -17.616 1.00 0.00 C ATOM 559 O PHE A 35 1.519 -7.080 -17.518 1.00 0.00 O ATOM 560 CB PHE A 35 3.066 -5.949 -19.978 1.00 0.00 C ATOM 561 CG PHE A 35 4.284 -5.615 -20.850 1.00 0.00 C ATOM 562 CD1 PHE A 35 5.541 -6.112 -20.541 1.00 0.00 C ATOM 563 CD2 PHE A 35 4.142 -4.795 -21.957 1.00 0.00 C ATOM 564 CE1 PHE A 35 6.631 -5.792 -21.326 1.00 0.00 C ATOM 565 CE2 PHE A 35 5.235 -4.479 -22.738 1.00 0.00 C ATOM 566 CZ PHE A 35 6.476 -4.977 -22.423 1.00 0.00 C ATOM 0 H PHE A 35 3.346 -8.399 -19.199 1.00 0.00 H new ATOM 0 HA PHE A 35 4.371 -5.771 -18.255 1.00 0.00 H new ATOM 0 HB2 PHE A 35 2.486 -6.748 -20.440 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.411 -5.080 -19.906 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.668 -6.753 -19.681 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.169 -4.400 -22.211 1.00 0.00 H new ATOM 0 HE1 PHE A 35 7.607 -6.182 -21.078 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.114 -3.838 -23.599 1.00 0.00 H new ATOM 0 HZ PHE A 35 7.329 -4.729 -23.036 1.00 0.00 H new ATOM 576 N TYR A 36 2.342 -5.091 -16.936 1.00 0.00 N ATOM 577 CA TYR A 36 1.242 -4.853 -15.968 1.00 0.00 C ATOM 578 C TYR A 36 0.136 -3.960 -16.517 1.00 0.00 C ATOM 579 O TYR A 36 0.293 -3.289 -17.518 1.00 0.00 O ATOM 580 CB TYR A 36 1.845 -4.176 -14.737 1.00 0.00 C ATOM 581 CG TYR A 36 2.510 -5.239 -13.879 1.00 0.00 C ATOM 582 CD1 TYR A 36 1.764 -6.263 -13.346 1.00 0.00 C ATOM 583 CD2 TYR A 36 3.867 -5.204 -13.642 1.00 0.00 C ATOM 584 CE1 TYR A 36 2.359 -7.238 -12.588 1.00 0.00 C ATOM 585 CE2 TYR A 36 4.466 -6.183 -12.882 1.00 0.00 C ATOM 586 CZ TYR A 36 3.717 -7.209 -12.349 1.00 0.00 C ATOM 587 OH TYR A 36 4.314 -8.174 -11.567 1.00 0.00 O ATOM 0 H TYR A 36 3.030 -4.341 -17.012 1.00 0.00 H new ATOM 0 HA TYR A 36 0.787 -5.817 -15.738 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.573 -3.422 -15.038 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.069 -3.662 -14.169 1.00 0.00 H new ATOM 0 HD1 TYR A 36 0.700 -6.300 -13.526 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.464 -4.404 -14.055 1.00 0.00 H new ATOM 0 HE1 TYR A 36 1.759 -8.035 -12.175 1.00 0.00 H new ATOM 0 HE2 TYR A 36 5.530 -6.146 -12.702 1.00 0.00 H new ATOM 0 HH TYR A 36 5.281 -8.016 -11.533 1.00 0.00 H new ATOM 597 N SER A 37 -0.973 -3.995 -15.825 1.00 0.00 N ATOM 598 CA SER A 37 -2.149 -3.185 -16.219 1.00 0.00 C ATOM 599 C SER A 37 -3.076 -3.046 -15.019 1.00 0.00 C ATOM 600 O SER A 37 -3.695 -4.004 -14.606 1.00 0.00 O ATOM 601 CB SER A 37 -2.893 -3.914 -17.349 1.00 0.00 C ATOM 602 OG SER A 37 -1.976 -3.905 -18.434 1.00 0.00 O ATOM 0 H SER A 37 -1.109 -4.563 -14.989 1.00 0.00 H new ATOM 0 HA SER A 37 -1.832 -2.199 -16.557 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.158 -4.931 -17.060 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.821 -3.405 -17.608 1.00 0.00 H new ATOM 0 HG SER A 37 -1.218 -3.324 -18.216 1.00 0.00 H new ATOM 608 N ILE A 38 -3.160 -1.860 -14.486 1.00 0.00 N ATOM 609 CA ILE A 38 -4.042 -1.646 -13.305 1.00 0.00 C ATOM 610 C ILE A 38 -5.388 -1.037 -13.682 1.00 0.00 C ATOM 611 O ILE A 38 -5.507 -0.313 -14.649 1.00 0.00 O ATOM 612 CB ILE A 38 -3.333 -0.683 -12.365 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.116 -0.561 -11.068 1.00 0.00 C ATOM 614 CG2 ILE A 38 -3.280 0.696 -13.039 1.00 0.00 C ATOM 615 CD1 ILE A 38 -3.438 0.475 -10.170 1.00 0.00 C ATOM 0 H ILE A 38 -2.660 -1.034 -14.814 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.233 -2.615 -12.845 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.329 -1.049 -12.149 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.144 -0.263 -11.276 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.159 -1.526 -10.563 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.775 1.403 -12.381 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.734 0.621 -13.979 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.294 1.044 -13.236 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.994 0.568 -9.237 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.418 0.157 -9.954 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.418 1.439 -10.678 1.00 0.00 H new ATOM 627 N THR A 39 -6.380 -1.356 -12.889 1.00 0.00 N ATOM 628 CA THR A 39 -7.739 -0.829 -13.143 1.00 0.00 C ATOM 629 C THR A 39 -8.557 -0.847 -11.851 1.00 0.00 C ATOM 630 O THR A 39 -8.325 -1.668 -10.984 1.00 0.00 O ATOM 631 CB THR A 39 -8.429 -1.727 -14.174 1.00 0.00 C ATOM 632 OG1 THR A 39 -9.770 -1.289 -14.212 1.00 0.00 O ATOM 633 CG2 THR A 39 -8.512 -3.174 -13.668 1.00 0.00 C ATOM 0 H THR A 39 -6.298 -1.963 -12.074 1.00 0.00 H new ATOM 0 HA THR A 39 -7.667 0.194 -13.511 1.00 0.00 H new ATOM 0 HB THR A 39 -7.892 -1.683 -15.121 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.927 -0.788 -15.040 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.006 -3.793 -14.417 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.507 -3.555 -13.488 1.00 0.00 H new ATOM 0 HG23 THR A 39 -9.083 -3.203 -12.740 1.00 0.00 H new ATOM 641 N GLY A 40 -9.495 0.060 -11.743 1.00 0.00 N ATOM 642 CA GLY A 40 -10.338 0.105 -10.507 1.00 0.00 C ATOM 643 C GLY A 40 -10.587 1.553 -10.085 1.00 0.00 C ATOM 644 O GLY A 40 -10.130 2.478 -10.735 1.00 0.00 O ATOM 0 H GLY A 40 -9.713 0.764 -12.448 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.289 -0.396 -10.689 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.842 -0.435 -9.701 1.00 0.00 H new ATOM 648 N GLN A 41 -11.315 1.723 -9.007 1.00 0.00 N ATOM 649 CA GLN A 41 -11.600 3.101 -8.536 1.00 0.00 C ATOM 650 C GLN A 41 -10.305 3.846 -8.270 1.00 0.00 C ATOM 651 O GLN A 41 -9.653 3.628 -7.267 1.00 0.00 O ATOM 652 CB GLN A 41 -12.427 3.051 -7.225 1.00 0.00 C ATOM 653 CG GLN A 41 -12.254 1.692 -6.522 1.00 0.00 C ATOM 654 CD GLN A 41 -10.797 1.517 -6.078 1.00 0.00 C ATOM 655 OE1 GLN A 41 -9.892 1.233 -6.968 1.00 0.00 O flip ATOM 656 NE2 GLN A 41 -10.472 1.629 -4.908 1.00 0.00 N flip ATOM 0 H GLN A 41 -11.716 0.973 -8.444 1.00 0.00 H new ATOM 0 HA GLN A 41 -12.165 3.619 -9.311 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -12.110 3.853 -6.559 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -13.481 3.219 -7.448 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -12.916 1.632 -5.658 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -12.537 0.885 -7.197 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.174 1.852 -4.203 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.498 1.500 -4.635 1.00 0.00 H new ATOM 665 N GLY A 42 -9.958 4.718 -9.177 1.00 0.00 N ATOM 666 CA GLY A 42 -8.703 5.502 -9.013 1.00 0.00 C ATOM 667 C GLY A 42 -7.949 5.551 -10.339 1.00 0.00 C ATOM 668 O GLY A 42 -7.137 6.421 -10.562 1.00 0.00 O ATOM 0 H GLY A 42 -10.490 4.921 -10.024 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.936 6.513 -8.679 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.077 5.048 -8.245 1.00 0.00 H new ATOM 672 N ALA A 43 -8.239 4.598 -11.188 1.00 0.00 N ATOM 673 CA ALA A 43 -7.566 4.550 -12.510 1.00 0.00 C ATOM 674 C ALA A 43 -8.587 4.671 -13.630 1.00 0.00 C ATOM 675 O ALA A 43 -8.619 5.661 -14.340 1.00 0.00 O ATOM 676 CB ALA A 43 -6.853 3.194 -12.640 1.00 0.00 C ATOM 0 H ALA A 43 -8.914 3.853 -11.018 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.858 5.375 -12.584 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.351 3.138 -13.606 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.117 3.092 -11.842 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.585 2.390 -12.564 1.00 0.00 H new ATOM 682 N ASP A 44 -9.418 3.661 -13.753 1.00 0.00 N ATOM 683 CA ASP A 44 -10.458 3.681 -14.819 1.00 0.00 C ATOM 684 C ASP A 44 -11.841 3.940 -14.230 1.00 0.00 C ATOM 685 O ASP A 44 -12.741 4.356 -14.929 1.00 0.00 O ATOM 686 CB ASP A 44 -10.464 2.309 -15.509 1.00 0.00 C ATOM 687 CG ASP A 44 -10.962 1.255 -14.524 1.00 0.00 C ATOM 688 