USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 864 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 34 THR OG1 : rot -73:sc= 0.094 USER MOD Set 1.2: A 38 CYS SG : rot -149:sc= 2.18 USER MOD Set 1.3: A 41 CYS SG : rot 170:sc= -1.06! USER MOD Set 2.1: A 27 LYS NZ :NH3+ 179:sc= 0.471 (180deg=0) USER MOD Set 2.2: A 59 THR OG1 : rot -140:sc= 0.433 USER MOD Set 3.1: A 9 CYS SG : rot -1:sc= -0.515 USER MOD Set 3.2: A 14 THR OG1 : rot 103:sc= 1.12 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0755 X(o=-0.075,f=0) USER MOD Single : A 11 THR OG1 : rot 137:sc= 0.679 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -1 K(o=-1,f=-1.8!) USER MOD Single : A 21 LYS NZ :NH3+ 166:sc= -0.0122 (180deg=-0.181) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0235) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.735 K(o=-0.74,f=-0.03) USER MOD Single : A 62 LYS NZ :NH3+ -126:sc= -0.0152 (180deg=-0.739) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 164:sc= 0 (180deg=-0.174) USER MOD Single : A 82 THR OG1 : rot 58:sc= 0.702 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 170:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 90:sc= 0.545 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.0615 X(o=-0.061,f=-0.0012) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 3 -9.441 7.347 11.550 1.00 0.00 N ATOM 29 CA GLU A 3 -8.082 7.109 11.033 1.00 0.00 C ATOM 30 C GLU A 3 -8.104 6.082 9.876 1.00 0.00 C ATOM 31 O GLU A 3 -9.022 5.257 9.750 1.00 0.00 O ATOM 32 CB GLU A 3 -6.914 6.876 12.070 1.00 0.00 C ATOM 33 CG GLU A 3 -7.100 5.668 13.010 1.00 0.00 C ATOM 34 CD GLU A 3 -5.915 5.436 13.978 1.00 0.00 C ATOM 35 OE1 GLU A 3 -5.630 6.229 14.857 1.00 0.00 O ATOM 36 OE2 GLU A 3 -5.236 4.267 13.785 1.00 0.00 O ATOM 0 HA GLU A 3 -7.787 8.083 10.644 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.982 6.747 11.520 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.804 7.775 12.677 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.010 5.811 13.593 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.245 4.771 12.408 1.00 0.00 H new ATOM 44 N GLY A 4 -6.970 6.142 9.117 1.00 0.00 N ATOM 45 CA GLY A 4 -6.441 5.039 8.304 1.00 0.00 C ATOM 46 C GLY A 4 -5.941 3.789 9.134 1.00 0.00 C ATOM 47 O GLY A 4 -5.723 3.850 10.338 1.00 0.00 O ATOM 0 H GLY A 4 -6.396 6.984 9.062 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.216 4.712 7.611 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.613 5.414 7.702 1.00 0.00 H new ATOM 51 N GLN A 5 -5.725 2.652 8.457 1.00 0.00 N ATOM 52 CA GLN A 5 -5.572 1.327 9.102 1.00 0.00 C ATOM 53 C GLN A 5 -4.701 0.444 8.207 1.00 0.00 C ATOM 54 O GLN A 5 -5.038 0.060 7.069 1.00 0.00 O ATOM 55 CB GLN A 5 -7.021 0.766 9.377 1.00 0.00 C ATOM 56 CG GLN A 5 -7.871 0.190 8.199 1.00 0.00 C ATOM 57 CD GLN A 5 -9.296 -0.077 8.673 1.00 0.00 C ATOM 58 OE1 GLN A 5 -9.534 -0.999 9.387 1.00 0.00 O ATOM 59 NE2 GLN A 5 -10.322 0.694 8.339 1.00 0.00 N ATOM 0 H GLN A 5 -5.650 2.619 7.440 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.059 1.371 10.063 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.928 -0.021 10.125 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.599 1.570 9.832 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.881 0.894 7.367 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.421 -0.732 7.831 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.178 1.499 7.729 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.255 0.482 8.692 1.00 0.00 H new ATOM 68 N VAL A 6 -3.580 0.075 8.767 1.00 0.00 N ATOM 69 CA VAL A 6 -2.593 -0.842 8.255 1.00 0.00 C ATOM 70 C VAL A 6 -3.097 -2.328 8.663 1.00 0.00 C ATOM 71 O VAL A 6 -3.156 -2.699 9.848 1.00 0.00 O ATOM 72 CB VAL A 6 -1.212 -0.454 8.856 1.00 0.00 C ATOM 73 CG1 VAL A 6 -0.201 -1.566 8.567 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.705 0.829 8.222 1.00 0.00 C ATOM 0 H VAL A 6 -3.308 0.443 9.679 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.476 -0.808 7.172 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.327 -0.312 9.931 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.768 -1.296 8.988 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.545 -2.497 9.018 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.104 -1.699 7.489 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.262 1.090 8.651 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.598 0.686 7.147 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.415 1.634 8.412 1.00 0.00 H new ATOM 84 N ILE A 7 -3.347 -3.139 7.637 1.00 0.00 N ATOM 85 CA ILE A 7 -3.883 -4.495 7.597 1.00 0.00 C ATOM 86 C ILE A 7 -2.842 -5.426 6.809 1.00 0.00 C ATOM 87 O ILE A 7 -2.487 -5.241 5.650 1.00 0.00 O ATOM 88 CB ILE A 7 -5.390 -4.556 7.156 1.00 0.00 C ATOM 89 CG1 ILE A 7 -6.231 -5.743 7.750 1.00 0.00 C ATOM 90 CG2 ILE A 7 -5.722 -4.389 5.637 1.00 0.00 C ATOM 91 CD1 ILE A 7 -5.831 -7.227 7.398 1.00 0.00 C ATOM 0 H ILE A 7 -3.151 -2.815 6.690 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.961 -4.913 8.601 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.711 -3.629 7.631 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -6.210 -5.647 8.836 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.265 -5.600 7.437 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.800 -4.454 5.491 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -5.367 -3.418 5.292 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -5.230 -5.178 5.068 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.517 -7.916 7.892 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -5.885 -7.372 6.319 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.814 -7.420 7.739 1.00 0.00 H new ATOM 103 N ALA A 8 -2.465 -6.533 7.474 1.00 0.00 N ATOM 104 CA ALA A 8 -1.763 -7.677 6.845 1.00 0.00 C ATOM 105 C ALA A 8 -2.431 -8.518 5.718 1.00 0.00 C ATOM 106 O ALA A 8 -3.638 -8.840 5.767 1.00 0.00 O ATOM 107 CB ALA A 8 -1.201 -8.546 8.009 1.00 0.00 C ATOM 0 H ALA A 8 -2.638 -6.664 8.471 1.00 0.00 H new ATOM 0 HA ALA A 8 -1.001 -7.218 6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.672 -9.406 7.598 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -0.513 -7.950 8.609 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -2.024 -8.891 8.635 1.00 0.00 H new ATOM 113 N CYS A 9 -1.633 -8.949 4.728 1.00 0.00 N ATOM 114 CA CYS A 9 -2.031 -9.592 3.434 1.00 0.00 C ATOM 115 C CYS A 9 -0.890 -10.570 2.984 1.00 0.00 C ATOM 116 O CYS A 9 0.310 -10.190 2.908 1.00 0.00 O ATOM 117 CB CYS A 9 -2.253 -8.613 2.283 1.00 0.00 C ATOM 118 SG CYS A 9 -3.682 -7.539 2.773 1.00 0.00 S ATOM 0 H CYS A 9 -0.620 -8.858 4.801 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.979 -10.092 3.632 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.360 -8.013 2.106 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.468 -9.146 1.357 1.00 0.00 H new ATOM 0 HG CYS A 9 -4.122 -7.908 3.939 1.00 0.00 H new ATOM 124 N HIS A 10 -1.405 -11.758 2.707 1.00 0.00 N ATOM 125 CA HIS A 10 -0.572 -12.973 2.558 1.00 0.00 C ATOM 126 C HIS A 10 -1.041 -14.002 1.451 1.00 0.00 C ATOM 127 O HIS A 10 -0.247 -14.855 1.102 1.00 0.00 O ATOM 128 CB HIS A 10 -0.511 -13.718 3.908 1.00 0.00 C ATOM 129 CG HIS A 10 0.443 -13.102 4.957 1.00 0.00 C ATOM 130 ND1 HIS A 10 -0.052 -12.389 6.024 1.00 0.00 N ATOM 131 CD2 HIS A 10 1.866 -13.105 4.922 1.00 0.00 C ATOM 132 CE1 HIS A 10 1.150 -11.912 6.549 1.00 0.00 C ATOM 133 NE2 HIS A 10 2.366 -12.324 5.951 1.00 0.00 N ATOM 0 H HIS A 10 -2.403 -11.922 2.577 1.00 0.00 H new ATOM 0 HA HIS A 10 0.400 -12.603 2.231 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -1.515 -13.754 4.330 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -0.206 -14.748 3.723 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.467 -13.638 4.200 1.00 0.00 H new ATOM 0 HE1 HIS A 10 1.153 -11.241 7.395 1.00 0.00 H new ATOM 0 HE2 HIS A 10 3.330 -12.108 6.204 1.00 0.00 H new ATOM 141 N THR A 11 -2.326 -13.922 0.954 1.00 0.00 N ATOM 142 CA THR A 11 -3.092 -14.975 0.245 1.00 0.00 C ATOM 143 C THR A 11 -4.041 -14.411 -0.830 1.00 0.00 C ATOM 144 O THR A 11 -4.102 -13.213 -1.094 1.00 0.00 O ATOM 145 CB THR A 11 -3.814 -15.845 1.332 1.00 0.00 C ATOM 146 OG1 THR A 11 -4.742 -15.057 2.079 1.00 0.00 O ATOM 147 CG2 THR A 11 -2.930 -16.565 2.310 1.00 0.00 C ATOM 0 H THR A 11 -2.871 -13.065 1.052 1.00 0.00 H new ATOM 0 HA THR A 11 -2.414 -15.607 -0.329 1.00 0.00 H new ATOM 0 HB THR A 11 -4.305 -16.617 0.740 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.572 -15.562 2.206 1.00 0.00 H new ATOM 0 HG21 THR A 11 -3.546 -17.131 3.009 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.272 -17.247 1.772 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.330 -15.840 2.860 1.00 0.00 H new ATOM 155 N VAL A 12 -4.880 -15.231 -1.509 1.00 0.00 N ATOM 156 CA VAL A 12 -6.118 -14.805 -2.305 1.00 0.00 C ATOM 157 C VAL A 12 -7.212 -13.889 -1.555 1.00 0.00 C ATOM 158 O VAL A 12 -7.858 -13.075 -2.191 1.00 0.00 O ATOM 159 CB VAL A 12 -6.742 -16.068 -3.037 1.00 0.00 C ATOM 160 CG1 VAL A 12 -7.323 -17.115 -2.139 1.00 0.00 C ATOM 161 CG2 VAL A 12 -7.705 -15.607 -4.141 1.00 0.00 C ATOM 0 H VAL A 12 -4.734 -16.240 -1.536 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.747 -14.093 -3.042 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.908 -16.599 -3.496 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.721 -17.931 -2.742 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.547 -17.498 -1.477 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.125 -16.679 -1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.130 -16.478 -4.640 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.506 -15.014 -3.700 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.163 -15.002 -4.867 1.00 0.00 H new ATOM 171 N ASP A 13 -7.253 -13.926 -0.213 1.00 0.00 N ATOM 172 CA ASP A 13 -7.860 -12.877 0.694 1.00 0.00 C ATOM 173 C ASP A 13 -7.564 -11.381 0.398 1.00 0.00 C ATOM 174 O ASP A 13 -8.523 -10.565 0.373 1.00 0.00 O ATOM 175 CB ASP A 13 -7.697 -13.233 2.171 1.00 0.00 C ATOM 176 CG ASP A 13 -8.161 -14.579 2.726 1.00 0.00 C ATOM 177 OD1 ASP A 13 -7.347 -15.415 2.992 1.00 0.00 O ATOM 178 OD2 ASP A 13 -9.549 -14.752 2.695 1.00 0.00 O ATOM 0 H ASP A 13 -6.856 -14.706 0.312 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.915 -12.933 0.427 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.636 -13.144 2.402 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.213 -12.461 2.741 1.00 0.00 H new ATOM 184 N THR A 14 -6.327 -10.986 0.084 1.00 0.00 N ATOM 185 CA THR A 14 -5.980 -9.702 -0.533 1.00 0.00 C ATOM 186 C THR A 14 -6.458 -9.387 -2.003 1.00 0.00 C ATOM 187 O THR A 14 -6.684 -8.228 -2.355 1.00 0.00 O ATOM 188 CB THR A 14 -4.491 -9.404 -0.397 1.00 0.00 C ATOM 189 OG1 THR A 14 -4.296 -8.018 -0.343 1.00 0.00 O ATOM 190 CG2 THR A 14 -3.578 -9.976 -1.563 1.00 0.00 C ATOM 0 H THR A 14 -5.511 -11.572 0.258 1.00 0.00 H new ATOM 0 HA THR A 14 -6.595 -9.026 0.061 1.00 0.00 H new ATOM 0 HB THR A 14 -4.185 -9.910 0.519 1.00 0.00 H new ATOM 0 HG1 THR A 14 -4.131 -7.747 0.584 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.538 -9.711 -1.374 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.675 -11.061 -1.602 1.00 0.00 H new ATOM 0 HG23 THR A 14 -3.894 -9.549 -2.515 1.00 0.00 H new ATOM 198 N TRP A 15 -6.647 -10.363 -2.850 1.00 0.00 N ATOM 199 CA TRP A 15 -7.435 -10.228 -4.111 1.00 0.00 C ATOM 200 C TRP A 15 -8.882 -9.732 -3.818 1.00 0.00 C ATOM 201 O TRP A 15 -9.231 -8.730 -4.450 1.00 0.00 O ATOM 202 CB TRP A 15 -7.435 -11.475 -5.037 1.00 0.00 C ATOM 203 CG TRP A 15 -6.276 -11.641 -6.030 1.00 0.00 C ATOM 204 CD1 TRP A 15 -5.024 -12.269 -5.731 1.00 0.00 C ATOM 205 CD2 TRP A 15 -6.222 -11.156 -7.300 1.00 0.00 C ATOM 206 NE1 TRP A 15 -4.249 -12.325 -6.810 1.00 0.00 N ATOM 207 CE2 TRP A 15 -4.934 -11.622 -7.794 1.00 0.00 C ATOM 208 CE3 TRP A 15 -7.104 -10.419 -8.132 1.00 0.00 C ATOM 209 CZ2 TRP A 15 -4.582 -11.267 -9.153 1.00 0.00 C ATOM 210 CZ3 TRP A 15 -6.735 -10.292 -9.467 1.00 0.00 C ATOM 211 CH2 TRP A 15 -5.543 -10.729 -10.004 1.00 0.00 C ATOM 0 H TRP A 15 -6.266 -11.299 -2.710 1.00 0.00 H new ATOM 0 HA TRP A 15 -6.905 -9.469 -4.687 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.459 -12.361 -4.402 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.364 -11.466 -5.608 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.746 -12.647 -4.758 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.343 -12.786 -6.897 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.013 -9.980 -7.749 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -3.573 -11.420 -9.507 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -7.437 -9.814 -10.135 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -5.358 -10.655 -11.066 1.00 0.00 H new ATOM 222 N LYS A 16 -9.598 -10.330 -2.865 1.00 0.00 N ATOM 223 CA LYS A 16 -10.847 -9.707 -2.292 1.00 0.00 C ATOM 224 C LYS A 16 -10.748 -8.266 -1.675 1.00 0.00 C ATOM 225 O LYS A 16 -11.362 -7.308 -2.172 1.00 0.00 O ATOM 226 CB LYS A 16 -11.718 -10.622 -1.405 1.00 0.00 C ATOM 227 CG LYS A 16 -11.870 -12.101 -1.887 1.00 0.00 C ATOM 228 CD LYS A 16 -12.623 -13.046 -0.945 1.00 0.00 C ATOM 229 CE LYS A 16 -11.864 -13.393 0.326 1.00 0.00 C ATOM 230 NZ LYS A 16 -12.651 -14.208 1.242 1.00 0.00 N ATOM 0 H LYS A 16 -9.359 -11.235 -2.461 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.372 -9.565 -3.237 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.295 -10.630 -0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.712 -10.182 -1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.382 -12.097 -2.849 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -10.874 -12.510 -2.058 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.574 -12.588 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.854 -13.967 -1.480 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.950 -13.926 0.065 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.565 -12.473 0.