OD1 ASP A 44 -10.908 1.552 -13.343 1.00 0.00 O ATOM 689 OD2 ASP A 44 -11.372 0.213 -15.008 1.00 0.00 O ATOM 0 H ASP A 44 -9.417 2.830 -13.162 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.228 4.479 -15.525 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.106 2.334 -16.389 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.461 2.057 -15.853 1.00 0.00 H new ATOM 694 N LYS A 45 -11.983 3.678 -12.948 1.00 0.00 N ATOM 695 CA LYS A 45 -13.302 3.902 -12.290 1.00 0.00 C ATOM 696 C LYS A 45 -13.263 5.170 -11.428 1.00 0.00 C ATOM 697 O LYS A 45 -12.225 5.536 -10.905 1.00 0.00 O ATOM 698 CB LYS A 45 -13.602 2.701 -11.378 1.00 0.00 C ATOM 699 CG LYS A 45 -14.495 1.707 -12.124 1.00 0.00 C ATOM 700 CD LYS A 45 -13.651 0.950 -13.150 1.00 0.00 C ATOM 701 CE LYS A 45 -14.495 -0.160 -13.776 1.00 0.00 C ATOM 702 NZ LYS A 45 -13.863 -0.648 -15.032 1.00 0.00 N ATOM 0 H LYS A 45 -11.246 3.322 -12.339 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.069 4.014 -13.056 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.673 2.217 -11.078 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.096 3.037 -10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.949 1.008 -11.421 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.310 2.233 -12.622 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.297 1.633 -13.922 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.769 0.526 -12.671 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -14.603 -0.985 -13.071 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -15.498 0.212 -13.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.529 -0.533 -15.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -13.001 -0.099 -15.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -13.618 -1.653 -14.929 1.00 0.00 H new ATOM 716 N PRO A 46 -14.409 5.816 -11.289 1.00 0.00 N ATOM 717 CA PRO A 46 -14.506 7.039 -10.494 1.00 0.00 C ATOM 718 C PRO A 46 -13.988 6.814 -9.053 1.00 0.00 C ATOM 719 O PRO A 46 -14.386 5.871 -8.399 1.00 0.00 O ATOM 720 CB PRO A 46 -16.019 7.358 -10.449 1.00 0.00 C ATOM 721 CG PRO A 46 -16.748 6.282 -11.310 1.00 0.00 C ATOM 722 CD PRO A 46 -15.668 5.356 -11.889 1.00 0.00 C ATOM 0 HA PRO A 46 -13.908 7.842 -10.925 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.385 7.340 -9.422 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.212 8.357 -10.839 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.454 5.716 -10.702 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.321 6.752 -12.109 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -15.867 4.314 -11.639 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.634 5.422 -12.976 1.00 0.00 H new ATOM 730 N PRO A 47 -13.100 7.692 -8.579 1.00 0.00 N ATOM 731 CA PRO A 47 -12.573 8.827 -9.354 1.00 0.00 C ATOM 732 C PRO A 47 -11.703 8.344 -10.517 1.00 0.00 C ATOM 733 O PRO A 47 -10.777 7.581 -10.329 1.00 0.00 O ATOM 734 CB PRO A 47 -11.705 9.617 -8.356 1.00 0.00 C ATOM 735 CG PRO A 47 -11.673 8.807 -7.023 1.00 0.00 C ATOM 736 CD PRO A 47 -12.585 7.584 -7.211 1.00 0.00 C ATOM 0 HA PRO A 47 -13.377 9.423 -9.785 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.697 9.752 -8.747 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -12.119 10.612 -8.191 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -10.656 8.495 -6.787 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -12.019 9.421 -6.192 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -12.031 6.655 -7.071 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -13.397 7.583 -6.484 1.00 0.00 H new ATOM 744 N VAL A 48 -12.023 8.797 -11.695 1.00 0.00 N ATOM 745 CA VAL A 48 -11.235 8.380 -12.878 1.00 0.00 C ATOM 746 C VAL A 48 -9.922 9.152 -12.974 1.00 0.00 C ATOM 747 O VAL A 48 -9.909 10.367 -12.982 1.00 0.00 O ATOM 748 CB VAL A 48 -12.088 8.663 -14.136 1.00 0.00 C ATOM 749 CG1 VAL A 48 -11.176 8.987 -15.319 1.00 0.00 C ATOM 750 CG2 VAL A 48 -12.916 7.422 -14.469 1.00 0.00 C ATOM 0 H VAL A 48 -12.795 9.436 -11.886 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.991 7.321 -12.793 1.00 0.00 H new ATOM 0 HB VAL A 48 -12.745 9.511 -13.943 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -11.783 9.185 -16.202 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.576 9.867 -15.086 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.518 8.140 -15.514 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -13.520 7.615 -15.356 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -12.250 6.581 -14.660 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -13.569 7.184 -13.629 1.00 0.00 H new ATOM 760 N GLY A 49 -8.836 8.427 -13.040 1.00 0.00 N ATOM 761 CA GLY A 49 -7.508 9.102 -13.139 1.00 0.00 C ATOM 762 C GLY A 49 -6.980 9.525 -11.759 1.00 0.00 C ATOM 763 O GLY A 49 -7.184 10.641 -11.328 1.00 0.00 O ATOM 0 H GLY A 49 -8.810 7.407 -13.030 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.792 8.429 -13.612 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -7.593 9.979 -13.781 1.00 0.00 H new ATOM 767 N VAL A 50 -6.310 8.618 -11.102 1.00 0.00 N ATOM 768 CA VAL A 50 -5.755 8.935 -9.754 1.00 0.00 C ATOM 769 C VAL A 50 -4.462 8.169 -9.535 1.00 0.00 C ATOM 770 O VAL A 50 -3.519 8.687 -8.952 1.00 0.00 O ATOM 771 CB VAL A 50 -6.766 8.516 -8.672 1.00 0.00 C ATOM 772 CG1 VAL A 50 -6.440 9.250 -7.370 1.00 0.00 C ATOM 773 CG2 VAL A 50 -8.174 8.896 -9.117 1.00 0.00 C ATOM 0 H VAL A 50 -6.123 7.673 -11.439 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.563 10.006 -9.693 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.709 7.439 -8.517 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.153 8.957 -6.599 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.431 8.990 -7.049 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.503 10.326 -7.533 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.890 8.599 -8.351 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.229 9.974 -9.268 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.410 8.387 -10.051 1.00 0.00 H new ATOM 783 N PHE A 51 -4.447 6.936 -10.011 1.00 0.00 N ATOM 784 CA PHE A 51 -3.233 6.082 -9.860 1.00 0.00 C ATOM 785 C PHE A 51 -2.728 5.624 -11.224 1.00 0.00 C ATOM 786 O PHE A 51 -3.487 5.096 -12.014 1.00 0.00 O ATOM 787 CB PHE A 51 -3.604 4.806 -9.073 1.00 0.00 C ATOM 788 CG PHE A 51 -3.694 5.093 -7.578 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.548 5.278 -6.829 1.00 0.00 C ATOM 790 CD2 PHE A 51 -4.923 5.107 -6.942 1.00 0.00 C ATOM 791 CE1 PHE A 51 -2.630 5.468 -5.466 1.00 0.00 C ATOM 792 CE2 PHE A 51 -5.001 5.298 -5.580 1.00 0.00 C ATOM 793 CZ PHE A 51 -3.857 5.478 -4.844 1.00 0.00 C ATOM 0 H PHE A 51 -5.228 6.493 -10.496 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.470 6.667 -9.347 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.558 4.418 -9.431 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.858 4.033 -9.254 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -1.583 5.274 -7.314 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -5.826 4.967 -7.517 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.730 5.609 -4.886 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -5.964 5.306 -5.091 1.00 0.00 H new ATOM 0 HZ PHE A 51 -3.920 5.628 -3.776 1.00 0.00 H new ATOM 803 N ILE A 52 -1.460 5.837 -11.476 1.00 0.00 N ATOM 804 CA ILE A 52 -0.879 5.418 -12.786 1.00 0.00 C ATOM 805 C ILE A 52 0.210 4.396 -12.552 1.00 0.00 C ATOM 806 O ILE A 52 0.979 4.511 -11.617 1.00 0.00 O ATOM 807 CB ILE A 52 -0.299 6.641 -13.492 1.00 0.00 C ATOM 808 CG1 ILE A 52 0.379 7.544 -12.485 1.00 0.00 C ATOM 809 CG2 ILE A 52 -1.451 7.419 -14.150 1.00 0.00 C ATOM 810 CD1 ILE A 52 1.305 8.515 -13.222 1.00 0.00 C ATOM 0 H ILE A 52 -0.805 6.282 -10.833 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.656 4.975 -13.409 1.00 0.00 H new ATOM 0 HB ILE A 52 0.427 