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.089 -14.417 2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.511 -13.691 1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -12.915 -15.099 0.775 1.00 0.00 H new ATOM 243 N GLU A 17 -9.886 -8.067 -0.684 1.00 0.00 N ATOM 244 CA GLU A 17 -9.590 -6.776 0.023 1.00 0.00 C ATOM 245 C GLU A 17 -9.161 -5.605 -0.917 1.00 0.00 C ATOM 246 O GLU A 17 -9.937 -4.649 -1.058 1.00 0.00 O ATOM 247 CB GLU A 17 -8.552 -6.905 1.184 1.00 0.00 C ATOM 248 CG GLU A 17 -9.182 -7.509 2.442 1.00 0.00 C ATOM 249 CD GLU A 17 -8.353 -7.679 3.665 1.00 0.00 C ATOM 250 OE1 GLU A 17 -8.679 -8.528 4.494 1.00 0.00 O ATOM 251 OE2 GLU A 17 -7.258 -6.818 3.768 1.00 0.00 O ATOM 0 H GLU A 17 -9.328 -8.836 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.559 -6.524 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.718 -7.528 0.859 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.143 -5.922 1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.037 -6.888 2.710 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.573 -8.490 2.173 1.00 0.00 H new ATOM 259 N HIS A 18 -7.992 -5.683 -1.613 1.00 0.00 N ATOM 260 CA HIS A 18 -7.457 -4.649 -2.591 1.00 0.00 C ATOM 261 C HIS A 18 -8.423 -4.147 -3.696 1.00 0.00 C ATOM 262 O HIS A 18 -8.612 -2.905 -3.813 1.00 0.00 O ATOM 263 CB HIS A 18 -6.125 -5.217 -3.189 1.00 0.00 C ATOM 264 CG HIS A 18 -5.272 -4.471 -4.226 1.00 0.00 C ATOM 265 ND1 HIS A 18 -5.591 -4.182 -5.562 1.00 0.00 N ATOM 266 CD2 HIS A 18 -3.983 -4.016 -3.957 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.491 -3.557 -6.001 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.434 -3.364 -5.121 1.00 0.00 N ATOM 0 H HIS A 18 -7.367 -6.483 -1.518 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.299 -3.735 -2.018 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.470 -5.418 -2.341 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.375 -6.180 -3.634 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -6.448 -4.395 -6.072 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.469 -4.134 -3.014 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.427 -3.209 -7.021 1.00 0.00 H new ATOM 276 N PHE A 19 -8.917 -5.146 -4.485 1.00 0.00 N ATOM 277 CA PHE A 19 -9.843 -4.905 -5.625 1.00 0.00 C ATOM 278 C PHE A 19 -11.184 -4.238 -5.241 1.00 0.00 C ATOM 279 O PHE A 19 -11.448 -3.083 -5.567 1.00 0.00 O ATOM 280 CB PHE A 19 -10.001 -6.109 -6.575 1.00 0.00 C ATOM 281 CG PHE A 19 -10.234 -5.697 -8.061 1.00 0.00 C ATOM 282 CD1 PHE A 19 -9.264 -4.946 -8.764 1.00 0.00 C ATOM 283 CD2 PHE A 19 -11.432 -5.969 -8.698 1.00 0.00 C ATOM 284 CE1 PHE A 19 -9.451 -4.473 -10.066 1.00 0.00 C ATOM 285 CE2 PHE A 19 -11.639 -5.558 -10.035 1.00 0.00 C ATOM 286 CZ PHE A 19 -10.630 -4.801 -10.713 1.00 0.00 C ATOM 0 H PHE A 19 -8.685 -6.130 -4.348 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.328 -4.147 -6.215 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.108 -6.731 -6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.839 -6.720 -6.239 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.330 -4.726 -8.269 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.213 -6.498 -8.171 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.699 -3.870 -10.552 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.556 -5.815 -10.544 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.790 -4.485 -11.733 1.00 0.00 H new ATOM 296 N GLU A 20 -11.977 -4.932 -4.418 1.00 0.00 N ATOM 297 CA GLU A 20 -13.250 -4.422 -3.843 1.00 0.00 C ATOM 298 C GLU A 20 -13.283 -3.030 -3.059 1.00 0.00 C ATOM 299 O GLU A 20 -14.084 -2.174 -3.510 1.00 0.00 O ATOM 300 CB GLU A 20 -13.995 -5.554 -3.088 1.00 0.00 C ATOM 301 CG GLU A 20 -14.348 -6.837 -3.902 1.00 0.00 C ATOM 302 CD GLU A 20 -15.521 -6.601 -4.873 1.00 0.00 C ATOM 303 OE1 GLU A 20 -15.346 -6.349 -6.069 1.00 0.00 O ATOM 304 OE2 GLU A 20 -16.766 -6.734 -4.273 1.00 0.00 O ATOM 0 H GLU A 20 -11.758 -5.883 -4.120 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.789 -4.116 -4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.384 -5.851 -2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.921 -5.141 -2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.472 -7.162 -4.464 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.603 -7.644 -3.215 1.00 0.00 H new ATOM 312 N LYS A 21 -12.385 -2.805 -2.085 1.00 0.00 N ATOM 313 CA LYS A 21 -12.193 -1.486 -1.454 1.00 0.00 C ATOM 314 C LYS A 21 -11.803 -0.327 -2.462 1.00 0.00 C ATOM 315 O LYS A 21 -12.523 0.649 -2.702 1.00 0.00 O ATOM 316 CB LYS A 21 -11.204 -1.577 -0.260 1.00 0.00 C ATOM 317 CG LYS A 21 -11.607 -2.447 0.964 1.00 0.00 C ATOM 318 CD LYS A 21 -12.733 -1.834 1.853 1.00 0.00 C ATOM 319 CE LYS A 21 -12.785 -2.302 3.332 1.00 0.00 C ATOM 320 NZ LYS A 21 -11.504 -1.943 4.058 1.00 0.00 N ATOM 0 H LYS A 21 -11.772 -3.530 -1.713 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.172 -1.198 -1.070 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.256 -1.957 -0.641 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.020 -0.564 0.098 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.935 -3.423 0.607 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.724 -2.613 1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.622 -0.750 1.843 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -13.693 -2.061 1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.634 -1.839 3.834 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -12.940 -3.380 3.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.646 -2.045 5.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.740 -2.578 3.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.246 -0.959 3.841 1.00 0.00 H new ATOM 333 N GLY A 22 -10.608 -0.562 -3.136 1.00 0.00 N ATOM 334 CA GLY A 22 -10.041 0.281 -4.171 1.00 0.00 C ATOM 335 C GLY A 22 -11.101 0.778 -5.189 1.00 0.00 C ATOM 336 O GLY A 22 -11.789 1.774 -4.955 1.00 0.00 O ATOM 0 H GLY A 22 -10.029 -1.378 -2.937 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.557 1.141 -3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.267 -0.273 -4.701 1.00 0.00 H new ATOM 340 N LYS A 23 -11.294 -0.051 -6.220 1.00 0.00 N ATOM 341 CA LYS A 23 -12.551 -0.052 -7.062 1.00 0.00 C ATOM 342 C LYS A 23 -13.787 -0.646 -6.275 1.00 0.00 C ATOM 343 O LYS A 23 -14.071 -1.858 -6.309 1.00 0.00 O ATOM 344 CB LYS A 23 -12.355 -0.856 -8.328 1.00 0.00 C ATOM 345 CG LYS A 23 -13.556 -0.702 -9.317 1.00 0.00 C ATOM 346 CD LYS A 23 -13.622 -1.822 -10.337 1.00 0.00 C ATOM 347 CE LYS A 23 -12.523 -1.798 -11.466 1.00 0.00 C ATOM 348 NZ LYS A 23 -12.661 -0.646 -12.366 1.00 0.00 N ATOM 0 H LYS A 23 -10.605 -0.744 -6.513 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.756 0.989 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.437 -0.536 -8.821 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.230 -1.908 -8.072 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.487 -0.677 -8.750 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.473 0.253 -9.837 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.550 -2.772 -9.808 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.603 -1.796 -10.812 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.535 -1.778 -11.006 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.585 -2.718 -12.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.914 -0.679 -13.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.592 -0.676 -12.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.575 0.234 -11.819 1.00 0.00 H new ATOM 361 N GLY A 24 -14.559 0.282 -5.744 1.00 0.00 N ATOM 362 CA GLY A 24 -15.960 0.003 -5.338 1.00 0.00 C ATOM 363 C GLY A 24 -16.614 0.932 -4.243 1.00 0.00 C ATOM 364 O GLY A 24 -17.741 1.322 -4.287 1.00 0.00 O ATOM 0 H GLY A 24 -14.258 1.242 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.582 0.051 -6.232 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.004 -1.024 -4.974 1.00 0.00 H new ATOM 368 N SER A 25 -15.691 1.267 -3.324 1.00 0.00 N ATOM 369 CA SER A 25 -15.876 2.164 -2.214 1.00 0.00 C ATOM 370 C SER A 25 -15.108 3.435 -2.760 1.00 0.00 C ATOM 371 O SER A 25 -13.952 3.483 -3.190 1.00 0.00 O ATOM 372 CB SER A 25 -15.231 1.628 -0.922 1.00 0.00 C ATOM 373 OG SER A 25 -15.819 0.387 -0.527 1.00 0.00 O ATOM 0 H SER A 25 -14.746 0.885 -3.356 1.00 0.00 H new ATOM 0 HA SER A 25 -16.916 2.333 -1.934 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.160 1.493 -1.076 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.349 2.360 -0.123 1.00 0.00 H new ATOM 0 HG SER A 25 -15.390 0.069 0.295 1.00 0.00 H new ATOM 379 N GLN A 26 -15.802 4.504 -2.561 1.00 0.00 N ATOM 380 CA GLN A 26 -15.224 5.896 -2.639 1.00 0.00 C ATOM 381 C GLN A 26 -14.197 6.233 -1.496 1.00 0.00 C ATOM 382 O GLN A 26 -14.512 6.908 -0.511 1.00 0.00 O ATOM 383 CB GLN A 26 -16.382 6.872 -2.928 1.00 0.00 C ATOM 384 CG GLN A 26 -17.112 6.896 -4.273 1.00 0.00 C ATOM 385 CD GLN A 26 -18.271 5.869 -4.423 1.00 0.00 C ATOM 386 OE1 GLN A 26 -19.275 6.047 -3.739 1.00 0.00 O ATOM 387 NE2 GLN A 26 -18.205 5.030 -5.403 1.00 0.00 N ATOM 0 H GLN A 26 -16.797 4.487 -2.335 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.539 6.003 -3.480 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -17.139 6.695 -2.164 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -15.993 7.877 -2.765 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.514 7.897 -4.431 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.385 6.716 -5.065 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.339 4.931 -5.932 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -19.019 4.467 -5.648 1.00 0.00 H new ATOM 396 N LYS A 27 -12.957 5.803 -1.791 1.00 0.00 N ATOM 397 CA LYS A 27 -11.692 5.929 -0.971 1.00 0.00 C ATOM 398 C LYS A 27 -10.432 5.624 -1.911 1.00 0.00 C ATOM 399 O LYS A 27 -10.556 5.078 -3.065 1.00 0.00 O ATOM 400 CB LYS A 27 -11.789 5.120 0.354 1.00 0.00 C ATOM 401 CG LYS A 27 -12.042 3.595 0.203 1.00 0.00 C ATOM 402 CD LYS A 27 -11.625 2.726 1.379 1.00 0.00 C ATOM 403 CE LYS A 27 -12.317 3.146 2.722 1.00 0.00 C ATOM 404 NZ LYS A 27 -11.930 2.218 3.716 1.00 0.00 N ATOM 0 H LYS A 27 -12.776 5.319 -2.670 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.548 6.949 -0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.863 5.261 0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.592 5.544 0.957 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.106 3.440 0.023 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.514 3.246 -0.685 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.868 1.686 1.160 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.543 2.782 1.500 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -12.020 4.156 3.005 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.401 3.153 2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.362 2.482 4.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.249 1.266 3.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.894 2.222 3.811 1.00 0.00 H new ATOM 417 N LEU A 28 -9.351 6.117 -1.317 1.00 0.00 N ATOM 418 CA LEU A 28 -7.968 5.814 -1.685 1.00 0.00 C ATOM 419 C LEU A 28 -7.516 4.654 -0.729 1.00 0.00 C ATOM 420 O LEU A 28 -7.908 4.420 0.421 1.00 0.00 O ATOM 421 CB LEU A 28 -7.249 7.183 -1.499 1.00 0.00 C ATOM 422 CG LEU A 28 -5.731 7.298 -1.918 1.00 0.00 C ATOM 423 CD1 LEU A 28 -5.441 7.390 -3.441 1.00 0.00 C ATOM 424 CD2 LEU A 28 -5.224 8.599 -1.215 1.00 0.00 C ATOM 0 H LEU A 28 -9.414 6.766 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.766 5.456 -2.695 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.807 7.930 -2.064 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.324 7.457 -0.447 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.226 6.379 -1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.366 7.465 -3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.821 6.498 -3.938 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.932 8.272 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.172 8.755 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.806 9.452 -1.564 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.340 8.498 -0.136 1.00 0.00 H new ATOM 436 N ILE A 29 -6.715 3.821 -1.351 1.00 0.00 N ATOM 437 CA ILE A 29 -6.084 2.645 -0.792 1.00 0.00 C ATOM 438 C ILE A 29 -4.628 2.646 -1.335 1.00 0.00 C ATOM 439 O ILE A 29 -4.333 2.841 -2.532 1.00 0.00 O ATOM 440 CB ILE A 29 -6.880 1.238 -0.901 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.709 0.622 -2.309 1.00 0.00 C ATOM 442 CG2 ILE A 29 -8.341 1.195 -0.410 1.00 0.00 C ATOM 443 CD1 ILE A 29 -6.916 -0.917 -2.203 1.00 0.00 C ATOM 0 H ILE A 29 -6.469 3.956 -2.332 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.097 2.719 0.295 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.390 0.611 -0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.431 1.054 -3.002 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.717 0.845 -2.702 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.741 0.190 -0.546 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.378 1.460 0.647 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.938 1.904 -0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.799 -1.369 -3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.177 -1.337 -1.521 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.917 -1.124 -1.826 1.00 0.00 H new ATOM 455 N VAL A 30 -3.706 2.206 -0.524 1.00 0.00 N ATOM 456 CA VAL A 30 -2.204 2.286 -0.664 1.00 0.00 C ATOM 457 C VAL A 30 -1.668 0.864 -0.228 1.00 0.00 C ATOM 458 O VAL A 30 -2.104 0.233 0.702 1.00 0.00 O ATOM 459 CB VAL A 30 -1.542 3.426 0.164 1.00 0.00 C ATOM 460 CG1 VAL A 30 0.037 3.670 0.026 1.00 0.00 C ATOM 461 CG2 VAL A 30 -2.107 4.857 -0.053 1.00 0.00 C ATOM 0 H VAL A 30 -3.967 1.733 0.341 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.941 2.537 -1.692 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.792 2.991 1.132 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.335 4.499 0.668 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.572 2.769 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.279 3.908 -1.010 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.565 5.562 0.578 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.988 5.141 -1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.165 4.874 0.209 1.00 0.00 H new ATOM 471 N VAL A 31 -0.644 0.390 -0.930 1.00 0.00 N ATOM 472 CA VAL A 31 -0.102 -0.987 -0.900 1.00 0.00 C ATOM 473 C VAL A 31 1.415 -1.070 -1.049 1.00 0.00 C ATOM 474 O VAL A 31 1.932 -0.923 -2.151 1.00 0.00 O ATOM 475 CB VAL A 31 -0.937 -2.037 -1.661 1.00 0.00 C ATOM 476 CG1 VAL A 31 -1.294 -1.601 -3.037 1.00 0.00 C ATOM 477 CG2 VAL A 31 -0.500 -3.497 -1.567 1.00 0.00 C ATOM 0 H VAL A 31 -0.130 0.985 -1.580 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.247 -1.316 0.129 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.859 -2.065 -1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.881 -2.379 -3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.879 -0.683 -2.987 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.384 -1.421 -3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.179 -4.118 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.512 -3.600 -1.958 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.521 -3.817 -0.525 1.00 0.00 H new ATOM 487 N ASP A 32 2.090 -1.368 0.063 1.00 0.00 N ATOM 488 CA ASP A 32 3.465 -2.087 0.059 1.00 0.00 C ATOM 489 C ASP A 32 3.401 -3.540 -0.487 1.00 0.00 C ATOM 490 O ASP A 32 2.436 -4.324 -0.346 1.00 0.00 O ATOM 491 CB ASP A 32 4.146 -2.021 1.504 1.00 0.00 C ATOM 492 CG ASP A 32 5.692 -1.945 1.576 1.00 0.00 C ATOM 493 OD1 ASP A 32 6.240 -2.202 2.633 1.00 0.00 O ATOM 494 OD2 ASP A 32 6.228 -1.490 0.375 1.00 0.00 O ATOM 0 H ASP A 32 1.749 -1.144 0.998 1.00 0.00 H new ATOM 0 HA ASP A 32 4.098 -1.543 -0.642 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.744 -1.151 2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.828 -2.901 2.064 1.00 0.00 H new ATOM 500 N PHE A 33 4.591 -3.842 -1.042 1.00 0.00 N ATOM 501 CA PHE A 33 4.960 -5.132 -1.843 1.00 0.00 C ATOM 502 C PHE A 33 6.350 -5.296 -1.288 1.00 0.00 C ATOM 503 O PHE A 33 7.199 -4.382 -1.640 1.00 0.00 O ATOM 504 CB PHE A 33 4.794 -4.874 -3.404 1.00 0.00 C ATOM 505 CG PHE A 33 3.314 -4.731 -3.898 1.00 0.00 C ATOM 506 CD1 PHE A 33 2.400 -5.746 -3.729 1.00 0.00 C ATOM 507 CD2 PHE A 33 2.862 -3.490 -4.245 1.00 0.00 C ATOM 508 CE1 PHE A 33 1.109 -5.661 -4.232 1.00 0.00 C ATOM 509 CE2 PHE A 33 1.565 -3.349 -4.770 1.00 0.00 C ATOM 510 CZ PHE A 33 0.675 -4.439 -4.758 1.00 0.00 C ATOM 0 H PHE A 33 5.383 -3.203 -0.970 1.00 0.00 H new ATOM 0 HA PHE A 33 4.360 -6.036 -1.740 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.338 -3.967 -3.667 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.264 -5.696 -3.945 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.696 -6.634 -3.190 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.495 -2.624 -4.117 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.454 -6.519 -4.218 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.251 -2.402 -5.183 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.327 -4.334 -5.148 1.00 0.00 H new ATOM 520 N THR A 34 6.617 -6.135 -0.331 1.00 0.00 N ATOM 521 CA THR A 34 7.808 -6.130 0.506 1.00 0.00 C ATOM 522 C THR A 34 7.936 -7.626 0.779 1.00 0.00 C ATOM 523 O THR A 34 6.933 -8.390 1.055 1.00 0.00 O ATOM 524 CB THR A 34 7.843 -5.306 1.854 1.00 0.00 C ATOM 525 OG1 THR A 34 9.100 -5.523 2.456 1.00 0.00 O ATOM 526 CG2 THR A 34 6.682 -5.579 2.793 1.00 0.00 C ATOM 0 H THR A 34 5.978 -6.892 -0.089 1.00 0.00 H new ATOM 0 HA THR A 34 8.613 -5.607 -0.011 1.00 0.00 H new ATOM 0 HB THR A 34 7.714 -4.250 1.616 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.131 -6.427 2.833 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.789 -4.970 3.691 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.745 -5.329 2.295 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.677 -6.634 3.068 1.00 0.00 H new ATOM 534 N ALA A 35 9.182 -8.114 0.766 1.00 0.00 N ATOM 535 CA ALA A 35 9.624 -9.402 1.227 1.00 0.00 C ATOM 536 C ALA A 35 9.734 -9.365 2.873 1.00 0.00 C ATOM 537 O ALA A 35 10.032 -8.352 3.494 1.00 0.00 O ATOM 538 CB ALA A 35 10.972 -9.551 0.485 1.00 0.00 C ATOM 0 H ALA A 35 9.957 -7.561 0.400 1.00 0.00 H new ATOM 0 HA ALA A 35 8.972 -10.251 1.024 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.428 -10.505 0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.801 -9.514 -0.591 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.638 -8.738 0.774 1.00 0.00 H new ATOM 544 N SER A 36 9.602 -10.552 3.454 1.00 0.00 N ATOM 545 CA SER A 36 9.854 -10.845 4.891 1.00 0.00 C ATOM 546 C SER A 36 11.287 -10.455 5.396 1.00 0.00 C ATOM 547 O SER A 36 11.545 -9.957 6.546 1.00 0.00 O ATOM 548 CB SER A 36 9.373 -12.336 5.231 1.00 0.00 C ATOM 549 OG SER A 36 8.673 -12.396 6.510 1.00 0.00 O ATOM 0 H SER A 36 9.307 -11.378 2.933 1.00 0.00 H new ATOM 0 HA SER A 36 9.238 -10.173 5.489 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.717 -12.697 4.439 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.237 -13.001 5.257 1.00 0.00 H new ATOM 0 HG SER A 36 8.392 -13.318 6.686 1.00 0.00 H new ATOM 555 N TRP A 37 12.248 -10.941 4.536 1.00 0.00 N ATOM 556 CA TRP A 37 13.621 -10.471 4.462 1.00 0.00 C ATOM 557 C TRP A 37 13.765 -8.959 3.929 1.00 0.00 C ATOM 558 O TRP A 37 13.755 -8.753 2.700 1.00 0.00 O ATOM 559 CB TRP A 37 14.473 -11.451 3.575 1.00 0.00 C ATOM 560 CG TRP A 37 14.017 -11.883 2.149 1.00 0.00 C ATOM 561 CD1 TRP A 37 13.070 -12.963 1.864 1.00 0.00 C ATOM 562 CD2 TRP A 37 14.321 -11.376 0.880 1.00 0.00 C ATOM 563 NE1 TRP A 37 12.675 -12.952 0.547 1.00 0.00 N ATOM 564 CE2 TRP A 37 13.523 -12.003 -0.077 1.00 0.00 C ATOM 565 CE3 TRP A 37 15.212 -10.362 0.519 1.00 0.00 C ATOM 566 CZ2 TRP A 37 13.652 -11.726 -1.480 1.00 0.00 C ATOM 567 CZ3 TRP A 37 15.368 -10.000 -0.802 1.00 0.00 C ATOM 568 CH2 TRP A 37 14.636 -10.686 -1.793 1.00 0.00 C ATOM 0 H TRP A 37 12.052 -11.689 3.871 1.00 0.00 H new ATOM 0 HA TRP A 37 14.001 -10.462 5.484 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.459 -10.999 3.466 1.00 0.00 H new ATOM 0 HB3 TRP A 37 14.603 -12.365 4.154 1.00 0.00 H new ATOM 0 HD1 TRP A 37 12.725 -13.678 2.596 1.00 0.00 H new ATOM 0 HE1 TRP A 37 11.935 -13.505 0.114 1.00 0.00 H new ATOM 0 HE3 TRP A 37 15.784 -9.857 1.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 13.076 -12.238 -2.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 16.042 -9.201 -1.074 1.00 0.00 H new ATOM 0 HH2 TRP A 37 14.808 -10.434 -2.829 1.00 0.00 H new ATOM 579 N CYS A 38 13.675 -7.934 4.822 1.00 0.00 N ATOM 580 CA CYS A 38 13.780 -6.479 4.471 1.00 0.00 C ATOM 581 C CYS A 38 13.936 -5.585 5.752 1.00 0.00 C ATOM 582 O CYS A 38 12.907 -5.157 6.243 1.00 0.00 O ATOM 583 CB CYS A 38 12.620 -6.102 3.545 1.00 0.00 C ATOM 584 SG CYS A 38 12.784 -4.286 3.083 1.00 0.00 S ATOM 0 H CYS A 38 13.526 -8.091 5.819 1.00 0.00 H new ATOM 0 HA CYS A 38 14.695 -6.285 3.911 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.634 -6.723 2.649 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.666 -6.281 4.042 1.00 0.00 H new ATOM 0 HG CYS A 38 11.602 -3.777 2.898 1.00 0.00 H new ATOM 590 N PRO A 39 15.176 -5.316 6.246 1.00 0.00 N ATOM 591 CA PRO A 39 15.436 -4.260 7.247 1.00 0.00 C ATOM 592 C PRO A 39 14.909 -2.731 7.049 1.00 0.00 C ATOM 593 O PRO A 39 14.427 -2.117 8.012 1.00 0.00 O ATOM 594 CB PRO A 39 17.016 -4.355 7.382 1.00 0.00 C ATOM 595 CG PRO A 39 17.448 -5.677 6.763 1.00 0.00 C ATOM 596 CD PRO A 39 16.397 -5.954 5.732 1.00 0.00 C ATOM 0 HA PRO A 39 14.825 -4.462 8.127 1.00 0.00 H new ATOM 0 HB2 PRO A 39 17.495 -3.518 6.874 1.00 0.00 H new ATOM 0 HB3 PRO A 39 17.315 -4.306 8.429 1.00 0.00 H new ATOM 0 HG2 PRO A 39 18.438 -5.603 6.314 1.00 0.00 H new ATOM 0 HG3 PRO A 39 17.495 -6.471 7.509 1.00 0.00 H new ATOM 0 HD2 PRO A 39 16.678 -5.543 4.763 1.00 0.00 H new ATOM 0 HD3 PRO A 39 16.253 -7.026 5.594 1.00 0.00 H new ATOM 604 N PRO A 40 14.991 -2.181 5.826 1.00 0.00 N ATOM 605 CA PRO A 40 14.274 -0.919 5.442 1.00 0.00 C ATOM 606 C PRO A 40 12.742 -0.856 5.684 1.00 0.00 C ATOM 607 O PRO A 40 12.273 -0.071 6.516 1.00 0.00 O ATOM 608 CB PRO A 40 14.666 -0.596 4.003 1.00 0.00 C ATOM 609 CG PRO A 40 16.057 -1.276 3.904 1.00 0.00 C ATOM 610 CD PRO A 40 15.897 -2.606 4.706 1.00 0.00 C ATOM 0 HA PRO A 40 14.605 -0.148 6.138 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.957 -1.004 3.283 1.00 0.00 H new ATOM 0 HB3 PRO A 40 14.720 0.478 3.823 1.00 0.00 H new ATOM 0 HG2 PRO A 40 16.333 -1.468 2.867 1.00 0.00 H new ATOM 0 HG3 PRO A 40 16.838 -0.647 4.330 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.456 -3.398 4.101 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.853 -2.980 5.073 1.00 0.00 H new ATOM 618 N CYS A 41 11.977 -1.859 5.120 1.00 0.00 N ATOM 619 CA CYS A 41 10.599 -2.124 5.574 1.00 0.00 C ATOM 620 C CYS A 41 10.331 -2.586 7.065 1.00 0.00 C ATOM 621 O CYS A 41 9.240 -2.365 7.588 1.00 0.00 O ATOM 622 CB CYS A 41 9.804 -2.920 4.588 1.00 0.00 C ATOM 623 SG CYS A 41 10.031 -2.262 2.915 1.00 0.00 S ATOM 0 H CYS A 41 12.300 -2.471 4.371 1.00 0.00 H new ATOM 0 HA CYS A 41 10.228 -1.100 5.615 1.00 0.00 H new ATOM 0 HB2 CYS A 41 10.114 -3.964 4.620 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.748 -2.893 4.856 1.00 0.00 H new ATOM 0 HG CYS A 41 9.513 -3.084 2.051 1.00 0.00 H new ATOM 629 N LYS A 42 11.270 -3.122 7.797 1.00 0.00 N ATOM 630 CA LYS A 42 11.249 -3.163 9.288 1.00 0.00 C ATOM 631 C LYS A 42 11.144 -1.780 10.041 1.00 0.00 C ATOM 632 O LYS A 42 10.447 -1.661 11.053 1.00 0.00 O ATOM 633 CB LYS A 42 12.414 -4.096 9.761 1.00 0.00 C ATOM 634 CG LYS A 42 12.063 -4.632 11.142 1.00 0.00 C ATOM 635 CD LYS A 42 12.871 -5.857 11.591 1.00 0.00 C ATOM 636 CE LYS A 42 12.281 -6.572 12.797 1.00 0.00 C ATOM 637 NZ LYS A 42 11.002 -7.305 12.463 1.00 0.00 N ATOM 0 H LYS A 42 12.099 -3.559 7.395 1.00 0.00 H new ATOM 0 HA LYS A 42 10.293 -3.589 9.593 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.552 -4.918 9.058 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.353 -3.544 9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.207 -3.835 11.871 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.004 -4.890 11.156 1.00 0.00 H new ATOM 0 HD2 LYS A 42 12.939 -6.560 10.761 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.888 -5.543 11.828 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.011 -7.280 13.189 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.085 -5.846 13.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.712 -7.885 13.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.254 -6.616 12.