6.319 -14.239 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.367 8.097 -11.914 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.950 6.949 -11.772 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.053 8.297 -14.659 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.957 6.778 -14.873 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.161 7.734 -13.385 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.796 9.168 -12.500 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.058 7.952 -13.773 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.721 9.117 -13.918 1.00 0.00 H new ATOM 822 N ILE A 53 0.253 3.408 -13.411 1.00 0.00 N ATOM 823 CA ILE A 53 1.280 2.348 -13.268 1.00 0.00 C ATOM 824 C ILE A 53 2.061 2.131 -14.562 1.00 0.00 C ATOM 825 O ILE A 53 1.557 2.355 -15.646 1.00 0.00 O ATOM 826 CB ILE A 53 0.517 1.063 -12.856 1.00 0.00 C ATOM 827 CG1 ILE A 53 1.438 0.094 -12.128 1.00 0.00 C ATOM 828 CG2 ILE A 53 -0.121 0.356 -14.097 1.00 0.00 C ATOM 829 CD1 ILE A 53 2.542 -0.432 -13.056 1.00 0.00 C ATOM 0 H ILE A 53 -0.381 3.296 -14.202 1.00 0.00 H new ATOM 0 HA ILE A 53 2.022 2.630 -12.521 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.284 1.365 -12.181 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.889 0.593 -11.270 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.856 -0.743 -11.741 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.648 -0.541 -13.773 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.823 1.035 -14.581 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.663 0.081 -14.802 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.182 -1.121 -12.505 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.090 -0.952 -13.900 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.139 0.404 -13.422 1.00 0.00 H new ATOM 841 N GLU A 54 3.295 1.720 -14.416 1.00 0.00 N ATOM 842 CA GLU A 54 4.132 1.479 -15.614 1.00 0.00 C ATOM 843 C GLU A 54 4.029 0.018 -16.036 1.00 0.00 C ATOM 844 O GLU A 54 4.595 -0.854 -15.408 1.00 0.00 O ATOM 845 CB GLU A 54 5.593 1.798 -15.261 1.00 0.00 C ATOM 846 CG GLU A 54 6.109 2.882 -16.207 1.00 0.00 C ATOM 847 CD GLU A 54 6.368 2.267 -17.584 1.00 0.00 C ATOM 848 OE1 GLU A 54 5.981 1.122 -17.745 1.00 0.00 O ATOM 849 OE2 GLU A 54 6.938 2.977 -18.396 1.00 0.00 O ATOM 0 H GLU A 54 3.751 1.544 -13.521 1.00 0.00 H new ATOM 0 HA GLU A 54 3.790 2.112 -16.433 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.665 2.135 -14.227 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.206 0.901 -15.347 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.380 3.689 -16.287 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.026 3.319 -15.812 1.00 0.00 H new ATOM 856 N ARG A 55 3.304 -0.219 -17.088 1.00 0.00 N ATOM 857 CA ARG A 55 3.146 -1.611 -17.570 1.00 0.00 C ATOM 858 C ARG A 55 4.492 -2.283 -17.818 1.00 0.00 C ATOM 859 O ARG A 55 4.589 -3.491 -17.806 1.00 0.00 O ATOM 860 CB ARG A 55 2.377 -1.574 -18.896 1.00 0.00 C ATOM 861 CG ARG A 55 3.346 -1.213 -20.023 1.00 0.00 C ATOM 862 CD ARG A 55 2.552 -0.895 -21.290 1.00 0.00 C ATOM 863 NE ARG A 55 3.502 -0.739 -22.427 1.00 0.00 N ATOM 864 CZ ARG A 55 3.073 -0.258 -23.559 1.00 0.00 C ATOM 865 NH1 ARG A 55 2.239 -0.967 -24.269 1.00 0.00 N ATOM 866 NH2 ARG A 55 3.494 0.915 -23.947 1.00 0.00 N ATOM 0 H ARG A 55 2.815 0.491 -17.634 1.00 0.00 H new ATOM 0 HA ARG A 55 2.615 -2.180 -16.806 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.916 -2.542 -19.091 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.571 -0.842 -18.844 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.953 -0.354 -19.735 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.031 -2.040 -20.208 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.841 -1.694 -21.500 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.974 0.019 -21.153 1.00 0.00 H new ATOM 0 HE ARG A 55 4.480 -1.007 -22.320 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.934 -1.881 -23.935 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.892 -0.607 -25.158 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.149 1.440 -23.367 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.169 1.307 -24.831 1.00 0.00 H new ATOM 880 N GLU A 56 5.509 -1.493 -18.033 1.00 0.00 N ATOM 881 CA GLU A 56 6.849 -2.088 -18.284 1.00 0.00 C ATOM 882 C GLU A 56 7.655 -2.267 -16.998 1.00 0.00 C ATOM 883 O GLU A 56 7.942 -3.376 -16.595 1.00 0.00 O ATOM 884 CB GLU A 56 7.623 -1.146 -19.219 1.00 0.00 C ATOM 885 CG GLU A 56 7.021 -1.231 -20.624 1.00 0.00 C ATOM 886 CD GLU A 56 8.064 -0.781 -21.650 1.00 0.00 C ATOM 887 OE1 GLU A 56 9.147 -1.341 -21.603 1.00 0.00 O ATOM 888 OE2 GLU A 56 7.717 0.095 -22.425 1.00 0.00 O ATOM 0 H GLU A 56 5.470 -0.474 -18.045 1.00 0.00 H new ATOM 0 HA GLU A 56 6.706 -3.074 -18.726 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.571 -0.122 -18.849 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.677 -1.423 -19.244 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.704 -2.252 -20.835 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.134 -0.601 -20.690 1.00 0.00 H new ATOM 895 N THR A 57 8.006 -1.177 -16.374 1.00 0.00 N ATOM 896 CA THR A 57 8.795 -1.280 -15.117 1.00 0.00 C ATOM 897 C THR A 57 7.913 -1.611 -13.917 1.00 0.00 C ATOM 898 O THR A 57 8.403 -1.781 -12.817 1.00 0.00 O ATOM 899 CB THR A 57 9.481 0.063 -14.869 1.00 0.00 C ATOM 900 OG1 THR A 57 8.451 0.942 -14.465 1.00 0.00 O ATOM 901 CG2 THR A 57 10.004 0.658 -16.186 1.00 0.00 C ATOM 0 H THR A 57 7.783 -0.229 -16.677 1.00 0.00 H new ATOM 0 HA THR A 57 9.521 -2.085 -15.231 1.00 0.00 H new ATOM 0 HB THR A 57 10.295 -0.064 -14.156 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.743 1.869 -14.594 1.00 0.00 H new ATOM 0 HG21 THR A 57 10.489 1.614 -15.986 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.724 -0.027 -16.634 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.171 0.810 -16.873 1.00 0.00 H new ATOM 909 N GLY A 58 6.636 -1.700 -14.143 1.00 0.00 N ATOM 910 CA GLY A 58 5.718 -2.023 -13.011 1.00 0.00 C ATOM 911 C GLY A 58 5.796 -0.945 -11.922 1.00 0.00 C ATOM 912 O GLY A 58 5.372 -1.158 -10.804 1.00 0.00 O ATOM 0 H GLY A 58 6.188 -1.566 -15.049 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.695 -2.102 -13.378 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.981 -2.993 -12.589 1.00 0.00 H new ATOM 916 N TRP A 59 6.339 0.189 -12.272 1.00 0.00 N ATOM 917 CA TRP A 59 6.451 1.284 -11.274 1.00 0.00 C ATOM 918 C TRP A 59 5.075 1.876 -10.974 1.00 0.00 C ATOM 919 O TRP A 59 4.425 2.401 -11.856 1.00 0.00 O ATOM 920 CB TRP A 59 7.336 2.393 -11.875 1.00 0.00 C ATOM 921 CG TRP A 59 8.735 2.331 -11.262 1.00 0.00 C ATOM 922 CD1 TRP A 59 9.838 2.062 -11.944 1.00 0.00 C ATOM 923 CD2 TRP A 59 9.003 2.557 -10.005 1.00 0.00 C ATOM 924 NE1 TRP A 59 10.812 2.136 -11.016 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.357 2.450 -9.748 1.00 0.00 C ATOM 926 CE3 TRP A 59 8.130 2.872 -8.986 1.00 0.00 C ATOM 927 CZ2 TRP A 59 10.835 2.659 -8.472 1.00 0.00 C ATOM 928 CZ3 TRP A 59 8.609 3.081 -7.708 1.00 0.00 C ATOM 929 CH2 TRP A 59 9.962 2.975 -7.452 1.00 0.00 C ATOM 0 H TRP A 59 6.707 0.402 -13.199 1.00 0.00 H new ATOM 0 HA TRP A 59 6.879 0.890 -10.352 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.398 2.275 -12.957 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.889 3.369 -11.686 1.00 0.00 H new ATOM 0 HD1 TRP A 59 9.934 1.837 -12.996 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.796 1.975 -11.229 1.00 0.00 H new ATOM 0 HE3 TRP A 59 7.072 2.955 -9.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 11.893 2.575 -8.