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 11.159 -7.919 11.639 1.00 0.00 H new ATOM 650 N MET A 43 11.839 -0.716 9.570 1.00 0.00 N ATOM 651 CA MET A 43 11.429 0.713 9.825 1.00 0.00 C ATOM 652 C MET A 43 10.100 1.229 9.155 1.00 0.00 C ATOM 653 O MET A 43 9.251 1.800 9.833 1.00 0.00 O ATOM 654 CB MET A 43 12.649 1.706 9.782 1.00 0.00 C ATOM 655 CG MET A 43 13.363 1.780 8.443 1.00 0.00 C ATOM 656 SD MET A 43 14.527 3.142 8.496 1.00 0.00 S ATOM 657 CE MET A 43 15.286 3.044 6.868 1.00 0.00 C ATOM 0 H MET A 43 12.687 -0.806 9.011 1.00 0.00 H new ATOM 0 HA MET A 43 11.090 0.694 10.861 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.297 2.703 10.046 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.368 1.409 10.545 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.883 0.844 8.239 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.644 1.927 7.637 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.030 3.834 6.765 1.00 0.00 H new ATOM 0 HE2 MET A 43 15.768 2.074 6.749 1.00 0.00 H new ATOM 0 HE3 MET A 43 14.520 3.165 6.102 1.00 0.00 H new ATOM 667 N ILE A 44 9.925 1.096 7.826 1.00 0.00 N ATOM 668 CA ILE A 44 8.633 1.417 7.158 1.00 0.00 C ATOM 669 C ILE A 44 7.276 0.870 7.676 1.00 0.00 C ATOM 670 O ILE A 44 6.279 1.549 7.522 1.00 0.00 O ATOM 671 CB ILE A 44 8.757 1.341 5.590 1.00 0.00 C ATOM 672 CG1 ILE A 44 8.514 2.740 5.000 1.00 0.00 C ATOM 673 CG2 ILE A 44 7.910 0.275 4.852 1.00 0.00 C ATOM 674 CD1 ILE A 44 9.541 3.827 5.283 1.00 0.00 C ATOM 0 H ILE A 44 10.653 0.771 7.190 1.00 0.00 H new ATOM 0 HA ILE A 44 8.514 2.441 7.513 1.00 0.00 H new ATOM 0 HB ILE A 44 9.774 0.991 5.414 1.00 0.00 H new ATOM 0 HG12 ILE A 44 8.429 2.635 3.918 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.548 3.092 5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 44 8.097 0.340 3.780 1.00 0.00 H new ATOM 0 HG22 ILE A 44 8.183 -0.718 5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.852 0.452 5.047 1.00 0.00 H new ATOM 0 HD11 ILE A 44 9.231 4.754 4.801 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.617 3.985 6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.511 3.521 4.892 1.00 0.00 H new ATOM 686 N ALA A 45 7.277 -0.344 8.272 1.00 0.00 N ATOM 687 CA ALA A 45 6.122 -0.951 8.976 1.00 0.00 C ATOM 688 C ALA A 45 5.508 -0.029 10.118 1.00 0.00 C ATOM 689 O ALA A 45 4.349 0.371 9.979 1.00 0.00 O ATOM 690 CB ALA A 45 6.519 -2.430 9.294 1.00 0.00 C ATOM 0 H ALA A 45 8.101 -0.945 8.277 1.00 0.00 H new ATOM 0 HA ALA A 45 5.226 -1.011 8.358 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.698 -2.923 9.815 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.728 -2.959 8.364 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.408 -2.441 9.925 1.00 0.00 H new ATOM 696 N PRO A 46 6.290 0.384 11.171 1.00 0.00 N ATOM 697 CA PRO A 46 5.937 1.545 12.006 1.00 0.00 C ATOM 698 C PRO A 46 5.655 2.979 11.389 1.00 0.00 C ATOM 699 O PRO A 46 4.745 3.605 11.895 1.00 0.00 O ATOM 700 CB PRO A 46 7.154 1.616 12.917 1.00 0.00 C ATOM 701 CG PRO A 46 7.701 0.241 13.093 1.00 0.00 C ATOM 702 CD PRO A 46 7.495 -0.328 11.668 1.00 0.00 C ATOM 0 HA PRO A 46 4.945 1.358 12.417 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.911 2.271 12.486 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.879 2.039 13.883 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.750 0.247 13.390 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.159 -0.327 13.849 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.361 -0.139 11.033 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.342 -1.407 11.687 1.00 0.00 H new ATOM 710 N ILE A 47 6.418 3.418 10.369 1.00 0.00 N ATOM 711 CA ILE A 47 6.074 4.646 9.533 1.00 0.00 C ATOM 712 C ILE A 47 4.698 4.563 8.925 1.00 0.00 C ATOM 713 O ILE A 47 3.854 5.463 9.076 1.00 0.00 O ATOM 714 CB ILE A 47 7.262 5.015 8.586 1.00 0.00 C ATOM 715 CG1 ILE A 47 8.616 5.254 9.304 1.00 0.00 C ATOM 716 CG2 ILE A 47 6.905 6.120 7.588 1.00 0.00 C ATOM 717 CD1 ILE A 47 8.604 6.462 10.314 1.00 0.00 C ATOM 0 H ILE A 47 7.283 2.959 10.083 1.00 0.00 H new ATOM 0 HA ILE A 47 5.973 5.519 10.178 1.00 0.00 H new ATOM 0 HB ILE A 47 7.431 4.113 7.998 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.895 4.348 9.842 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.387 5.429 8.554 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.768 6.334 6.958 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.073 5.793 6.965 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.620 7.022 8.130 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.587 6.562 10.774 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.358 7.380 9.780 1.00 0.00 H new ATOM 0 HD13 ILE A 47 7.858 6.281 11.088 1.00 0.00 H new ATOM 729 N PHE A 48 4.375 3.479 8.172 1.00 0.00 N ATOM 730 CA PHE A 48 2.997 3.152 7.680 1.00 0.00 C ATOM 731 C PHE A 48 1.817 3.299 8.654 1.00 0.00 C ATOM 732 O PHE A 48 0.767 3.809 8.269 1.00 0.00 O ATOM 733 CB PHE A 48 3.012 1.705 7.080 1.00 0.00 C ATOM 734 CG PHE A 48 2.395 1.363 5.738 1.00 0.00 C ATOM 735 CD1 PHE A 48 2.598 2.188 4.605 1.00 0.00 C ATOM 736 CD2 PHE A 48 1.886 0.065 5.554 1.00 0.00 C ATOM 737 CE1 PHE A 48 2.144 1.813 3.357 1.00 0.00 C ATOM 738 CE2 PHE A 48 1.502 -0.332 4.273 1.00 0.00 C ATOM 739 CZ PHE A 48 1.591 0.565 3.199 1.00 0.00 C ATOM 0 H PHE A 48 5.071 2.793 7.881 1.00 0.00 H new ATOM 0 HA PHE A 48 2.792 3.929 6.943 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.058 1.403 7.026 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.531 1.060 7.815 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.118 3.128 4.720 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.794 -0.613 6.390 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.222 2.489 2.518 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.135 -1.334 4.108 1.00 0.00 H new ATOM 0 HZ PHE A 48 1.218 0.270 2.229 1.00 0.00 H new ATOM 749 N ALA A 49 2.036 2.743 9.855 1.00 0.00 N ATOM 750 CA ALA A 49 1.190 2.968 11.058 1.00 0.00 C ATOM 751 C ALA A 49 1.088 4.410 11.681 1.00 0.00 C ATOM 752 O ALA A 49 -0.008 4.849 11.920 1.00 0.00 O ATOM 753 CB ALA A 49 1.605 1.884 12.102 1.00 0.00 C ATOM 0 H ALA A 49 2.818 2.112 10.030 1.00 0.00 H new ATOM 0 HA ALA A 49 0.160 2.874 10.715 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.011 2.005 13.008 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.432 0.892 11.685 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.662 1.997 12.343 1.00 0.00 H new ATOM 759 N GLU A 50 2.231 5.129 11.837 1.00 0.00 N ATOM 760 CA GLU A 50 2.241 6.644 12.094 1.00 0.00 C ATOM 761 C GLU A 50 1.500 7.566 11.023 1.00 0.00 C ATOM 762 O GLU A 50 0.556 8.281 11.360 1.00 0.00 O ATOM 763 CB GLU A 50 3.753 7.022 12.395 1.00 0.00 C ATOM 764 CG GLU A 50 3.944 8.325 13.155 1.00 0.00 C ATOM 765 CD GLU A 50 5.300 8.562 13.845 1.00 0.00 C ATOM 766 OE1 GLU A 50 6.199 9.273 13.311 1.00 0.00 O ATOM 767 OE2 GLU A 50 5.416 7.936 15.044 1.00 0.00 O ATOM 0 H GLU A 50 3.162 4.714 11.795 1.00 0.00 H new ATOM 0 HA GLU A 50 1.605 6.868 12.950 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.208 6.214 12.967 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.292 7.086 11.450 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.774 9.147 12.459 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.166 8.386 13.916 1.00 0.00 H new ATOM 775 N LEU A 51 1.881 7.330 9.800 1.00 0.00 N ATOM 776 CA LEU A 51 1.232 7.835 8.581 1.00 0.00 C ATOM 777 C LEU A 51 -0.308 7.547 8.467 1.00 0.00 C ATOM 778 O LEU A 51 -1.075 8.473 8.317 1.00 0.00 O ATOM 779 CB LEU A 51 2.151 7.464 7.379 1.00 0.00 C ATOM 780 CG LEU A 51 1.886 7.932 5.959 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.991 6.901 5.256 1.00 0.00 C ATOM 782 CD2 LEU A 51 1.219 9.334 5.897 1.00 0.00 C ATOM 0 H LEU A 51 2.695 6.751 9.594 1.00 0.00 H new ATOM 0 HA LEU A 51 1.160 8.922 8.603 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.152 7.810 7.637 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.189 6.375 7.344 1.00 0.00 H new ATOM 0 HG LEU A 51 2.849 8.021 5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.794 7.227 4.235 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.494 5.934 5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.049 6.809 5.796 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.055 9.613 4.856 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.263 9.306 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.870 10.068 6.371 1.00 0.00 H new ATOM 794 N ALA A 52 -0.710 6.272 8.482 1.00 0.00 N ATOM 795 CA ALA A 52 -2.176 5.887 8.659 1.00 0.00 C ATOM 796 C ALA A 52 -2.938 6.545 9.802 1.00 0.00 C ATOM 797 O ALA A 52 -4.089 6.908 9.622 1.00 0.00 O ATOM 798 CB ALA A 52 -2.273 4.376 8.736 1.00 0.00 C ATOM 0 H ALA A 52 -0.079 5.478 8.378 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.684 6.287 7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.316 4.084 8.863 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.883 3.939 7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.690 4.017 9.584 1.00 0.00 H new ATOM 804 N LYS A 53 -2.362 6.642 11.022 1.00 0.00 N ATOM 805 CA LYS A 53 -2.841 7.567 12.112 1.00 0.00 C ATOM 806 C LYS A 53 -3.058 9.057 11.719 1.00 0.00 C ATOM 807 O LYS A 53 -4.081 9.605 12.087 1.00 0.00 O ATOM 808 CB LYS A 53 -1.990 7.503 13.420 1.00 0.00 C ATOM 809 CG LYS A 53 -2.130 6.237 14.263 1.00 0.00 C ATOM 810 CD LYS A 53 -0.968 6.016 15.217 1.00 0.00 C ATOM 811 CE LYS A 53 -1.277 4.833 16.151 1.00 0.00 C ATOM 812 NZ LYS A 53 -0.250 4.693 17.248 1.00 0.00 N ATOM 0 H LYS A 53 -1.550 6.087 11.293 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.831 7.152 12.301 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.940 7.619 13.150 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.255 8.358 14.042 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.056 6.291 14.836 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.215 5.376 13.600 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.056 5.818 14.654 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.791 6.917 15.804 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.264 4.969 16.594 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.313 3.912 15.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.497 3.884 17.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.688 4.537 16.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.233 5.561 17.820 1.00 0.00 H new ATOM 825 N LYS A 54 -2.121 9.695 10.987 1.00 0.00 N ATOM 826 CA LYS A 54 -2.226 11.040 10.342 1.00 0.00 C ATOM 827 C LYS A 54 -3.367 11.364 9.324 1.00 0.00 C ATOM 828 O LYS A 54 -3.886 12.471 9.235 1.00 0.00 O ATOM 829 CB LYS A 54 -0.804 11.375 9.793 1.00 0.00 C ATOM 830 CG LYS A 54 -0.467 12.864 9.679 1.00 0.00 C ATOM 831 CD LYS A 54 0.934 13.130 9.091 1.00 0.00 C ATOM 832 CE LYS A 54 2.101 12.736 10.001 1.00 0.00 C ATOM 833 NZ LYS A 54 3.396 13.123 9.375 1.00 0.00 N ATOM 0 H LYS A 54 -1.212 9.267 10.814 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.575 11.702 11.135 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.065 10.903 10.440 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.700 10.922 8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.214 13.352 9.053 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.531 13.321 10.667 1.00 0.00 H new ATOM 0 HD2 LYS A 54 1.026 12.587 8.150 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.018 14.191 8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.997 13.224 10.970 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.083 11.661 10.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.180 12.850 10.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.499 12.637 8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.415 14.152 9.224 1.00 0.00 H new ATOM 846 N PHE A 55 -3.772 10.314 8.609 1.00 0.00 N ATOM 847 CA PHE A 55 -4.507 10.298 7.280 1.00 0.00 C ATOM 848 C PHE A 55 -5.754 9.332 7.288 1.00 0.00 C ATOM 849 O PHE A 55 -5.591 8.124 7.040 1.00 0.00 O ATOM 850 CB PHE A 55 -3.421 10.004 6.235 1.00 0.00 C ATOM 851 CG PHE A 55 -2.812 11.259 5.572 1.00 0.00 C ATOM 852 CD1 PHE A 55 -3.574 12.042 4.697 1.00 0.00 C ATOM 853 CD2 PHE A 55 -1.531 11.632 5.874 1.00 0.00 C ATOM 854 CE1 PHE A 55 -3.078 13.227 4.204 1.00 0.00 C ATOM 855 CE2 PHE A 55 -1.037 12.811 5.415 1.00 0.00 C ATOM 856 CZ PHE A 55 -1.809 13.621 4.587 1.00 0.00 C ATOM 0 H PHE A 55 -3.597 9.366 8.942 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.986 11.247 7.041 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.622 9.436 6.711 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.845 9.368 5.458 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.561 11.713 4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -0.911 10.987 6.479 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.666 13.836 3.533 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.041 13.121 5.694 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.414 14.565 4.241 1.00 0.00 H new ATOM 866 N PRO A 56 -6.975 9.864 7.563 1.00 0.00 N ATOM 867 CA PRO A 56 -8.328 9.249 7.540 1.00 0.00 C ATOM 868 C PRO A 56 -9.084 8.720 6.260 1.00 0.00 C ATOM 869 O PRO A 56 -9.788 7.664 6.341 1.00 0.00 O ATOM 870 CB PRO A 56 -9.237 10.082 8.421 1.00 0.00 C ATOM 871 CG PRO A 56 -8.731 11.471 8.139 1.00 0.00 C ATOM 872 CD PRO A 56 -7.215 11.309 7.848 1.00 0.00 C ATOM 0 HA PRO A 56 -8.059 8.249 7.881 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.287 9.965 8.154 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.144 9.817 9.474 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.249 11.912 7.287 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -8.899 12.130 8.991 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.918 11.924 6.998 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.622 11.637 8.702 1.00 0.00 H new ATOM 880 N ASN A 57 -9.031 9.414 5.097 1.00 0.00 N ATOM 881 CA ASN A 57 -9.666 9.047 3.766 1.00 0.00 C ATOM 882 C ASN A 57 -9.037 7.792 3.064 1.00 0.00 C ATOM 883 O ASN A 57 -9.339 7.600 1.826 1.00 0.00 O ATOM 884 CB ASN A 57 -9.607 10.285 2.905 1.00 0.00 C ATOM 885 CG ASN A 57 -8.302 11.010 2.344 1.00 0.00 C ATOM 886 OD1 ASN A 57 -7.601 10.513 1.451 1.00 0.00 O ATOM 887 ND2 ASN A 57 -7.917 12.141 2.924 1.00 0.00 N ATOM 0 H ASN A 57 -8.521 10.296 5.038 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.696 8.732 3.936 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.208 10.053 2.026 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.144 11.051 3.465 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.050 12.594 2.634 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.488 12.557 3.660 1.00 0.00 H new ATOM 894 N VAL A 58 -8.037 7.101 3.742 1.00 0.00 N ATOM 895 CA VAL A 58 -7.055 6.317 3.097 1.00 0.00 C ATOM 896 C VAL A 58 -6.785 5.092 4.043 1.00 0.00 C ATOM 897 O VAL A 58 -6.193 5.125 5.137 1.00 0.00 O ATOM 898 CB VAL A 58 -5.940 7.264 2.580 1.00 0.00 C ATOM 899 CG1 VAL A 58 -5.353 8.134 3.659 1.00 0.00 C ATOM 900 CG2 VAL A 58 -4.803 6.583 1.904 1.00 0.00 C ATOM 0 H VAL A 58 -7.945 7.114 4.758 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.307 5.819 2.161 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.476 7.867 1.847 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.580 8.772 3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.137 8.755 4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.917 7.506 4.436 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.076 7.326 1.578 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.328 5.891 2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.171 6.032 1.039 1.00 0.00 H new ATOM 910 N THR A 59 -7.095 3.912 3.428 1.00 0.00 N ATOM 911 CA THR A 59 -6.714 2.555 3.860 1.00 0.00 C ATOM 912 C THR A 59 -5.290 2.184 3.266 1.00 0.00 C ATOM 913 O THR A 59 -4.730 2.655 2.264 1.00 0.00 O ATOM 914 CB THR A 59 -7.899 1.639 3.418 1.00 0.00 C ATOM 915 OG1 THR A 59 -8.947 1.948 4.293 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.611 0.117 3.543 1.00 0.00 C ATOM 0 H THR A 59 -7.648 3.894 2.571 1.00 0.00 H new ATOM 0 HA THR A 59 -6.578 2.442 4.936 1.00 0.00 H new ATOM 0 HB THR A 59 -8.107 1.822 2.364 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.419 1.126 4.542 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.485 -0.447 3.216 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.756 -0.144 2.919 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.390 -0.127 4.582 1.00 0.00 H new ATOM 924 N PHE A 60 -4.668 1.232 4.013 1.00 0.00 N ATOM 925 CA PHE A 60 -3.314 0.742 3.884 1.00 0.00 C ATOM 926 C PHE A 60 -3.297 -0.793 4.046 1.00 0.00 C ATOM 927 O PHE A 60 -3.963 -1.300 4.925 1.00 0.00 O ATOM 928 CB PHE A 60 -2.334 1.402 4.895 1.00 0.00 C ATOM 929 CG PHE A 60 -2.219 2.915 4.834 1.00 0.00 C ATOM 930 CD1 PHE A 60 -1.255 3.395 3.974 1.00 0.00 C ATOM 931 CD2 PHE A 60 -3.134 3.768 5.470 1.00 0.00 C ATOM 932 CE1 PHE A 60 -1.167 4.783 3.755 1.00 0.00 C ATOM 933 CE2 PHE A 60 -3.079 5.126 5.188 1.00 0.00 C ATOM 934 CZ PHE A 60 -2.120 5.617 4.322 1.00 0.00 C ATOM 0 H PHE A 60 -5.160 0.766 4.775 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.966 1.015 2.888 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.643 1.123 5.902 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.343 0.977 4.737 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -0.578 2.717 3.476 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.864 3.377 6.163 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -0.369 5.193 3.154 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.787 5.801 5.646 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.112 6.670 4.082 1.00 0.00 H new ATOM 944 N LEU A 61 -2.439 -1.514 3.328 1.00 0.00 N ATOM 945 CA LEU A 61 -2.311 -2.950 3.342 1.00 0.00 C ATOM 946 C LEU A 61 -0.866 -3.320 2.818 1.00 0.00 C ATOM 947 O LEU A 61 -0.164 -2.580 2.140 1.00 0.00 O ATOM 948 CB LEU A 61 -3.539 -3.643 2.661 1.00 0.00 C ATOM 949 CG LEU A 61 -3.643 -3.714 1.101 1.00 0.00 C ATOM 950 CD1 LEU A 61 -2.867 -4.894 0.446 1.00 0.00 C ATOM 951 CD2 LEU A 61 -5.099 -3.893 0.680 1.00 0.00 C ATOM 0 H LEU A 61 -1.780 -1.075 2.686 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.364 -3.364 4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.579 -4.667 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.435 -3.137 3.021 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.203 -2.776 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.998 -4.860 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.807 -4.810 0.686 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.252 -5.839 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.160 -3.941 -0.407 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.490 -4.817 1.107 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.688 -3.049 1.039 1.00 0.00 H new ATOM 963 N LYS A 62 -0.359 -4.423 3.266 1.00 0.00 N ATOM 964 CA LYS A 62 0.981 -4.887 3.116 1.00 0.00 C ATOM 965 C LYS A 62 0.875 -6.358 2.781 1.00 0.00 C ATOM 966 O LYS A 62 0.449 -7.267 3.517 1.00 0.00 O ATOM 967 CB LYS A 62 1.854 -4.704 4.421 1.00 0.00 C ATOM 968 CG LYS A 62 1.354 -4.989 5.793 1.00 0.00 C ATOM 969 CD LYS A 62 2.433 -4.689 6.828 1.00 0.00 C ATOM 970 CE LYS A 62 2.276 -5.173 8.314 1.00 0.00 C ATOM 971 NZ LYS A 62 1.016 -4.774 8.855 1.00 0.00 N ATOM 0 H LYS A 62 -0.928 -5.083 3.796 1.00 0.00 H new ATOM 0 HA LYS A 62 1.481 -4.306 2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.742 -5.321 4.284 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.185 -3.665 4.425 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.469 -4.386 5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.052 -6.034 5.867 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.365 -5.110 6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.559 -3.607 6.855 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.366 -6.258 8.358 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.082 -4.761 8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.168 -4.252 9.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.524 -4.162 8.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 0.437 -5.617 9.045 1.00 0.00 H new ATOM 984 N VAL A 63 1.241 -6.503 1.485 1.00 0.00 N ATOM 985 CA VAL A 63 1.397 -7.813 0.798 1.00 0.00 C ATOM 986 C VAL A 63 2.823 -8.208 1.165 1.00 0.00 C ATOM 987 O VAL A 63 3.834 -7.654 0.767 1.00 0.00 O ATOM 988 CB VAL A 63 1.120 -7.734 -0.740 1.00 0.00 C ATOM 989 CG1 VAL A 63 1.354 -9.099 -1.324 1.00 0.00 C ATOM 990 CG2 VAL A 63 -0.392 -7.304 -0.966 1.00 0.00 C ATOM 0 H VAL A 63 1.439 -5.707 0.879 1.00 0.00 H new ATOM 0 HA VAL A 63 0.669 -8.562 1.110 1.00 0.00 H new ATOM 0 HB VAL A 63 1.775 -7.006 -1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.168 -9.072 -2.398 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.386 -9.401 -1.142 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.679 -9.816 -0.856 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.598 -7.245 -2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -1.052 -8.041 -0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.565 -6.330 -0.509 1.00 0.00 H new ATOM 1000 N ASP A 64 2.992 -9.343 1.786 1.00 0.00 N ATOM 1001 CA ASP A 64 4.223 -10.130 1.862 1.00 0.00 C ATOM 1002 C ASP A 64 4.317 -10.892 0.485 1.00 0.00 C ATOM 1003 O ASP A 64 3.462 -11.733 0.099 1.00 0.00 O ATOM 1004 CB ASP A 64 4.049 -11.049 3.076 1.00 0.00 C ATOM 1005 CG ASP A 64 5.338 -11.810 3.288 1.00 0.00 C ATOM 1006 OD1 ASP A 64 6.132 -11.577 4.190 1.00 0.00 O ATOM 1007 OD2 ASP A 64 5.545 -12.854 2.504 1.00 0.00 O ATOM 0 H ASP A 64 2.226 -9.786 2.293 1.00 0.00 H new ATOM 0 HA ASP A 64 5.147 -9.568 1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.804 -10.464 3.962 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.223 -11.741 2.912 1.00 0.00 H new ATOM 1013 N VAL A 65 5.406 -10.509 -0.282 1.00 0.00 N ATOM 1014 CA VAL A 65 5.779 -10.914 -1.648 1.00 0.00 C ATOM 1015 C VAL A 65 5.982 -12.433 -1.840 1.00 0.00 C ATOM 1016 O VAL A 65 5.673 -12.960 -2.924 1.00 0.00 O ATOM 1017 CB VAL A 65 6.871 -10.020 -2.362 1.00 0.00 C ATOM 1018 CG1 VAL A 65 8.345 -10.362 -2.275 1.00 0.00 C ATOM 1019 CG2 VAL A 65 6.581 -10.000 -3.912 1.00 0.00 C ATOM 0 H VAL A 65 6.088 -9.852 0.097 1.00 0.00 H new ATOM 0 HA VAL A 65 4.873 -10.686 -2.209 1.00 0.00 H new ATOM 0 HB VAL A 65 6.754 -9.094 -1.798 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.923 -9.625 -2.832 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.659 -10.356 -1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.515 -11.352 -2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.329 -9.386 -4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.624 -11.016 -4.303 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.590 -9.584 -4.091 1.00 0.00 H new ATOM 1029 N ASP A 66 6.631 -13.011 -0.878 1.00 0.00 N ATOM 1030 CA ASP A 66 6.979 -14.512 -0.767 1.00 0.00 C ATOM 1031 C ASP A 66 5.766 -15.390 -1.152 1.00 0.00 C ATOM 1032 O ASP A 66 5.900 -16.180 -2.100 1.00 0.00 O ATOM 1033 CB ASP A 66 7.685 -14.926 0.532 1.00 0.00 C ATOM 1034 CG ASP A 66 9.038 -14.260 0.843 1.00 0.00 C ATOM 1035 OD1 ASP A 66 10.103 -14.748 0.533 1.00 0.00 O ATOM 1036 OD2 ASP A 66 8.839 -13.032 1.236 1.00 0.00 O ATOM 0 H ASP A 66 6.977 -12.480 -0.079 1.00 0.00 H new ATOM 0 HA ASP A 66 7.755 -14.701 -1.508 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.010 -14.722 1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 66 7.839 -16.005 0.504 1.00 0.00 H new ATOM 1042 N GLU A 67 4.601 -15.309 -0.466 1.00 0.00 N ATOM 1043 CA GLU A 67 3.343 -15.908 -0.867 1.00 0.00 C ATOM 1044 C GLU A 67 2.683 -15.455 -2.203 1.00 0.00 C ATOM 1045 O GLU A 67 1.794 -16.115 -2.793 1.00 0.00 O ATOM 1046 CB GLU A 67 2.368 -15.847 0.372 1.00 0.00 C ATOM 1047 CG GLU A 67 2.703 -16.840 1.481 1.00 0.00 C ATOM 1048 CD GLU A 67 1.818 -16.800 2.720 1.00 0.00 C ATOM 1049 OE1 GLU A 67 2.102 -16.124 3.708 1.00 0.00 O ATOM 1050 OE2 GLU A 67 0.712 -17.627 2.654 1.00 0.00 O ATOM 0 H GLU A 67 4.528 -14.800 0.415 1.00 0.00 H new ATOM 0 HA GLU A 67 3.583 -16.933 -1.149 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.386 -14.838 0.785 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.350 -16.033 0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.659 -17.846 1.063 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.733 -16.669 1.792 1.00 0.00 H new ATOM 1058 N LEU A 68 3.058 -14.299 -2.755 1.00 0.00 N ATOM 1059 CA LEU A 68 2.169 -13.551 -3.778 1.00 0.00 C ATOM 1060 C LEU A 68 3.051 -12.684 -4.699 1.00 0.00 C ATOM 1061 O LEU A 68 2.794 -11.482 -5.028 1.00 0.00 O ATOM 1062 CB LEU A 68 1.060 -12.638 -3.161 1.00 0.00 C ATOM 1063 CG LEU A 68 -0.131 -13.276 -2.369 1.00 0.00 C ATOM 1064 CD1 LEU A 68 -1.089 -12.176 -1.877 1.00 0.00 C ATOM 1065 CD2 LEU A 68 -0.978 -14.265 -3.208 1.00 0.00 C ATOM 0 H LEU A 68 3.941 -13.832 -2.548 1.00 0.00 H new ATOM 0 HA LEU A 68 1.650 -14.339 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.555 -11.935 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.631 -12.054 -3.975 1.00 0.00 H new ATOM 0 HG LEU A 68 0.331 -13.822 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.913 -12.631 -1.328 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.551 -11.491 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.482 -11.627 -2.732 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.784 -14.666 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.402 -13.744 -4.066 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.345 -15.082 -3.556 1.00 0.00 H new ATOM 1077 N LYS A 69 4.064 -13.285 -5.285 1.00 0.00 N ATOM 1078 CA LYS A 69 4.986 -12.714 -6.327 1.00 0.00 C ATOM 1079 C LYS A 69 4.390 -12.387 -7.738 1.00 0.00 C ATOM 1080 O LYS A 69 4.502 -11.261 -8.185 1.00 0.00 O ATOM 1081 CB LYS A 69 6.381 -13.414 -6.435 1.00 0.00 C ATOM 1082 CG LYS A 69 6.433 -14.920 -6.536 1.00 0.00 C ATOM 1083 CD LYS A 69 7.608 -15.446 -7.368 1.00 0.00 C ATOM 1084 CE LYS A 69 8.987 -15.381 -6.618 1.00 0.00 C ATOM 1085 NZ LYS A 69 10.114 -15.598 -7.518 1.00 0.00 N ATOM 0 H LYS A 69 4.308 -14.248 -5.054 1.00 0.00 H new ATOM 0 HA LYS A 69 5.148 -11.730 -5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 69 6.888 -13.007 -7.310 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.966 -13.121 -5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 69 6.495 -15.340 -5.532 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.501 -15.277 -6.974 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.407 -16.479 -7.653 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.677 -14.868 -8.290 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.091 -14.409 -6.136 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.005 -16.132 -5.