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 7.926 3.327 -6.909 1.00 0.00 H new ATOM 0 HH2 TRP A 59 10.337 3.140 -6.453 1.00 0.00 H new ATOM 940 N LEU A 60 4.653 1.784 -9.736 1.00 0.00 N ATOM 941 CA LEU A 60 3.319 2.344 -9.384 1.00 0.00 C ATOM 942 C LEU A 60 3.443 3.774 -8.889 1.00 0.00 C ATOM 943 O LEU A 60 4.012 4.028 -7.837 1.00 0.00 O ATOM 944 CB LEU A 60 2.684 1.486 -8.265 1.00 0.00 C ATOM 945 CG LEU A 60 1.161 1.349 -8.513 1.00 0.00 C ATOM 946 CD1 LEU A 60 0.477 0.857 -7.237 1.00 0.00 C ATOM 947 CD2 LEU A 60 0.562 2.710 -8.888 1.00 0.00 C ATOM 0 H LEU A 60 5.167 1.352 -8.968 1.00 0.00 H new ATOM 0 HA LEU A 60 2.696 2.332 -10.278 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.149 0.500 -8.241 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.864 1.947 -7.294 1.00 0.00 H new ATOM 0 HG LEU A 60 1.004 0.640 -9.326 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.594 0.761 -7.412 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.887 -0.113 -6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.650 1.572 -6.433 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.509 2.601 -9.060 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.729 3.417 -8.076 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.039 3.080 -9.795 1.00 0.00 H new ATOM 959 N LYS A 61 2.906 4.681 -9.669 1.00 0.00 N ATOM 960 CA LYS A 61 2.956 6.118 -9.297 1.00 0.00 C ATOM 961 C LYS A 61 1.541 6.644 -9.111 1.00 0.00 C ATOM 962 O LYS A 61 0.603 6.080 -9.639 1.00 0.00 O ATOM 963 CB LYS A 61 3.634 6.900 -10.444 1.00 0.00 C ATOM 964 CG LYS A 61 4.351 5.915 -11.369 1.00 0.00 C ATOM 965 CD LYS A 61 5.004 6.686 -12.520 1.00 0.00 C ATOM 966 CE LYS A 61 5.644 5.691 -13.491 1.00 0.00 C ATOM 967 NZ LYS A 61 4.731 5.416 -14.635 1.00 0.00 N ATOM 0 H LYS A 61 2.434 4.480 -10.551 1.00 0.00 H new ATOM 0 HA LYS A 61 3.515 6.241 -8.370 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.890 7.467 -11.003 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.345 7.620 -10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.107 5.360 -10.813 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.643 5.185 -11.761 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.259 7.290 -13.038 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.758 7.372 -12.133 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.589 6.091 -13.860 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.873 4.762 -12.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.476 4.408 -14.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.869 5.990 -14.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.209 5.658 -15.526 1.00 0.00 H new ATOM 981 N VAL A 62 1.410 7.707 -8.358 1.00 0.00 N ATOM 982 CA VAL A 62 0.049 8.285 -8.125 1.00 0.00 C ATOM 983 C VAL A 62 0.014 9.765 -8.454 1.00 0.00 C ATOM 984 O VAL A 62 1.000 10.462 -8.314 1.00 0.00 O ATOM 985 CB VAL A 62 -0.311 8.104 -6.644 1.00 0.00 C ATOM 986 CG1 VAL A 62 0.902 8.448 -5.784 1.00 0.00 C ATOM 987 CG2 VAL A 62 -1.461 9.048 -6.285 1.00 0.00 C ATOM 0 H VAL A 62 2.178 8.196 -7.898 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.662 7.770 -8.771 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.610 7.071 -6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.650 8.320 -4.731 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.730 7.787 -6.041 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.194 9.483 -5.964 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.720 8.923 -5.234 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.155 10.079 -6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.329 8.816 -6.903 1.00 0.00 H new ATOM 997 N THR A 63 -1.131 10.218 -8.891 1.00 0.00 N ATOM 998 CA THR A 63 -1.271 11.649 -9.238 1.00 0.00 C ATOM 999 C THR A 63 -1.889 12.423 -8.081 1.00 0.00 C ATOM 1000 O THR A 63 -1.554 13.570 -7.857 1.00 0.00 O ATOM 1001 CB THR A 63 -2.196 11.764 -10.454 1.00 0.00 C ATOM 1002 OG1 THR A 63 -3.470 11.355 -9.995 1.00 0.00 O ATOM 1003 CG2 THR A 63 -1.824 10.733 -11.527 1.00 0.00 C ATOM 0 H THR A 63 -1.971 9.654 -9.020 1.00 0.00 H new ATOM 0 HA THR A 63 -0.286 12.063 -9.454 1.00 0.00 H new ATOM 0 HB THR A 63 -2.143 12.773 -10.862 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.413 10.443 -9.640 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.496 10.836 -12.379 1.00 0.00 H new ATOM 0 HG22 THR A 63 -0.797 10.901 -11.852 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.914 9.729 -11.113 1.00 0.00 H new ATOM 1011 N GLN A 64 -2.785 11.772 -7.362 1.00 0.00 N ATOM 1012 CA GLN A 64 -3.444 12.462 -6.203 1.00 0.00 C ATOM 1013 C GLN A 64 -2.985 11.864 -4.851 1.00 0.00 C ATOM 1014 O GLN A 64 -2.944 10.661 -4.691 1.00 0.00 O ATOM 1015 CB GLN A 64 -4.963 12.248 -6.331 1.00 0.00 C ATOM 1016 CG GLN A 64 -5.432 12.761 -7.697 1.00 0.00 C ATOM 1017 CD GLN A 64 -6.959 12.876 -7.701 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -7.648 12.139 -8.532 1.00 0.00 O flip ATOM 1019 NE2 GLN A 64 -7.540 13.635 -6.949 1.00 0.00 N flip ATOM 0 H GLN A 64 -3.082 10.810 -7.526 1.00 0.00 H new ATOM 0 HA GLN A 64 -3.175 13.518 -6.223 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.203 11.190 -6.225 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.485 12.775 -5.533 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.983 13.732 -7.907 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.106 12.082 -8.484 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.009 14.213 -6.298 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.558 13.693 -6.970 1.00 0.00 H new ATOM 1028 N PRO A 65 -2.644 12.731 -3.890 1.00 0.00 N ATOM 1029 CA PRO A 65 -2.196 12.273 -2.569 1.00 0.00 C ATOM 1030 C PRO A 65 -3.323 11.556 -1.837 1.00 0.00 C ATOM 1031 O PRO A 65 -4.481 11.765 -2.141 1.00 0.00 O ATOM 1032 CB PRO A 65 -1.845 13.564 -1.801 1.00 0.00 C ATOM 1033 CG PRO A 65 -2.282 14.765 -2.687 1.00 0.00 C ATOM 1034 CD PRO A 65 -2.678 14.196 -4.060 1.00 0.00 C ATOM 0 HA PRO A 65 -1.359 11.579 -2.650 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.357 13.590 -0.839 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.776 13.609 -1.594 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -3.120 15.293 -2.233 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.469 15.484 -2.788 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.670 14.536 -4.357 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.985 14.520 -4.836 1.00 0.00 H new ATOM 1042 N LEU A 66 -2.979 10.720 -0.882 1.00 0.00 N ATOM 1043 CA LEU A 66 -4.057 10.005 -0.147 1.00 0.00 C ATOM 1044 C LEU A 66 -4.497 10.814 1.056 1.00 0.00 C ATOM 1045 O LEU A 66 -3.789 11.690 1.509 1.00 0.00 O ATOM 1046 CB LEU A 66 -3.528 8.646 0.332 1.00 0.00 C ATOM 1047 CG LEU A 66 -2.997 7.837 -0.863 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -3.170 6.347 -0.568 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -3.780 8.183 -2.135 1.00 0.00 C ATOM 0 H LEU A 66 -2.024 10.510 -0.591 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.907 9.864 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.734 8.793 1.064 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.323 8.093 0.832 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.945 8.079 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.796 5.764 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.611 6.087 0.331 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.226 6.127 -0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.391 7.602 -2.971 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.834 7.948 -1.989 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.672 9.246 -2.351 1.00 0.00 H new ATOM 1061 N ASP A 67 -5.660 10.510 1.555 1.00 0.00 N ATOM 1062 CA ASP A 67 -6.157 11.263 2.735 1.00 0.00 C ATOM 1063 C ASP A 67 -7.034 10.392 3.623 1.00 0.00 C ATOM 1064 O ASP A 67 -8.119 10.008 3.242 1.00 0.00 O ATOM 1065 CB ASP A 67 -6.990 12.451 2.234 1.00 0.00 C ATOM 1066 CG ASP A 67 -7.335 13.360 3.414 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -7.119 12.909 4.527 