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.003 -15.546 -6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.030 -16.536 -7.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.114 -14.866 -8.257 1.00 0.00 H new ATOM 1098 N ALA A 70 3.786 -13.466 -8.337 1.00 0.00 N ATOM 1099 CA ALA A 70 3.128 -13.490 -9.566 1.00 0.00 C ATOM 1100 C ALA A 70 2.153 -12.356 -9.804 1.00 0.00 C ATOM 1101 O ALA A 70 2.262 -11.621 -10.725 1.00 0.00 O ATOM 1102 CB ALA A 70 2.687 -14.900 -9.840 1.00 0.00 C ATOM 0 H ALA A 70 3.781 -14.382 -7.888 1.00 0.00 H new ATOM 0 HA ALA A 70 3.818 -13.234 -10.370 1.00 0.00 H new ATOM 0 HB1 ALA A 70 2.169 -14.940 -10.798 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.558 -15.554 -9.871 1.00 0.00 H new ATOM 0 HB3 ALA A 70 2.013 -15.230 -9.050 1.00 0.00 H new ATOM 1108 N VAL A 71 1.104 -12.168 -8.917 1.00 0.00 N ATOM 1109 CA VAL A 71 0.356 -10.829 -8.760 1.00 0.00 C ATOM 1110 C VAL A 71 1.133 -9.494 -8.492 1.00 0.00 C ATOM 1111 O VAL A 71 0.849 -8.539 -9.236 1.00 0.00 O ATOM 1112 CB VAL A 71 -0.787 -11.018 -7.751 1.00 0.00 C ATOM 1113 CG1 VAL A 71 -0.413 -11.086 -6.320 1.00 0.00 C ATOM 1114 CG2 VAL A 71 -1.781 -9.833 -7.932 1.00 0.00 C ATOM 0 H VAL A 71 0.754 -12.905 -8.305 1.00 0.00 H new ATOM 0 HA VAL A 71 0.024 -10.632 -9.779 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.206 -11.998 -7.977 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.310 -11.220 -5.715 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.262 -11.927 -6.160 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.085 -10.161 -6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.606 -9.939 -7.228 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.263 -8.892 -7.745 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.171 -9.837 -8.950 1.00 0.00 H new ATOM 1124 N ALA A 72 1.983 -9.519 -7.477 1.00 0.00 N ATOM 1125 CA ALA A 72 2.894 -8.237 -7.283 1.00 0.00 C ATOM 1126 C ALA A 72 3.558 -7.622 -8.515 1.00 0.00 C ATOM 1127 O ALA A 72 3.449 -6.429 -8.761 1.00 0.00 O ATOM 1128 CB ALA A 72 3.796 -8.211 -6.034 1.00 0.00 C ATOM 0 H ALA A 72 2.110 -10.279 -6.809 1.00 0.00 H new ATOM 0 HA ALA A 72 2.090 -7.532 -7.070 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.368 -7.283 -6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.179 -8.273 -5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.481 -9.059 -6.062 1.00 0.00 H new ATOM 1134 N GLU A 73 4.247 -8.461 -9.179 1.00 0.00 N ATOM 1135 CA GLU A 73 4.820 -8.227 -10.494 1.00 0.00 C ATOM 1136 C GLU A 73 3.778 -7.725 -11.517 1.00 0.00 C ATOM 1137 O GLU A 73 3.878 -6.668 -12.117 1.00 0.00 O ATOM 1138 CB GLU A 73 5.516 -9.511 -11.038 1.00 0.00 C ATOM 1139 CG GLU A 73 6.875 -9.893 -10.367 1.00 0.00 C ATOM 1140 CD GLU A 73 7.488 -11.251 -10.750 1.00 0.00 C ATOM 1141 OE1 GLU A 73 8.094 -11.534 -11.786 1.00 0.00 O ATOM 1142 OE2 GLU A 73 7.264 -12.154 -9.674 1.00 0.00 O ATOM 0 H GLU A 73 4.454 -9.394 -8.821 1.00 0.00 H new ATOM 0 HA GLU A 73 5.563 -7.440 -10.367 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.829 -10.349 -10.922 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.685 -9.383 -12.107 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.600 -9.115 -10.605 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.735 -9.878 -9.286 1.00 0.00 H new ATOM 1150 N GLU A 74 2.574 -8.398 -11.614 1.00 0.00 N ATOM 1151 CA GLU A 74 1.411 -7.967 -12.363 1.00 0.00 C ATOM 1152 C GLU A 74 0.832 -6.560 -12.026 1.00 0.00 C ATOM 1153 O GLU A 74 0.545 -5.654 -12.980 1.00 0.00 O ATOM 1154 CB GLU A 74 0.454 -9.137 -12.597 1.00 0.00 C ATOM 1155 CG GLU A 74 -0.891 -9.076 -11.889 1.00 0.00 C ATOM 1156 CD GLU A 74 -2.130 -8.785 -12.664 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -2.543 -9.541 -13.552 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -2.854 -7.712 -12.163 1.00 0.00 O ATOM 0 H GLU A 74 2.419 -9.288 -11.140 1.00 0.00 H new ATOM 0 HA GLU A 74 1.746 -7.692 -13.363 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.270 -9.216 -13.668 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.958 -10.054 -12.291 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.038 -10.034 -11.391 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.812 -8.319 -11.108 1.00 0.00 H new ATOM 1166 N TRP A 75 0.727 -6.148 -10.691 1.00 0.00 N ATOM 1167 CA TRP A 75 0.533 -4.778 -10.267 1.00 0.00 C ATOM 1168 C TRP A 75 1.448 -3.708 -10.883 1.00 0.00 C ATOM 1169 O TRP A 75 1.007 -2.724 -11.493 1.00 0.00 O ATOM 1170 CB TRP A 75 0.247 -4.461 -8.721 1.00 0.00 C ATOM 1171 CG TRP A 75 -0.927 -5.275 -8.037 1.00 0.00 C ATOM 1172 CD1 TRP A 75 -0.723 -6.406 -7.118 1.00 0.00 C ATOM 1173 CD2 TRP A 75 -2.258 -5.175 -8.254 1.00 0.00 C ATOM 1174 NE1 TRP A 75 -1.923 -6.890 -6.640 1.00 0.00 N ATOM 1175 CE2 TRP A 75 -2.849 -6.195 -7.523 1.00 0.00 C ATOM 1176 CE3 TRP A 75 -3.012 -4.510 -9.251 1.00 0.00 C ATOM 1177 CZ2 TRP A 75 -4.095 -6.725 -7.898 1.00 0.00 C ATOM 1178 CZ3 TRP A 75 -4.292 -5.026 -9.512 1.00 0.00 C ATOM 1179 CH2 TRP A 75 -4.773 -6.192 -8.920 1.00 0.00 C ATOM 0 H TRP A 75 0.782 -6.803 -9.911 1.00 0.00 H new ATOM 0 HA TRP A 75 -0.442 -4.685 -10.745 1.00 0.00 H new ATOM 0 HB2 TRP A 75 1.163 -4.647 -8.160 1.00 0.00 H new ATOM 0 HB3 TRP A 75 0.025 -3.398 -8.626 1.00 0.00 H new ATOM 0 HD1 TRP A 75 0.244 -6.806 -6.851 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -2.109 -7.548 -5.883 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -2.624 -3.653 -9.782 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.507 -7.566 -7.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -4.932 -4.496 -10.202 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.678 -6.658 -9.281 1.00 0.00 H new ATOM 1190 N ASN A 76 2.781 -4.016 -10.726 1.00 0.00 N ATOM 1191 CA ASN A 76 3.838 -3.489 -11.664 1.00 0.00 C ATOM 1192 C ASN A 76 5.136 -3.399 -10.762 1.00 0.00 C ATOM 1193 O ASN A 76 5.562 -2.338 -10.312 1.00 0.00 O ATOM 1194 CB ASN A 76 3.549 -2.242 -12.501 1.00 0.00 C ATOM 1195 CG ASN A 76 4.612 -1.922 -13.595 1.00 0.00 C ATOM 1196 OD1 ASN A 76 5.468 -1.082 -13.397 1.00 0.00 O ATOM 1197 ND2 ASN A 76 4.437 -2.608 -14.753 1.00 0.00 N ATOM 0 H ASN A 76 3.142 -4.610 -9.980 1.00 0.00 H new ATOM 0 HA ASN A 76 3.930 -4.173 -12.507 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.579 -2.363 -12.983 1.00 0.00 H new ATOM 0 HB3 ASN A 76 3.468 -1.385 -11.833 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.053 -2.434 -15.547 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.689 -3.297 -14.829 1.00 0.00 H new ATOM 1204 N VAL A 77 5.682 -4.460 -10.275 1.00 0.00 N ATOM 1205 CA VAL A 77 6.655 -4.559 -9.091 1.00 0.00 C ATOM 1206 C VAL A 77 7.655 -5.543 -9.737 1.00 0.00 C ATOM 1207 O VAL A 77 7.640 -6.741 -9.522 1.00 0.00 O ATOM 1208 CB VAL A 77 6.049 -5.154 -7.788 1.00 0.00 C ATOM 1209 CG1 VAL A 77 6.973 -5.456 -6.654 1.00 0.00 C ATOM 1210 CG2 VAL A 77 5.010 -4.203 -7.335 1.00 0.00 C ATOM 0 H VAL A 77 5.488 -5.377 -10.676 1.00 0.00 H new ATOM 0 HA VAL A 77 7.033 -3.599 -8.738 1.00 0.00 H new ATOM 0 HB VAL A 77 5.681 -6.143 -8.062 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.403 -5.864 -5.819 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.718 -6.184 -6.975 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.473 -4.540 -6.339 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.551 -4.575 -6.419 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.465 -3.231 -7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.248 -4.102 -8.108 1.00 0.00 H new ATOM 1220 N GLU A 78 8.680 -4.961 -10.331 1.00 0.00 N ATOM 1221 CA GLU A 78 10.161 -5.487 -10.443 1.00 0.00 C ATOM 1222 C GLU A 78 11.176 -5.461 -9.233 1.00 0.00 C ATOM 1223 O GLU A 78 12.082 -6.154 -9.313 1.00 0.00 O ATOM 1224 CB GLU A 78 10.815 -4.845 -11.653 1.00 0.00 C ATOM 1225 CG GLU A 78 10.477 -3.325 -12.010 1.00 0.00 C ATOM 1226 CD GLU A 78 10.986 -2.384 -10.943 1.00 0.00 C ATOM 1227 OE1 GLU A 78 10.181 -1.722 -10.290 1.00 0.00 O ATOM 1228 OE2 GLU A 78 12.439 -2.387 -10.675 1.00 0.00 O ATOM 0 H GLU A 78 8.570 -4.059 -10.794 1.00 0.00 H new ATOM 0 HA GLU A 78 9.976 -6.560 -10.498 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.894 -4.918 -11.519 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.560 -5.450 -12.523 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.925 -3.066 -12.970 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.399 -3.206 -12.119 1.00 0.00 H new ATOM 1236 N ALA A 79 10.868 -4.643 -8.179 1.00 0.00 N ATOM 1237 CA ALA A 79 11.721 -4.253 -7.051 1.00 0.00 C ATOM 1238 C ALA A 79 10.949 -4.121 -5.661 1.00 0.00 C ATOM 1239 O ALA A 79 9.735 -3.837 -5.458 1.00 0.00 O ATOM 1240 CB ALA A 79 12.514 -3.009 -7.545 1.00 0.00 C ATOM 0 H ALA A 79 9.944 -4.217 -8.108 1.00 0.00 H new ATOM 0 HA ALA A 79 12.427 -5.037 -6.777 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.175 -2.660 -6.752 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.107 -3.279 -8.419 1.00 0.00 H new ATOM 0 HB3 ALA A 79 11.816 -2.215 -7.811 1.00 0.00 H new ATOM 1246 N MET A 80 11.793 -4.388 -4.656 1.00 0.00 N ATOM 1247 CA MET A 80 11.505 -4.350 -3.248 1.00 0.00 C ATOM 1248 C MET A 80 12.050 -3.087 -2.635 1.00 0.00 C ATOM 1249 O MET A 80 13.329 -2.959 -2.637 1.00 0.00 O ATOM 1250 CB MET A 80 11.959 -5.581 -2.449 1.00 0.00 C ATOM 1251 CG MET A 80 11.418 -6.901 -3.090 1.00 0.00 C ATOM 1252 SD MET A 80 9.726 -7.036 -2.439 1.00 0.00 S ATOM 1253 CE MET A 80 8.563 -6.714 -3.879 1.00 0.00 C ATOM 0 H MET A 80 12.761 -4.654 -4.837 1.00 0.00 H new ATOM 0 HA MET A 80 10.417 -4.364 -3.182 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.048 -5.612 -2.411 1.00 0.00 H new ATOM 0 HB3 MET A 80 11.606 -5.501 -1.421 1.00 0.00 H new ATOM 0 HG2 MET A 80 11.425 -6.849 -4.179 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.025 -7.761 -2.808 1.00 0.00 H new ATOM 0 HE1 MET A 80 7.561 -7.056 -3.621 1.00 0.00 H new ATOM 0 HE2 MET A 80 8.538 -5.646 -4.094 1.00 0.00 H new ATOM 0 HE3 MET A 80 8.915 -7.253 -4.758 1.00 0.00 H new ATOM 1263 N PRO A 81 11.250 -2.049 -2.227 1.00 0.00 N ATOM 1264 CA PRO A 81 9.745 -2.145 -2.261 1.00 0.00 C ATOM 1265 C PRO A 81 8.859 -0.801 -2.501 1.00 0.00 C ATOM 1266 O PRO A 81 9.217 0.408 -2.400 1.00 0.00 O ATOM 1267 CB PRO A 81 9.606 -2.492 -0.709 1.00 0.00 C ATOM 1268 CG PRO A 81 10.700 -1.387 -0.184 1.00 0.00 C ATOM 1269 CD PRO A 81 11.791 -1.152 -1.229 1.00 0.00 C ATOM 0 HA PRO A 81 9.395 -2.787 -3.070 1.00 0.00 H new ATOM 0 HB2 PRO A 81 8.602 -2.328 -0.317 1.00 0.00 H new ATOM 0 HB3 PRO A 81 9.879 -3.520 -0.469 1.00 0.00 H new ATOM 0 HG2 PRO A 81 10.195 -0.447 0.036 1.00 0.00 H new ATOM 0 HG3 PRO A 81 11.152 -1.732 0.746 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.852 -0.117 -1.565 1.00 0.00 H new ATOM 0 HD3 PRO A 81 12.786 -1.435 -0.887 1.00 0.00 H new ATOM 1277 N THR A 82 7.719 -1.277 -3.035 1.00 0.00 N ATOM 1278 CA THR A 82 6.958 -0.684 -4.083 1.00 0.00 C ATOM 1279 C THR A 82 5.567 -0.364 -3.411 1.00 0.00 C ATOM 1280 O THR A 82 4.888 -1.011 -2.663 1.00 0.00 O ATOM 1281 CB THR A 82 6.759 -1.289 -5.478 1.00 0.00 C ATOM 1282 OG1 THR A 82 7.927 -1.911 -6.004 1.00 0.00 O ATOM 1283 CG2 THR A 82 6.247 -0.450 -6.682 1.00 0.00 C ATOM 0 H THR A 82 7.301 -2.146 -2.704 1.00 0.00 H new ATOM 0 HA THR A 82 7.598 0.131 -4.421 1.00 0.00 H new ATOM 0 HB THR A 82 5.943 -1.943 -5.170 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.224 -2.618 -5.394 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.183 -1.084 -7.566 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.260 -0.048 -6.452 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.938 0.371 -6.873 1.00 0.00 H new ATOM 1291 N PHE A 83 5.052 0.876 -3.727 1.00 0.00 N ATOM 1292 CA PHE A 83 3.857 1.487 -3.231 1.00 0.00 C ATOM 1293 C PHE A 83 3.044 2.141 -4.397 1.00 0.00 C ATOM 1294 O PHE A 83 3.360 3.137 -5.015 1.00 0.00 O ATOM 1295 CB PHE A 83 4.101 2.586 -2.078 1.00 0.00 C ATOM 1296 CG PHE A 83 5.056 2.272 -0.980 1.00 0.00 C ATOM 1297 CD1 PHE A 83 6.449 2.494 -0.907 1.00 0.00 C ATOM 1298 CD2 PHE A 83 4.556 1.601 0.180 1.00 0.00 C ATOM 1299 CE1 PHE A 83 7.181 2.267 0.260 1.00 0.00 C ATOM 1300 CE2 PHE A 83 5.278 1.335 1.340 1.00 0.00 C ATOM 1301 CZ PHE A 83 6.579 1.668 1.360 1.00 0.00 C ATOM 0 H PHE A 83 5.532 1.485 -4.390 1.00 0.00 H new ATOM 0 HA PHE A 83 3.292 0.673 -2.776 1.00 0.00 H new ATOM 0 HB2 PHE A 83 4.443 3.501 -2.561 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.136 2.807 -1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 83 6.966 2.852 -1.785 1.00 0.00 H new ATOM 0 HD2 PHE A 83 3.528 1.272 0.154 1.00 0.00 H new ATOM 0 HE1 PHE A 83 8.220 2.558 0.308 1.00 0.00 H new ATOM 0 HE2 PHE A 83 4.807 0.876 2.196 1.00 0.00 H new ATOM 0 HZ PHE A 83 7.166 1.467 2.244 1.00 0.00 H new ATOM 1311 N ILE A 84 1.847 1.461 -4.552 1.00 0.00 N ATOM 1312 CA ILE A 84 0.931 1.531 -5.661 1.00 0.00 C ATOM 1313 C ILE A 84 -0.498 1.905 -4.966 1.00 0.00 C ATOM 1314 O ILE A 84 -0.814 1.580 -3.797 1.00 0.00 O ATOM 1315 CB ILE A 84 0.950 0.238 -6.621 1.00 0.00 C ATOM 1316 CG1 ILE A 84 2.435 -0.235 -6.752 1.00 0.00 C ATOM 1317 CG2 ILE A 84 0.310 0.477 -7.971 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.899 -1.249 -7.744 1.00 0.00 C ATOM 0 H ILE A 84 1.515 0.818 -3.833 1.00 0.00 H new ATOM 0 HA ILE A 84 1.208 2.290 -6.392 1.00 0.00 H new ATOM 0 HB ILE A 84 0.339 -0.544 -6.170 1.00 0.00 H new ATOM 0 HG12 ILE A 84 3.026 0.662 -6.933 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.723 -0.614 -5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 84 0.359 -0.436 -8.564 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -0.732 0.765 -7.834 1.00 0.00 H new ATOM 0 HG23 ILE A 84 0.842 1.275 -8.490 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.972 -1.403 -7.632 1.00 0.00 H new ATOM 0 HD12 ILE A 84 2.378 -2.191 -7.573 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.686 -0.895 -8.753 1.00 0.00 H new ATOM 1330 N PHE A 85 -1.067 2.805 -5.685 1.00 0.00 N ATOM 1331 CA PHE A 85 -2.162 3.627 -5.366 1.00 0.00 C ATOM 1332 C PHE A 85 -3.295 3.276 -6.322 1.00 0.00 C ATOM 1333 O PHE A 85 -3.177 3.393 -7.535 1.00 0.00 O ATOM 1334 CB PHE A 85 -1.661 5.113 -5.367 1.00 0.00 C ATOM 1335 CG PHE A 85 -0.702 5.553 -4.242 1.00 0.00 C ATOM 1336 CD1 PHE A 85 0.626 5.305 -4.339 1.00 0.00 C ATOM 1337 CD2 PHE A 85 -1.192 6.435 -3.243 1.00 0.00 C ATOM 1338 CE1 PHE A 85 1.501 5.753 -3.395 1.00 0.00 C ATOM 1339 CE2 PHE A 85 -0.295 7.005 -2.318 1.00 0.00 C ATOM 1340 CZ PHE A 85 1.054 6.730 -2.476 1.00 0.00 C ATOM 0 H PHE A 85 -0.727 3.000 -6.627 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.575 3.473 -4.369 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.165 5.298 -6.320 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.537 5.761 -5.332 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.999 4.741 -5.181 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.245 6.667 -3.192 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.510 5.371 -3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.647 7.634 -1.514 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.778 7.272 -1.886 1.00 0.00 H new ATOM 1350 N LEU A 86 -4.387 2.850 -5.661 1.00 0.00 N ATOM 1351 CA LEU A 86 -5.535 2.170 -6.373 1.00 0.00 C ATOM 1352 C LEU A 86 -6.661 2.861 -5.515 1.00 0.00 C ATOM 1353 O LEU A 86 -6.713 2.864 -4.284 1.00 0.00 O ATOM 1354 CB LEU A 86 -5.424 0.634 -6.105 1.00 0.00 C ATOM 1355 CG LEU A 86 -6.108 -0.279 -7.198 1.00 0.00 C ATOM 1356 CD1 LEU A 86 -7.655 -0.028 -7.480 1.00 0.00 C ATOM 1357 CD2 LEU A 86 -5.304 -0.407 -8.460 1.00 0.00 C ATOM 0 H LEU A 86 -4.518 2.952 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.640 2.256 -7.455 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.370 0.366 -6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.872 0.415 -5.136 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.103 -1.254 -6.710 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.001 -0.718 -8.249 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.223 -0.191 -6.564 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.801 0.997 -7.820 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.834 -1.047 -9.165 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.161 0.579 -8.902 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.333 -0.846 -8.230 1.00 0.00 H new ATOM 1369 N LYS A 87 -7.510 3.613 -6.308 1.00 0.00 N ATOM 1370 CA LYS A 87 -8.670 4.468 -5.908 1.00 0.00 C ATOM 1371 C LYS A 87 -9.973 3.911 -6.625 1.00 0.00 C ATOM 1372 O LYS A 87 -9.865 2.961 -7.411 1.00 0.00 O ATOM 1373 CB LYS A 87 -8.153 5.883 -6.175 1.00 0.00 C ATOM 1374 CG LYS A 87 -8.938 6.996 -5.489 1.00 0.00 C ATOM 1375 CD LYS A 87 -8.549 8.444 -5.952 1.00 0.00 C ATOM 1376 CE LYS A 87 -9.164 9.424 -4.978 1.00 0.00 C ATOM 1377 NZ LYS A 87 -8.757 10.805 -5.472 1.00 0.00 N ATOM 0 H LYS A 87 -7.381 3.630 -7.320 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.010 4.465 -4.872 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -7.113 5.941 -5.853 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.164 6.061 -7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.001 6.842 -5.674 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.788 6.919 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.465 8.559 -5.976 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -8.912 8.632 -6.963 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.249 9.321 -4.952 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.803 9.248 -3.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.152 11.530 -4.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -7.720 10.879 -5.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.121 10.950 -6.435 1.00 0.00 H new ATOM 1390 N ASP A 88 -11.108 4.507 -6.382 1.00 0.00 N ATOM 1391 CA ASP A 88 -12.326 4.540 -7.265 1.00 0.00 C ATOM 1392 C ASP A 88 -12.311 5.017 -8.752 1.00 0.00 C ATOM 1393 O ASP A 88 -13.354 5.473 -9.259 1.00 0.00 O ATOM 1394 CB ASP A 88 -13.490 5.190 -6.512 1.00 0.00 C ATOM 1395 CG ASP A 88 -13.560 6.727 -6.391 1.00 0.00 C ATOM 1396 OD1 ASP A 88 -14.299 7.459 -7.050 1.00 0.00 O ATOM 1397 OD2 ASP A 88 -12.760 7.175 -5.398 1.00 0.00 O ATOM 0 H ASP A 88 -11.255 5.026 -5.517 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.415 3.471 -7.456 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.412 4.859 -6.990 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.491 4.783 -5.501 1.00 0.00 H new ATOM 1403 N GLY A 89 -11.242 4.611 -9.450 1.00 0.00 N ATOM 1404 CA GLY A 89 -11.043 4.808 -10.923 1.00 0.00 C ATOM 1405 C GLY A 89 -9.805 4.133 -11.485 1.00 0.00 C ATOM 1406 O GLY A 89 -8.879 4.787 -11.980 1.00 0.00 O ATOM 0 H GLY A 89 -10.462 4.122 -9.010 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.919 4.429 -11.449 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.985 5.877 -11.130 1.00 0.00 H new ATOM 1410 N LYS A 90 -9.687 2.843 -11.252 1.00 0.00 N ATOM 1411 CA LYS A 90 -8.501 1.959 -11.634 1.00 0.00 C ATOM 1412 C LYS A 90 -7.128 2.397 -10.933 1.00 0.00 C ATOM 1413 O LYS A 90 -7.206 2.988 -9.839 1.00 0.00 O ATOM 1414 CB LYS A 90 -8.499 1.495 -13.114 1.00 0.00 C ATOM 1415 CG LYS A 90 -7.978 0.114 -13.314 1.00 0.00 C ATOM 1416 CD LYS A 90 -8.200 -0.558 -14.680 1.00 0.00 C ATOM 1417 CE LYS A 90 -9.692 -0.953 -14.995 1.00 0.00 C ATOM 1418 NZ LYS A 90 -9.858 -1.797 -16.170 1.00 0.00 N ATOM 0 H LYS A 90 -10.420 2.318 -10.775 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.645 0.986 -11.164 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.516 1.549 -13.502 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.897 2.188 -13.701 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.905 0.132 -13.123 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.426 -0.524 -12.553 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.846 0.115 -15.461 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.584 -1.456 -14.730 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.108 -1.470 -14.130 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -10.274 -0.042 -15.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -10.867 -2.009 -16.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -9.493 -1.301 -17.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -9.332 -2.684 -16.037 1.00 0.00 H new ATOM 1431 N LEU A 91 -5.978 1.908 -11.406 1.00 0.00 N ATOM 1432 CA LEU A 91 -4.606 2.385 -11.044 1.00 0.00 C ATOM 1433 C LEU A 91 -4.352 3.897 -11.265 1.00 0.00 C ATOM 1434 O LEU A 91 -4.267 4.321 -12.456 1.00 0.00 O ATOM 1435 CB LEU A 91 -3.660 1.488 -11.837 1.00 0.00 C ATOM 1436 CG LEU A 91 -2.172 1.806 -11.680 1.00 0.00 C ATOM 1437 CD1 LEU A 91 -1.754 1.842 -10.168 1.00 0.00 C ATOM 1438 CD2 LEU A 91 -1.226 0.676 -12.376 1.00 0.00 C ATOM 0 H LEU A 91 -5.957 1.140 -12.077 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.448 2.302 -9.969 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.828 0.454 -11.535 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.920 1.558 -12.893 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.033 2.775 -12.159 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.691 2.070 -10.090 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.329 2.609 -9.650 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.951 0.871 -9.713 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.178 0.944 -12.239 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.416 -0.293 -11.914 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.450 0.620 -13.441 1.00 0.00 H new ATOM 1450 N VAL A 92 -4.330 4.683 -10.191 1.00 0.00 N ATOM 1451 CA VAL A 92 -3.988 6.132 -10.064 1.00 0.00 C ATOM 1452 C VAL A 92 -2.474 6.471 -10.124 1.00 0.00 C ATOM 1453 O VAL A 92 -2.137 7.333 -10.854 1.00 0.00 O ATOM 1454 CB VAL A 92 -4.863 6.823 -8.973 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -6.401 6.785 -9.179 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -4.652 6.272 -7.509 1.00 0.00 C ATOM 0 H VAL A 92 -4.575 4.296 -9.280 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.285 6.627 -10.988 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.493 7.842 -9.092 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.892 7.299 -8.352 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.655 7.280 -10.116 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.738 5.749 -9.213 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.302 6.812 -6.820 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.896 5.210 -7.481 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.612 6.413 -7.213 1.00 0.00 H new ATOM 1466 N ASP A 93 -1.572 5.786 -9.296 1.00 0.00 N ATOM 1467 CA ASP A 93 -0.167 6.220 -9.147 1.00 0.00 C ATOM 1468 C ASP A 93 0.784 5.177 -8.511 1.00 0.00 C ATOM 1469 O ASP A 93 0.295 4.184 -8.006 1.00 0.00 O ATOM 1470 CB ASP A 93 -0.146 7.588 -8.404 1.00 0.00 C ATOM 1471 CG ASP A 93 0.932 8.585 -8.685 1.00 0.00 C ATOM 1472 OD1 ASP A 93 1.013 9.288 -9.728 1.00 0.00 O ATOM 1473 OD2 ASP A 93 1.858 8.597 -7.629 1.00 0.00 O ATOM 0 H ASP A 93 -1.816 4.959 -8.751 1.00 0.00 H new ATOM 0 HA ASP A 93 0.244 6.333 -10.150 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -1.099 8.078 -8.605 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -0.116 7.374 -7.336 1.00 0.00 H new ATOM 1479 N LYS A 94 2.073 5.397 -8.708 1.00 0.00 N ATOM 1480 CA LYS A 94 3.097 4.445 -8.353 1.00 0.00 C ATOM 1481 C LYS A 94 4.442 5.135 -8.101 1.00 0.00 C ATOM 1482 O LYS A 94 4.841 6.008 -8.899 1.00 0.00 O ATOM 1483 CB LYS A 94 3.168 3.313 -9.346 1.00 0.00 C ATOM 1484 CG LYS A 94 3.653 3.583 -10.863 1.00 0.00 C ATOM 1485 CD LYS A 94 2.901 4.501 -11.773 1.00 0.00 C ATOM 1486 CE LYS A 94 1.443 4.134 -12.109 1.00 0.00 C ATOM 1487 NZ LYS A 94 0.870 4.917 -13.232 1.00 0.00 N ATOM 0 H LYS A 94 2.436 6.254 -9.125 1.00 0.00 H new ATOM 0 HA LYS A 94 2.822 3.985 -7.404 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.832 2.557 -8.926 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.174 2.870 -9.400 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.674 3.960 -10.807 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.698 2.613 -11.358 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.903 5.494 -11.325 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.454 4.573 -12.710 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.393 3.073 -12.356 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.827 4.284 -11.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.111 4.616 -13.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.885 5.929 -12.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.434 4.756 -14.091 1.00 0.00 H new ATOM 1500 N THR A 95 5.200 4.591 -7.123 1.00 0.00 N ATOM 1501 CA THR A 95 6.593 5.018 -6.722 1.00 0.00 C ATOM 1502 C THR A 95 7.086 3.784 -5.826 1.00 0.00 C ATOM 1503 O THR A 95 6.404 3.104 -5.074 1.00 0.00 O ATOM 1504 CB THR A 95 6.527 6.393 -6.008 1.00 0.00 C ATOM 1505 OG1 THR A 95 5.964 7.488 -6.737 1.00 0.00 O ATOM 1506 CG2 THR A 95 7.883 6.917 -5.721 1.00 0.00 C ATOM 0 H THR A 95 4.861 3.811 -6.559 1.00 0.00 H new ATOM 0 HA THR A 95 7.299 5.196 -7.533 1.00 0.00 H new ATOM 0 HB THR A 95 5.904 6.137 -5.151 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.831 8.249 -6.134 1.00 0.00 H new ATOM 0 HG21 THR A 95 7.802 7.882 -5.220 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.415 6.217 -5.076 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.432 7.038 -6.655 1.00 0.00 H new ATOM 1514 N VAL A 96 8.423 3.576 -5.811 1.00 0.00 N ATOM 1515 CA VAL A 96 9.242 2.434 -5.245 1.00 0.00 C ATOM 1516 C VAL A 96 10.381 3.229 -4.511 1.00 0.00 C ATOM 1517 O VAL A 96 11.149 3.937 -5.113 1.00 0.00 O ATOM 1518 CB VAL A 96 9.584 1.396 -6.474 1.00 0.00 C ATOM 1519 CG1 VAL A 96 9.758 1.899 -7.960 1.00 0.00 C ATOM 1520 CG2 VAL A 96 10.803 0.539 -6.082 1.00 0.00 C ATOM 0 H VAL A 96 9.039 4.269 -6.237 1.00 0.00 H new ATOM 0 HA VAL A 96 8.809 1.741 -4.524 1.00 0.00 H new ATOM 0 HB VAL A 96 8.639 0.859 -6.556 1.00 0.00 H new ATOM 0 HG11 VAL A 96 9.979 1.051 -8.608 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.837 2.379 -8.292 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.578 2.616 -8.008 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.037 -0.153 -6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.660 1.187 -5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.576 -0.025 -5.177 1.00 0.00 H new ATOM 1530 N GLY A 97 10.222 3.310 -3.223 1.00 0.00 N ATOM 1531 CA GLY A 97 11.213 3.899 -2.342 1.00 0.00 C ATOM 1532 C GLY A 97 10.805 3.993 -0.831 1.00 0.00 C ATOM 1533 O GLY A 97 9.928 4.761 -0.461 1.00 0.00 O ATOM 0 H GLY A 97 9.392 2.967 -2.739 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.131 3.316 -2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 97 11.442 4.902 -2.701 1.00 0.00 H new ATOM 1537 N ALA A 98 11.538 3.197 -0.051 1.00 0.00 N ATOM 1538 CA ALA A 98 11.519 3.225 1.436 1.00 0.00 C ATOM 1539 C ALA A 98 12.250 4.486 2.058 1.00 0.00 C ATOM 1540 O ALA A 98 13.484 4.549 1.885 1.00 0.00 O ATOM 1541 CB ALA A 98 12.080 1.909 1.996 1.00 0.00 C ATOM 0 H ALA A 98 12.177 2.498 -0.429 1.00 0.00 H new ATOM 0 HA ALA A 98 10.476 3.324 1.738 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.062 1.940 3.085 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.471 1.076 1.646 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.106 1.776 1.654 1.00 0.00 H new ATOM 1547 N ASP A 99 11.469 5.487 2.609 1.00 0.00 N ATOM 1548 CA ASP A 99 12.012 6.771 3.090 1.00 0.00 C ATOM 1549 C ASP A 99 10.960 7.357 3.989 1.00 0.00 C ATOM 1550 O ASP A 99 9.901 7.749 3.546 1.00 0.00 O ATOM 1551 CB ASP A 99 12.198 7.651 1.770 1.00 0.00 C ATOM 1552 CG ASP A 99 13.216 8.750 1.839 1.00 0.00 C ATOM 1553 OD1 ASP A 99 14.260 8.795 1.276 1.00 0.00 O ATOM 1554 OD2 ASP A 99 12.833 9.753 2.680 1.00 0.00 O ATOM 0 H ASP A 99 10.458 5.405 2.721 1.00 0.00 H new ATOM 0 HA ASP A 99 12.952 6.702 3.637 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.469 6.985 0.951 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.235 8.093 1.516 1.00 0.00 H new ATOM 1560 N LYS A 100 11.305 7.441 5.265 1.00 0.00 N ATOM 1561 CA LYS A 100 10.519 8.034 6.311 1.00 0.00 C ATOM 1562 C LYS A 100 9.673 9.356 6.164 1.00 0.00 C ATOM 1563 O LYS A 100 8.499 9.380 6.507 1.00 0.00 O ATOM 1564 CB LYS A 100 11.297 8.101 7.677 1.00 0.00 C ATOM 1565 CG LYS A 100 12.514 9.027 7.698 1.00 0.00 C ATOM 1566 CD LYS A 100 13.464 8.734 8.923 1.00 0.00 C ATOM 1567 CE LYS A 100 14.663 9.741 8.895 1.00 0.00 C ATOM 1568 NZ LYS A 100 15.779 9.243 9.685 1.00 0.00 N ATOM 0 H LYS A 100 12.193 7.073 5.607 1.00 0.00 H new ATOM 0 HA LYS A 100 9.722 7.294 6.237 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.604 8.423 8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 100 11.624 7.095 7.939 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.074 8.910 6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.179 10.063 7.740 1.00 0.00 H new ATOM 0 HD2 LYS A 100 12.913 8.832 9.858 1.00 0.00 H new ATOM 0 HD3 LYS A 100 13.833 7.709 8.876 1.00 0.00 H new ATOM 0 HE2 LYS A 100 14.984 9.902 7.866 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.340 10.707 9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.561 9.928 9.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 15.475 9.113 10.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.099 8.332 9.298 1.00 0.00 H new ATOM 1581 N ASP A 101 10.328 10.400 5.713 1.00 0.00 N ATOM 1582 CA ASP A 101 9.771 11.632 5.160 1.00 0.00 C ATOM 1583 C ASP A 101 8.975 11.538 3.799 1.00 0.00 C ATOM 1584 O ASP A 101 7.982 12.202 3.570 1.00 0.00 O ATOM 1585 CB ASP A 101 10.890 12.707 5.320 1.00 0.00 C ATOM 1586 CG ASP A 101 11.982 12.820 4.274 1.00 0.00 C ATOM 1587 OD1 ASP A 101 13.104 12.356 4.384 1.00 0.00 O ATOM 1588 OD2 ASP A 101 11.549 13.660 3.251 1.00 0.00 O ATOM 0 H ASP A 101 11.348 10.420 5.720 1.00 0.00 H new ATOM 0 HA ASP A 101 8.892 11.948 5.722 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.400 13.679 5.385 1.00 0.00 H new ATOM 0 HB3 ASP A 101 11.376 12.530 6.279 1.00 0.00 H new ATOM 1594 N GLY A 102 9.580 10.867 2.807 1.00 0.00 N ATOM 1595 CA GLY A 102 9.087 10.605 1.438 1.00 0.00 C ATOM 1596 C GLY A 102 7.598 10.207 1.273 1.00 0.00 C ATOM 1597 O GLY A 102 6.739 10.883 0.693 1.00 0.00 O ATOM 0 H GLY A 102 10.504 10.458 2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 102 9.263 11.500 0.841 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.696 9.810 1.008 1.00 0.00 H new ATOM 1601 N LEU A 103 7.339 8.997 1.773 1.00 0.00 N ATOM 1602 CA LEU A 103 6.020 8.362 1.852 1.00 0.00 C ATOM 1603 C LEU A 103 4.840 9.218 2.475 1.00 0.00 C ATOM 1604 O LEU A 103 3.825 9.372 1.816 1.00 0.00 O ATOM 1605 CB LEU A 103 6.302 6.979 2.537 1.00 0.00 C ATOM 1606 CG LEU A 103 5.114 6.027 2.777 1.00 0.00 C ATOM 1607 CD1 LEU A 103 4.706 5.187 1.554 1.00 0.00 C ATOM 1608 CD2 LEU A 103 5.329 5.123 4.006 1.00 0.00 C ATOM 0 H LEU A 103 8.078 8.404 2.152 1.00 0.00 H new ATOM 0 HA LEU A 103 5.590 8.245 0.857 1.00 0.00 H new ATOM 0 HB2 LEU A 103 7.035 6.449 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.771 7.175 3.501 1.00 0.00 H new ATOM 0 HG LEU A 103 4.276 6.696 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.863 4.548 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.419 5.849 0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 103 5.547 4.568 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.465 4.471 4.133 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.223 4.517 3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.451 5.741 4.895 1.00 0.00 H new ATOM 1620 N PRO A 104 5.015 9.892 3.685 1.00 0.00 N ATOM 1621 CA PRO A 104 4.086 11.037 4.090 1.00 0.00 C ATOM 1622 C PRO A 104 3.845 12.296 3.158 1.00 0.00 C ATOM 1623 O PRO A 104 2.702 12.601 2.841 1.00 0.00 O ATOM 1624 CB PRO A 104 4.764 11.518 5.392 1.00 0.00 C ATOM 1625 CG PRO A 104 5.362 10.191 5.982 1.00 0.00 C ATOM 1626 CD PRO A 104 5.855 9.403 4.797 1.00 0.00 C ATOM 0 HA PRO A 104 3.074 10.633 4.101 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.539 12.259 5.195 1.00 0.00 H new ATOM 0 HB3 PRO A 104 4.049 11.978 6.074 1.00 0.00 H new ATOM 0 HG2 PRO A 104 6.175 10.403 6.677 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.607 9.634 6.536 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.914 9.581 4.609 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.734 8.331 4.950 1.00 0.00 H new ATOM 1634 N THR A 105 4.902 12.814 2.520 1.00 0.00 N ATOM 1635 CA THR A 105 4.815 13.794 1.402 1.00 0.00 C ATOM 1636 C THR A 105 3.967 13.397 0.118 1.00 0.00 C ATOM 1637 O THR A 105 2.970 14.091 -0.212 1.00 0.00 O ATOM 1638 CB THR A 105 6.287 14.176 1.103 1.00 0.00 C ATOM 1639 OG1 THR A 105 6.926 14.645 2.257 1.00 0.00 O ATOM 1640 CG2 THR A 105 6.368 15.245 0.040 1.00 0.00 C ATOM 0 H THR A 105 5.862 12.568 2.761 1.00 0.00 H new ATOM 0 HA THR A 105 4.208 14.641 1.722 1.00 0.00 H new ATOM 0 HB THR A 105 6.785 13.274 0.748 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.345 13.894 2.727 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.413 15.492 -0.148 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.910 14.880 -0.879 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.840 16.136 0.379 1.00 0.00 H new ATOM 1648 N LEU A 106 4.304 12.232 -0.539 1.00 0.00 N ATOM 1649 CA LEU A 106 3.476 11.559 -1.597 1.00 0.00 C ATOM 1650 C LEU A 106 2.001 11.138 -1.272 1.00 0.00 C ATOM 1651 O LEU A 106 1.114 11.360 -2.065 1.00 0.00 O ATOM 1652 CB LEU A 106 4.339 10.377 -2.040 1.00 0.00 C ATOM 1653 CG LEU A 106 3.916 9.451 -3.164 1.00 0.00 C ATOM 1654 CD1 LEU A 106 3.501 10.054 -4.513 1.00 0.00 C ATOM 1655 CD2 LEU A 106 4.934 8.332 -3.429 1.00 0.00 C ATOM 0 H LEU A 106 5.171 11.732 -0.342 1.00 0.00 H new ATOM 0 HA LEU A 106 3.259 12.297 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.312 10.784 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.494 9.753 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 106 2.989 9.071 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.229 9.254 -5.201 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.646 10.714 -4.369 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.333 10.623 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 106 4.578 7.701 -4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.894 8.770 -3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 106 5.054 7.729 -2.529 1.00 0.00 H new ATOM 1667 N VAL A 107 1.733 10.653 -0.043 1.00 0.00 N ATOM 1668 CA VAL A 107 0.370 10.466 0.592 1.00 0.00 C ATOM 1669 C VAL A 107 -0.503 11.732 0.737 1.00 0.00 C ATOM 1670 O VAL A 107 -1.677 11.772 0.367 1.00 0.00 O ATOM 1671 CB VAL A 107 0.332 9.448 1.779 1.00 0.00 C ATOM 1672 CG1 VAL A 107 -0.934 9.485 2.655 1.00 0.00 C ATOM 1673 CG2 VAL A 107 0.631 8.014 1.295 1.00 0.00 C ATOM 0 H VAL A 107 2.484 10.360 0.582 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.186 9.942 -0.186 1.00 0.00 H new ATOM 0 HB VAL A 107 1.128 9.784 2.443 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.852 8.739 3.445 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.040 10.474 3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.808 9.268 2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.597 7.329 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.115 7.716 0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.622 7.982 0.842 1.00 0.00 H new ATOM 1683 N ALA A 108 0.078 12.774 1.334 1.00 0.00 N ATOM 1684 CA ALA A 108 -0.514 14.141 1.380 1.00 0.00 C ATOM 1685 C ALA A 108 -1.012 14.798 0.094 1.00 0.00 C ATOM 1686 O ALA A 108 -2.186 15.184 -0.090 1.00 0.00 O ATOM 1687 CB ALA A 108 0.509 14.952 2.200 1.00 0.00 C ATOM 0 H ALA A 108 0.979 12.708 1.807 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.502 14.089 1.838 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.165 15.982 2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.611 14.512 3.192 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.475 14.936 1.695 1.00 0.00 H new ATOM 1693 N LYS A 109 -0.082 14.779 -0.880 1.00 0.00 N ATOM 1694 CA LYS A 109 -0.436 15.064 -2.309 1.00 0.00 C ATOM 1695 C LYS A 109 -1.548 14.187 -2.955 1.00 0.00 C ATOM 1696 O LYS A 109 -2.451 14.714 -3.602 1.00 0.00 O ATOM 1697 CB LYS A 109 0.870 14.940 -3.243 1.00 0.00 C ATOM 1698 CG LYS A 109 1.975 15.977 -3.038 1.00 0.00 C ATOM 1699 CD LYS A 109 3.273 15.778 -3.875 1.00 0.00 C ATOM 1700 CE LYS A 109 4.467 16.648 -3.413 1.00 0.00 C ATOM 1701 NZ LYS A 109 5.719 16.289 -4.130 1.00 0.00 N ATOM 0 H LYS A 109 0.905 14.575 -0.722 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.841 16.075 -2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.302 13.951 -3.091 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.548 14.990 -4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.567 16.961 -3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.246 15.983 -1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.564 14.729 -3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.056 16.004 -4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 109 4.238 17.700 -3.584 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.614 16.524 -2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.497 16.893 -3.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.951 15.292 -3.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.587 16.431 -5.152 1.00 0.00 H new ATOM 1714 N HIS A 110 -1.522 12.813 -2.690 1.00 0.00 N ATOM 1715 CA HIS A 110 -2.634 11.880 -2.969 1.00 0.00 C ATOM 1716 C HIS A 110 -4.061 12.020 -2.314 1.00 0.00 C ATOM 1717 O HIS A 110 -5.143 11.923 -2.947 1.00 0.00 O ATOM 1718 CB HIS A 110 -2.144 10.437 -2.948 1.00 0.00 C ATOM 1719 CG HIS A 110 -1.613 9.991 -4.307 1.00 0.00 C ATOM 1720 ND1 HIS A 110 -2.402 9.558 -5.365 1.00 0.00 N ATOM 1721 CD2 HIS A 110 -0.377 10.484 -4.823 1.00 0.00 C ATOM 1722 CE1 HIS A 110 -1.687 9.964 -6.460 1.00 0.00 C ATOM 1723 NE2 HIS A 110 -0.386 10.502 -6.235 1.00 0.00 N ATOM 0 H HIS A 110 -0.712 12.353 -2.276 1.00 0.00 H new ATOM 0 HA HIS A 110 -2.904 12.244 -3.960 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.358 10.332 -2.200 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -2.961 9.782 -2.646 1.00 0.00 H new ATOM 0 HD2 HIS A 110 0.456 10.802 -4.213 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -2.094 9.880 -7.457 1.00 0.00 H new ATOM 0 HE2 HIS A 110 0.327 10.809 -6.897 1.00 0.00 H new ATOM 1731 N ALA A 111 -4.050 12.256 -1.037 1.00 0.00 N ATOM 1732 CA ALA A 111 -5.191 12.763 -0.301 1.00 0.00 C ATOM 1733 C ALA A 111 -5.774 14.161 -0.762 1.00 0.00 C ATOM 1734 O ALA A 111 -6.990 14.309 -0.806 1.00 0.00 O ATOM 1735 CB ALA A 111 -4.702 12.818 1.162 1.00 0.00 C ATOM 0 H ALA A 111 -3.228 12.100 -0.453 1.00 0.00 H new ATOM 0 HA ALA A 111 -6.043 12.105 -0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.503 13.192 1.800 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.416 11.818 1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.841 13.483 1.233 1.00 0.00 H new