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -7.796 14.455 3.137 1.00 0.00 O ATOM 0 H ASP A 67 -6.281 9.782 1.202 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.301 11.596 3.322 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.433 13.009 1.481 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.902 12.094 1.756 1.00 0.00 H new ATOM 1073 N ARG A 68 -6.549 10.106 4.798 1.00 0.00 N ATOM 1074 CA ARG A 68 -7.337 9.263 5.726 1.00 0.00 C ATOM 1075 C ARG A 68 -8.704 9.886 5.994 1.00 0.00 C ATOM 1076 O ARG A 68 -9.660 9.194 6.283 1.00 0.00 O ATOM 1077 CB ARG A 68 -6.567 9.162 7.053 1.00 0.00 C ATOM 1078 CG ARG A 68 -6.426 7.689 7.443 1.00 0.00 C ATOM 1079 CD ARG A 68 -5.697 7.595 8.786 1.00 0.00 C ATOM 1080 NE ARG A 68 -6.288 6.483 9.583 1.00 0.00 N ATOM 1081 CZ ARG A 68 -5.551 5.446 9.883 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -5.216 4.617 8.932 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -5.176 5.274 11.121 1.00 0.00 N ATOM 0 H ARG A 68 -5.645 10.420 5.151 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.485 8.279 5.281 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -5.583 9.619 6.952 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.094 9.709 7.835 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.409 7.223 7.515 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.872 7.148 6.676 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.633 7.419 8.625 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.786 8.536 9.329 1.00 0.00 H new ATOM 0 HE ARG A 68 -7.259 6.531 9.892 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.529 4.785 7.976 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -4.641 3.802 9.145 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -5.458 5.943 11.837 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -4.601 4.470 11.373 1.00 0.00 H new ATOM 1097 N GLU A 69 -8.771 11.187 5.892 1.00 0.00 N ATOM 1098 CA GLU A 69 -10.064 11.870 6.138 1.00 0.00 C ATOM 1099 C GLU A 69 -11.126 11.389 5.156 1.00 0.00 C ATOM 1100 O GLU A 69 -12.305 11.430 5.447 1.00 0.00 O ATOM 1101 CB GLU A 69 -9.859 13.383 5.949 1.00 0.00 C ATOM 1102 CG GLU A 69 -8.909 13.897 7.032 1.00 0.00 C ATOM 1103 CD GLU A 69 -9.348 15.298 7.466 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -10.283 15.356 8.247 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -8.723 16.232 6.990 1.00 0.00 O ATOM 0 H GLU A 69 -7.991 11.798 5.651 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.399 11.645 7.151 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.448 13.586 4.960 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.815 13.903 6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.914 13.221 7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.887 13.925 6.653 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.681 10.940 4.005 1.00 0.00 N ATOM 1113 CA ALA A 70 -11.642 10.446 2.979 1.00 0.00 C ATOM 1114 C ALA A 70 -11.560 8.933 2.863 1.00 0.00 C ATOM 1115 O ALA A 70 -12.564 8.248 2.877 1.00 0.00 O ATOM 1116 CB ALA A 70 -11.262 11.066 1.625 1.00 0.00 C ATOM 0 H ALA A 70 -9.698 10.896 3.737 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.656 10.725 3.267 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.954 10.717 0.858 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.315 12.152 1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.247 10.769 1.361 1.00 0.00 H new ATOM 1122 N ILE A 71 -10.360 8.439 2.749 1.00 0.00 N ATOM 1123 CA ILE A 71 -10.177 6.976 2.631 1.00 0.00 C ATOM 1124 C ILE A 71 -8.897 6.544 3.338 1.00 0.00 C ATOM 1125 O ILE A 71 -7.868 7.176 3.199 1.00 0.00 O ATOM 1126 CB ILE A 71 -10.071 6.622 1.149 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.364 6.995 0.441 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -9.863 5.104 1.019 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -11.298 6.516 -1.011 1.00 0.00 C ATOM 0 H ILE A 71 -9.501 8.989 2.733 1.00 0.00 H new ATOM 0 HA ILE A 71 -11.023 6.465 3.091 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.237 7.164 0.703 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.215 6.540 0.948 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.513 8.074 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.786 4.836 -0.035 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.947 4.817 1.535 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.709 4.581 1.465 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.223 6.781 -1.524 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.456 6.992 -1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.169 5.434 -1.032 1.00 0.00 H new ATOM 1141 N ALA A 72 -8.985 5.475 4.085 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.783 4.986 4.811 1.00 0.00 C ATOM 1143 C ALA A 72 -7.086 3.876 4.033 1.00 0.00 C ATOM 1144 O ALA A 72 -5.972 3.503 4.346 1.00 0.00 O ATOM 1145 CB ALA A 72 -8.236 4.429 6.170 1.00 0.00 C ATOM 0 H ALA A 72 -9.833 4.924 4.222 1.00 0.00 H new ATOM 0 HA ALA A 72 -7.083 5.812 4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.369 4.064 6.721 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.724 5.218 6.742 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.937 3.609 6.012 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.749 3.367 3.033 1.00 0.00 N ATOM 1152 CA LYS A 73 -7.133 2.283 2.232 1.00 0.00 C ATOM 1153 C LYS A 73 -7.779 2.185 0.856 1.00 0.00 C ATOM 1154 O LYS A 73 -8.989 2.143 0.739 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.344 0.957 2.976 1.00 0.00 C ATOM 1156 CG LYS A 73 -6.666 -0.170 2.197 1.00 0.00 C ATOM 1157 CD LYS A 73 -7.612 -1.368 2.122 1.00 0.00 C ATOM 1158 CE LYS A 73 -7.903 -1.866 3.539 1.00 0.00 C ATOM 1159 NZ LYS A 73 -6.658 -1.858 4.359 1.00 0.00 N ATOM 0 H LYS A 73 -8.683 3.654 2.740 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.072 2.496 2.100 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.929 1.021 3.982 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.409 0.752 3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.409 0.169 1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.735 -0.457 2.685 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.540 -1.084 1.625 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.164 -2.165 1.528 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -8.658 -1.233 4.006 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.313 -2.875 3.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.743 -2.555 5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.845 -2.102 3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.516 -0.911 4.765 1.00 0.00 H new ATOM 1173 N TYR A 74 -6.955 2.149 -0.162 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.489 2.055 -1.545 1.00 0.00 C ATOM 1175 C TYR A 74 -7.344 0.632 -2.080 1.00 0.00 C ATOM 1176 O TYR A 74 -6.327 -0.010 -1.869 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.686 3.014 -2.445 1.00 0.00 C ATOM 1178 CG TYR A 74 -6.878 4.464 -1.959 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.456 4.851 -0.699 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.473 5.406 -2.779 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -6.629 6.152 -0.270 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -7.644 6.709 -2.344 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.221 7.090 -1.085 1.00 0.00 C ATOM 1184 OH TYR A 74 -7.379 8.394 -0.651 1.00 0.00 O ATOM 0 H TYR A 74 -5.938 2.181 -0.090 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.546 2.322 -1.541 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.629 2.750 -2.423 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.016 2.920 -3.479 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.988 4.130 -0.046 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.807 5.123 -3.766 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.296 6.437 0.717 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.112 7.434 -2.994 1.00 0.00 H new ATOM 0 HH TYR A 74 -7.814 8.922 -1.353 1.00 0.00 H new ATOM 1194 N ILE A 75 -8.368 0.168 -2.768 1.00 0.00 N ATOM 1195 CA ILE A 75 -8.323 -1.214 -3.332 1.00 0.00 C ATOM 1196 C ILE A 75 -8.295 -1.177 -4.852 1.00 0.00 C ATOM 1197 O ILE A 75 -9.262 -0.798 -5.483 1.00 0.00 O ATOM 1198 CB ILE A 75 -9.581 -1.953 -2.879 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -9.560 -2.116 -1.365 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -9.592 -3.352 -3.529 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -10.849 -2.801 -0.912 1.00 0.00 C ATOM 0 H ILE A 75 -9.225 0.688 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.422 -1.717 -2.981 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.465 -1.388 -3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.695 -2.707 -1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.464 -1.142 -0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.485 -3.892 -3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.593 -3.249 -4.614 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.705 -3.905 -3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -10.837 -2.919 0.172 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.706 -2.192 -1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.925 -3.781 -1.383 1.00 0.00 H new ATOM 1213 N LEU A 76 -7.179 -1.578 -5.413 1.00 0.00 N ATOM 1214 CA LEU A 76 -7.047 -1.579 -6.896 1.00 0.00 C ATOM 1215 C LEU A 76 -6.999 -3.002 -7.448 1.00 0.00 C ATOM 1216 O LEU A 76 -6.730 -3.938 -6.727 1.00 0.00 O ATOM 1217 CB LEU A 76 -5.716 -0.892 -7.253 1.00 0.00 C ATOM 1218 CG LEU A 76 -5.888 0.627 -7.209 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -6.864 1.052 -8.311 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -6.432 1.043 -5.834 1.00 0.00 C ATOM 0 H LEU A 76 -6.357 -1.904 -4.904 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.906 -1.063 -7.325 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.939 -1.199 -6.554 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.392 -1.202 -8.246 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.926 1.114 -7.370 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.992 2.134 -8.286 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.468 0.756 -9.282 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.828 0.569 -8.150 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.554 2.126 -5.803 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.396 0.564 -5.664 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.732 0.735 -5.057 1.00 0.00 H new ATOM 1232 N TYR A 77 -7.277 -3.124 -8.724 1.00 0.00 N ATOM 1233 CA TYR A 77 -7.258 -4.465 -9.380 1.00 0.00 C ATOM 1234 C TYR A 77 -6.215 -4.445 -10.485 1.00 0.00 C ATOM 1235 O TYR A 77 -5.953 -3.404 -11.048 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.640 -4.747 -9.994 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.594 -5.240 -8.902 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -10.009 -4.391 -7.898 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -10.059 -6.540 -8.913 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -10.878 -4.834 -6.920 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -10.927 -6.983 -7.936 1.00 0.00 C ATOM 1242 CZ TYR A 77 -11.343 -6.133 -6.932 1.00 0.00 C ATOM 1243 OH TYR A 77 -12.215 -6.575 -5.956 1.00 0.00 O ATOM 0 H TYR A 77 -7.517 -2.347 -9.340 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.019 -5.239 -8.650 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.036 -3.843 -10.456 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.554 -5.496 -10.781 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.652 -3.372 -7.876 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.741 -7.216 -9.693 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.196 -4.158 -6.140 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -11.283 -8.002 -7.957 1.00 0.00 H new ATOM 0 HH TYR A 77 -11.776 -7.263 -5.413 1.00 0.00 H new ATOM 1253 N SER A 78 -5.623 -5.583 -10.781 1.00 0.00 N ATOM 1254 CA SER A 78 -4.592 -5.587 -11.863 1.00 0.00 C ATOM 1255 C SER A 78 -4.648 -6.832 -12.748 1.00 0.00 C ATOM 1256 O SER A 78 -5.137 -7.879 -12.358 1.00 0.00 O ATOM 1257 CB SER A 78 -3.207 -5.526 -11.198 1.00 0.00 C ATOM 1258 OG SER A 78 -2.971 -6.851 -10.754 1.00 0.00 O ATOM 0 H SER A 78 -5.804 -6.481 -10.333 1.00 0.00 H new ATOM 0 HA SER A 78 -4.786 -4.728 -12.505 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.442 -5.201 -11.903 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.196 -4.820 -10.367 1.00 0.00 H new ATOM 0 HG SER A 78 -2.096 -6.898 -10.315 1.00 0.00 H new ATOM 1264 N HIS A 79 -4.127 -6.661 -13.938 1.00 0.00 N ATOM 1265 CA HIS A 79 -4.089 -7.760 -14.935 1.00 0.00 C ATOM 1266 C HIS A 79 -2.705 -7.754 -15.594 1.00 0.00 C ATOM 1267 O HIS A 79 -2.091 -6.709 -15.686 1.00 0.00 O ATOM 1268 CB HIS A 79 -5.158 -7.482 -16.008 1.00 0.00 C ATOM 1269 CG HIS A 79 -6.427 -6.956 -15.334 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -7.542 -7.516 -15.377 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -6.616 -5.818 -14.570 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -8.415 -6.867 -14.729 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.918 -5.760 -14.174 1.00 0.00 N ATOM 0 H HIS A 79 -3.719 -5.784 -14.261 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.280 -8.723 -14.461 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.786 -6.753 -16.728 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -5.378 -8.394 -16.563 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.727 -8.388 -15.873 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.854 -5.092 -14.327 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -9.446 -7.175 -14.636 1.00 0.00 H new ATOM 1281 N ALA A 80 -2.231 -8.901 -16.042 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.872 -8.923 -16.691 1.00 0.00 C ATOM 1283 C ALA A 80 -0.843 -9.679 -18.023 1.00 0.00 C ATOM 1284 O ALA A 80 -1.577 -10.630 -18.236 1.00 0.00 O ATOM 1285 CB ALA A 80 0.103 -9.608 -15.724 1.00 0.00 C ATOM 0 H ALA A 80 -2.711 -9.799 -15.989 1.00 0.00 H new ATOM 0 HA ALA A 80 -0.595 -7.891 -16.905 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.097 -9.638 -16.170 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.141 -9.049 -14.789 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.236 -10.625 -15.525 1.00 0.00 H new ATOM 1291 N VAL A 81 0.041 -9.235 -18.894 1.00 0.00 N ATOM 1292 CA VAL A 81 0.167 -9.894 -20.232 1.00 0.00 C ATOM 1293 C VAL A 81 1.634 -10.036 -20.621 1.00 0.00 C ATOM 1294 O VAL A 81 2.414 -9.136 -20.427 1.00 0.00 O ATOM 1295 CB VAL A 81 -0.531 -9.014 -21.284 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -1.687 -9.789 -21.917 1.00 0.00 C ATOM 1297 CG2 VAL A 81 -1.083 -7.761 -20.605 1.00 0.00 C ATOM 0 H VAL A 81 0.674 -8.451 -18.734 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.290 -10.882 -20.184 1.00 0.00 H new ATOM 0 HB VAL A 81 0.186 -8.734 -22.056 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.180 -9.164 -22.662 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.302 -10.689 -22.396 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.404 -10.067 -21.145 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.579 -7.134 -21.346 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.800 -8.050 -19.836 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.265 -7.205 -20.148 1.00 0.00 H new ATOM 1307 N SER A 82 1.977 -11.156 -21.184 1.00 0.00 N ATOM 1308 CA SER A 82 3.395 -11.362 -21.587 1.00 0.00 C ATOM 1309 C SER A 82 3.746 -10.517 -22.801 1.00 0.00 C ATOM 1310 O SER A 82 3.060 -10.547 -23.803 1.00 0.00 O ATOM 1311 CB SER A 82 3.596 -12.841 -21.952 1.00 0.00 C ATOM 1312 OG SER A 82 2.993 -12.969 -23.230 1.00 0.00 O ATOM 0 H SER A 82 1.346 -11.932 -21.382 1.00 0.00 H new ATOM 0 HA SER A 82 4.037 -11.071 -20.756 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.653 -13.104 -21.982 1.00 0.00 H new ATOM 0 HB3 SER A 82 3.125 -13.499 -21.222 1.00 0.00 H new ATOM 0 HG SER A 82 2.095 -12.578 -23.208 1.00 0.00 H new ATOM 1318 N SER A 83 4.816 -9.778 -22.694 1.00 0.00 N ATOM 1319 CA SER A 83 5.225 -8.927 -23.834 1.00 0.00 C ATOM 1320 C SER A 83 5.565 -9.784 -25.046 1.00 0.00 C ATOM 1321 O SER A 83 6.075 -9.289 -26.032 1.00 0.00 O ATOM 1322 CB SER A 83 6.473 -8.132 -23.423 1.00 0.00 C ATOM 1323 OG SER A 83 6.303 -6.871 -24.053 1.00 0.00 O ATOM 0 H SER A 83 5.417 -9.730 -21.871 1.00 0.00 H new ATOM 0 HA SER A 83 4.405 -8.258 -24.095 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.542 -8.030 -22.340 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.387 -8.624 -23.756 1.00 0.00 H new ATOM 0 HG SER A 83 6.199 -6.176 -23.370 1.00 0.00 H new ATOM 1329 N ASN A 84 5.272 -11.063 -24.950 1.00 0.00 N ATOM 1330 CA ASN A 84 5.569 -11.976 -26.089 1.00 0.00 C ATOM 1331 C ASN A 84 4.305 -12.272 -26.887 1.00 0.00 C ATOM 1332 O ASN A 84 4.362 -12.890 -27.933 1.00 0.00 O ATOM 1333 CB ASN A 84 6.137 -13.298 -25.529 1.00 0.00 C ATOM 1334 CG ASN A 84 5.061 -14.029 -24.719 1.00 0.00 C ATOM 1335 OD1 ASN A 84 3.930 -14.159 -25.140 1.00 0.00 O ATOM 1336 ND2 ASN A 84 5.375 -14.530 -23.556 1.00 0.00 N ATOM 0 H ASN A 84 4.844 -11.505 -24.137 1.00 0.00 H new ATOM 0 HA ASN A 84 6.292 -11.497 -26.749 1.00 0.00 H new ATOM 0 HB2 ASN A 84 6.481 -13.931 -26.347 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.002 -13.094 -24.899 1.00 0.00 H new ATOM 0 HD21 ASN A 84 4.672 -15.026 -23.008 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.323 -14.425 -23.195 1.00 0.00 H new ATOM 1343 N GLY A 85 3.182 -11.824 -26.372 1.00 0.00 N ATOM 1344 CA GLY A 85 1.887 -12.063 -27.084 1.00 0.00 C ATOM 1345 C GLY A 85 1.026 -13.087 -26.335 1.00 0.00 C ATOM 1346 O GLY A 85 -0.044 -13.444 -26.792 1.00 0.00 O ATOM 0 H GLY A 85 3.108 -11.307 -25.496 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.341 -11.124 -27.178 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.085 -12.419 -28.095 1.00 0.00 H new ATOM 1350 N GLU A 86 1.506 -13.535 -25.198 1.00 0.00 N ATOM 1351 CA GLU A 86 0.727 -14.535 -24.409 1.00 0.00 C ATOM 1352 C GLU A 86 0.078 -13.889 -23.198 1.00 0.00 C ATOM 1353 O GLU A 86 0.740 -13.273 -22.391 1.00 0.00 O ATOM 1354 CB GLU A 86 1.688 -15.632 -23.920 1.00 0.00 C ATOM 1355 CG GLU A 86 2.282 -16.361 -25.126 1.00 0.00 C ATOM 1356 CD GLU A 86 1.412 -17.573 -25.460 1.00 0.00 C ATOM 1357 OE1 GLU A 86 0.208 -17.432 -25.315 1.00 0.00 O ATOM 1358 OE2 GLU A 86 1.998 -18.573 -25.839 1.00 0.00 O ATOM 0 H GLU A 86 2.396 -13.253 -24.788 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.054 -14.950 -25.047 1.00 0.00 H new ATOM 0 HB2 GLU A 86 2.484 -15.192 -23.319 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.157 -16.337 -23.280 1.00 0.00 H new ATOM 0 HG2 GLU A 86 2.334 -15.689 -25.983 1.00 0.00 H new ATOM 0 HG3 GLU A 86 3.301 -16.679 -24.908 1.00 0.00 H new ATOM 1365 N ALA A 87 -1.212 -14.034 -23.096 1.00 0.00 N ATOM 1366 CA ALA A 87 -1.920 -13.436 -21.945 1.00 0.00 C ATOM 1367 C ALA A 87 -1.594 -14.184 -20.660 1.00 0.00 C ATOM 1368 O ALA A 87 -1.647 -15.397 -20.619 1.00 0.00 O ATOM 1369 CB ALA A 87 -3.434 -13.527 -22.201 1.00 0.00 C ATOM 0 H ALA A 87 -1.800 -14.539 -23.759 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.604 -12.399 -21.835 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.972 -13.090 -21.360 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -3.682 -12.984 -23.113 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.722 -14.572 -22.312 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.256 -13.444 -19.634 1.00 0.00 N ATOM 1376 CA VAL A 88 -0.922 -14.086 -18.336 1.00 0.00 C ATOM 1377 C VAL A 88 -1.559 -13.306 -17.210 1.00 0.00 C ATOM 1378 O VAL A 88 -1.070 -13.284 -16.099 1.00 0.00 O ATOM 1379 CB VAL A 88 0.607 -14.074 -18.153 1.00 0.00 C ATOM 1380 CG1 VAL A 88 1.268 -14.670 -19.394 1.00 0.00 C ATOM 1381 CG2 VAL A 88 1.086 -12.632 -17.970 1.00 0.00 C ATOM 0 H VAL A 88 -1.198 -12.426 -19.643 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.293 -15.111 -18.326 1.00 0.00 H new ATOM 0 HB VAL A 88 0.874 -14.662 -17.275 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.351 -14.663 -19.268 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.925 -15.695 -19.532 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.001 -14.077 -20.269 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.168 -12.622 -17.840 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.820 -12.046 -18.850 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.611 -12.200 -17.089 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.653 -12.674 -17.526 1.00 0.00 N ATOM 1392 CA GLU A 89 -3.362 -11.877 -16.507 1.00 0.00 C ATOM 1393 C GLU A 89 -4.201 -12.750 -15.593 1.00 0.00 C ATOM 1394 O GLU A 89 -4.671 -13.801 -15.978 1.00 0.00 O ATOM 1395 CB GLU A 89 -4.305 -10.888 -17.221 1.00 0.00 C ATOM 1396 CG GLU A 89 -4.978 -11.588 -18.414 1.00 0.00 C ATOM 1397 CD GLU A 89 -6.498 -11.519 -18.252 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -6.999 -12.335 -17.497 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -7.071 -10.654 -18.894 1.00 0.00 O ATOM 0 H GLU A 89 -3.083 -12.679 -18.451 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.615 -11.359 -15.905 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.061 -10.524 -16.526 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.744 -10.019 -17.565 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -4.679 -11.110 -19.347 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.654 -12.627 -18.470 1.00 0.00 H new ATOM 1406 N ASP A 90 -4.369 -12.283 -14.393 1.00 0.00 N ATOM 1407 CA ASP A 90 -5.168 -13.036 -13.406 1.00 0.00 C ATOM 1408 C ASP A 90 -5.782 -12.055 -12.412 1.00 0.00 C ATOM 1409 O ASP A 90 -5.223 -11.010 -12.149 1.00 0.00 O ATOM 1410 CB ASP A 90 -4.236 -13.998 -12.654 1.00 0.00 C ATOM 1411 CG ASP A 90 -3.971 -15.228 -13.523 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -4.928 -15.680 -14.131 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -2.825 -15.647 -13.532 1.00 0.00 O ATOM 0 H ASP A 90 -3.982 -11.403 -14.054 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.959 -13.595 -13.907 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.297 -13.499 -12.414 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.689 -14.297 -11.709 1.00 0.00 H new ATOM 1418 N PRO A 91 -6.924 -12.404 -11.869 1.00 0.00 N ATOM 1419 CA PRO A 91 -7.587 -11.537 -10.910 1.00 0.00 C ATOM 1420 C PRO A 91 -6.664 -11.215 -9.735 1.00 0.00 C ATOM 1421 O PRO A 91 -6.608 -11.944 -8.763 1.00 0.00 O ATOM 1422 CB PRO A 91 -8.823 -12.340 -10.432 1.00 0.00 C ATOM 1423 CG PRO A 91 -8.800 -13.708 -11.185 1.00 0.00 C ATOM 1424 CD PRO A 91 -7.603 -13.676 -12.151 1.00 0.00 C ATOM 0 HA PRO A 91 -7.865 -10.580 -11.352 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -8.789 -12.493 -9.353 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.743 -11.797 -10.648 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -8.703 -14.534 -10.480 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.731 -13.862 -11.731 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.938 -14.524 -11.985 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.931 -13.727 -13.189 1.00 0.00 H new ATOM 1432 N MET A 92 -5.944 -10.123 -9.863 1.00 0.00 N ATOM 1433 CA MET A 92 -5.011 -9.714 -8.778 1.00 0.00 C ATOM 1434 C MET A 92 -5.467 -8.411 -8.145 1.00 0.00 C ATOM 1435 O MET A 92 -5.502 -7.385 -8.790 1.00 0.00 O ATOM 1436 CB MET A 92 -3.620 -9.506 -9.397 1.00 0.00 C ATOM 1437 CG MET A 92 -2.999 -10.871 -9.704 1.00 0.00 C ATOM 1438 SD MET A 92 -2.412 -11.853 -8.303 1.00 0.00 S ATOM 1439 CE MET A 92 -0.672 -11.936 -8.796 1.00 0.00 C ATOM 0 H MET A 92 -5.967 -9.503 -10.673 1.00 0.00 H new ATOM 0 HA MET A 92 -4.987 -10.486 -8.009 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.699 -8.915 -10.310 1.00 0.00 H new ATOM 0 HB3 MET A 92 -2.983 -8.949 -8.711 1.00 0.00 H new ATOM 0 HG2 MET A 92 -3.738 -11.463 -10.244 1.00 0.00 H new ATOM 0 HG3 MET A 92 -2.159 -10.714 -10.381 1.00 0.00 H new ATOM 0 HE1 MET A 92 -0.111 -12.509 -8.057 1.00 0.00 H new ATOM 0 HE2 MET A 92 -0.592 -12.421 -9.769 1.00 0.00 H new ATOM 0 HE3 MET A 92 -0.263 -10.928 -8.859 1.00 0.00 H new ATOM 1449 N GLU A 93 -5.804 -8.476 -6.886 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.263 -7.252 -6.188 1.00 0.00 C ATOM 1451 C GLU A 93 -5.128 -6.600 -5.410 1.00 0.00 C ATOM 1452 O GLU A 93 -4.582 -7.182 -4.493 1.00 0.00 O ATOM 1453 CB GLU A 93 -7.367 -7.649 -5.202 1.00 0.00 C ATOM 1454 CG GLU A 93 -8.469 -8.391 -5.959 1.00 0.00 C ATOM 1455 CD GLU A 93 -9.665 -8.604 -5.028 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -10.291 -7.605 -4.715 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -9.885 -9.754 -4.683 1.00 0.00 O ATOM 0 H GLU A 93 -5.780 -9.322 -6.316 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.626 -6.540 -6.929 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.959 -8.283 -4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -7.775 -6.762 -4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.773 -7.819 -6.836 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.097 -9.351 -6.318 1.00 0.00 H new ATOM 1464 N ILE A 94 -4.797 -5.399 -5.790 1.00 0.00 N ATOM 1465 CA ILE A 94 -3.706 -4.685 -5.091 1.00 0.00 C ATOM 1466 C ILE A 94 -4.264 -3.898 -3.911 1.00 0.00 C ATOM 1467 O ILE A 94 -5.154 -3.082 -4.075 1.00 0.00 O ATOM 1468 CB ILE A 94 -3.070 -3.703 -6.073 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -2.227 -4.459 -7.088 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -2.155 -2.749 -5.292 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.640 -3.463 -8.091 1.00 0.00 C ATOM 0 H ILE A 94 -5.237 -4.885 -6.554 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.974 -5.406 -4.727 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.854 -3.149 -6.590 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.427 -5.001 -6.584 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.836 -5.200 -7.606 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.694 -2.042 -5.981 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -2.743 -2.205 -4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.378 -3.322 -4.787 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.034 -3.998 -8.822 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.449 -2.942 -8.602 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.018 -2.740 -7.564 1.00 0.00 H new ATOM 1483 N VAL A 95 -3.731 -4.157 -2.743 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.219 -3.433 -1.535 1.00 0.00 C ATOM 1485 C VAL A 95 -3.254 -2.325 -1.134 1.00 0.00 C ATOM 1486 O VAL A 95 -2.095 -2.583 -0.869 1.00 0.00 O ATOM 1487 CB VAL A 95 -4.312 -4.440 -0.381 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -5.374 -3.970 0.616 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -4.712 -5.807 -0.938 1.00 0.00 C ATOM 0 H VAL A 95 -2.985 -4.833 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.189 -2.987 -1.756 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.347 -4.515 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.443 -4.683 1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.098 -2.991 1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.339 -3.901 0.114 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -4.780 -6.527 -0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -5.679 -5.729 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.962 -6.141 -1.655 1.00 0.00 H new ATOM 1499 N ILE A 96 -3.754 -1.108 -1.096 1.00 0.00 N ATOM 1500 CA ILE A 96 -2.883 0.040 -0.713 1.00 0.00 C ATOM 1501 C ILE A 96 -3.390 0.698 0.567 1.00 0.00 C ATOM 1502 O ILE A 96 -4.444 1.302 0.580 1.00 0.00 O ATOM 1503 CB ILE A 96 -2.925 1.071 -1.842 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.574 0.408 -3.164 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -1.882 2.162 -1.549 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -2.752 1.423 -4.295 1.00 0.00 C ATOM 0 H ILE A 96 -4.721 -0.868 -1.313 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.868 -0.321 -0.545 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.925 1.499 -1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.546 0.046 -3.142 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.214 -0.458 -3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.900 2.906 -2.346 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.115 2.643 -0.599 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.891 1.712 -1.494 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.502 0.955 -5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.787 1.763 -4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.094 2.275 -4.126 1.00 0.00 H new ATOM 1518 N THR A 97 -2.629 0.568 1.623 1.00 0.00 N ATOM 1519 CA THR A 97 -3.057 1.183 2.907 1.00 0.00 C ATOM 1520 C THR A 97 -2.529 2.605 3.021 1.00 0.00 C ATOM 1521 O THR A 97 -1.471 2.918 2.511 1.00 0.00 O ATOM 1522 CB THR A 97 -2.488 0.347 4.060 1.00 0.00 C ATOM 1523 OG1 THR A 97 -2.971 0.958 5.240 1.00 0.00 O ATOM 1524 CG2 THR A 97 -0.963 0.498 4.143 1.00 0.00 C ATOM 0 H THR A 97 -1.740 0.068 1.649 1.00 0.00 H new ATOM 0 HA THR A 97 -4.146 1.209 2.947 1.00 0.00 H new ATOM 0 HB THR A 97 -2.761 -0.700 3.927 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.642 0.466 6.021 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.582 -0.104 4.968 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.513 0.161 3.210 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.710 1.545 4.310 1.00 0.00 H new ATOM 1532 N VAL A 98 -3.273 3.443 3.689 1.00 0.00 N ATOM 1533 CA VAL A 98 -2.825 4.847 3.844 1.00 0.00 C ATOM 1534 C VAL A 98 -2.023 5.030 5.128 1.00 0.00 C ATOM 1535 O VAL A 98 -2.244 4.342 6.106 1.00 0.00 O ATOM 1536 CB VAL A 98 -4.067 5.747 3.907 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -3.619 7.201 3.993 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -4.899 5.550 2.641 1.00 0.00 C ATOM 0 H VAL A 98 -4.164 3.215 4.130 1.00 0.00 H new ATOM 0 HA VAL A 98 -2.189 5.109 2.998 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.667 5.490 4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.494 7.849 4.038 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -3.015 7.343 4.889 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.027 7.452 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.782 6.188 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.302 5.814 1.768 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -5.208 4.507 2.567 1.00 0.00 H new ATOM 1548 N THR A 99 -1.104 5.960 5.099 1.00 0.00 N ATOM 1549 CA THR A 99 -0.273 6.210 6.303 1.00 0.00 C ATOM 1550 C THR A 99 0.029 7.698 6.447 1.00 0.00 C ATOM 1551 O THR A 99 0.313 8.372 5.476 1.00 0.00 O ATOM 1552 CB THR A 99 1.048 5.450 6.144 1.00 0.00 C ATOM 1553 OG1 THR A 99 1.017 4.924 4.833 1.00 0.00 O ATOM 1554 CG2 THR A 99 1.083 4.212 7.053 1.00 0.00 C ATOM 0 H THR A 99 -0.897 6.552 4.295 1.00 0.00 H new ATOM 0 HA THR A 99 -0.813 5.874 7.188 1.00 0.00 H new ATOM 0 HB THR A 99 1.884 6.112 6.370 1.00 0.00 H new ATOM 0 HG1 THR A 99 1.841 4.422 4.662 1.00 0.00 H new ATOM 0 HG21 THR A 99 2.031 3.690 6.921 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.981 4.521 8.093 1.00 0.00 H new ATOM 0 HG23 THR A 99 0.262 3.545 6.791 1.00 0.00 H new