USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 866 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 23 LYS NZ :NH3+ 178:sc= 1.24 (180deg=-0.0598) USER MOD Set 1.2: A 27 SER OG : rot -104:sc= 1.02 USER MOD Set 2.1: A 22 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.49) USER MOD Set 2.2: A 25 ASN : amide:sc= 0.00519 X(o=-0.11,f=-0.49) USER MOD Set 3.1: A 13 THR OG1 : rot 171:sc= 0.927 USER MOD Set 3.2: A 16 THR OG1 : rot 95:sc= 0.813 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 11 CYS SG : rot 130:sc= -1.79! USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 20 GLN : amide:sc= -0.809 X(o=-0.81,f=-1.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 138:sc= 0.898 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -170:sc= -0.014 (180deg=-0.141) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.75) USER MOD Single : A 64 LYS NZ :NH3+ -134:sc= 1.01 (180deg=-1.47!) USER MOD Single : A 67 THR OG1 : rot 138:sc= 0.0591 USER MOD Single : A 71 LYS NZ :NH3+ 170:sc=-0.000606 (180deg=-0.124) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 1:sc= 0.208 USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 MET CE :methyl -130:sc= -0.914 (180deg=-1.97) USER MOD Single : A 84 THR OG1 : rot 65:sc= 1.02 USER MOD Single : A 86 MET CE :methyl -159:sc= -0.187 (180deg=-1.78) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ -164:sc= -0.0563 (180deg=-0.35) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0.845 K(o=0.84,f=-0.62) USER MOD Single : A 107 SER OG : rot 83:sc= 1.32 USER MOD Single : A 108 THR OG1 : rot 75:sc= 0.838 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 69 N GLY A 6 -4.024 0.226 -12.652 1.00 0.00 N ATOM 70 CA GLY A 6 -3.450 -0.914 -12.004 1.00 0.00 C ATOM 71 C GLY A 6 -2.015 -0.705 -11.628 1.00 0.00 C ATOM 72 O GLY A 6 -1.296 -1.668 -11.334 1.00 0.00 O ATOM 0 HA2 GLY A 6 -4.026 -1.145 -11.108 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -3.526 -1.778 -12.664 1.00 0.00 H new ATOM 76 N GLN A 7 -1.581 0.522 -11.629 1.00 0.00 N ATOM 77 CA GLN A 7 -0.227 0.794 -11.308 1.00 0.00 C ATOM 78 C GLN A 7 -0.037 1.071 -9.868 1.00 0.00 C ATOM 79 O GLN A 7 -0.815 1.777 -9.223 1.00 0.00 O ATOM 80 CB GLN A 7 0.410 1.866 -12.175 1.00 0.00 C ATOM 81 CG GLN A 7 -0.364 3.168 -12.279 1.00 0.00 C ATOM 82 CD GLN A 7 0.378 4.216 -13.080 1.00 0.00 C ATOM 83 OE1 GLN A 7 1.150 3.904 -13.985 1.00 0.00 O ATOM 84 NE2 GLN A 7 0.154 5.457 -12.761 1.00 0.00 N ATOM 0 H GLN A 7 -2.149 1.341 -11.849 1.00 0.00 H new ATOM 0 HA GLN A 7 0.308 -0.127 -11.540 1.00 0.00 H new ATOM 0 HB2 GLN A 7 1.403 2.084 -11.782 1.00 0.00 H new ATOM 0 HB3 GLN A 7 0.546 1.463 -13.179 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -1.331 2.977 -12.743 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -0.561 3.552 -11.278 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -0.493 5.680 -12.005 1.00 0.00 H new ATOM 0 HE22 GLN A 7 0.625 6.207 -13.267 1.00 0.00 H new ATOM 93 N VAL A 8 0.984 0.494 -9.380 1.00 0.00 N ATOM 94 CA VAL A 8 1.375 0.596 -8.016 1.00 0.00 C ATOM 95 C VAL A 8 2.687 1.315 -8.000 1.00 0.00 C ATOM 96 O VAL A 8 3.595 0.955 -8.752 1.00 0.00 O ATOM 97 CB VAL A 8 1.549 -0.818 -7.381 1.00 0.00 C ATOM 98 CG1 VAL A 8 1.981 -0.719 -5.931 1.00 0.00 C ATOM 99 CG2 VAL A 8 0.264 -1.630 -7.495 1.00 0.00 C ATOM 0 H VAL A 8 1.606 -0.092 -9.936 1.00 0.00 H new ATOM 0 HA VAL A 8 0.616 1.126 -7.440 1.00 0.00 H new ATOM 0 HB VAL A 8 2.333 -1.332 -7.937 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.094 -1.720 -5.516 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.933 -0.191 -5.870 1.00 0.00 H new ATOM 0 HG13 VAL A 8 1.227 -0.174 -5.363 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.413 -2.611 -7.045 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.542 -1.111 -6.976 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.001 -1.749 -8.546 1.00 0.00 H new ATOM 109 N ILE A 9 2.804 2.320 -7.195 1.00 0.00 N ATOM 110 CA ILE A 9 4.022 3.055 -7.159 1.00 0.00 C ATOM 111 C ILE A 9 4.985 2.385 -6.201 1.00 0.00 C ATOM 112 O ILE A 9 4.755 2.350 -4.994 1.00 0.00 O ATOM 113 CB ILE A 9 3.781 4.519 -6.744 1.00 0.00 C ATOM 114 CG1 ILE A 9 2.811 5.193 -7.729 1.00 0.00 C ATOM 115 CG2 ILE A 9 5.093 5.292 -6.661 1.00 0.00 C ATOM 116 CD1 ILE A 9 3.275 5.198 -9.176 1.00 0.00 C ATOM 0 H ILE A 9 2.077 2.648 -6.559 1.00 0.00 H new ATOM 0 HA ILE A 9 4.452 3.065 -8.160 1.00 0.00 H new ATOM 0 HB ILE A 9 3.333 4.525 -5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.848 4.686 -7.673 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.649 6.223 -7.410 1.00 0.00 H new ATOM 0 HG21 ILE A 9 4.891 6.322 -6.366 1.00 0.00 H new ATOM 0 HG22 ILE A 9 5.745 4.824 -5.923 1.00 0.00 H new ATOM 0 HG23 ILE A 9 5.583 5.283 -7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.528 5.693 -9.796 1.00 0.00 H new ATOM 0 HD12 ILE A 9 4.222 5.732 -9.253 1.00 0.00 H new ATOM 0 HD13 ILE A 9 3.408 4.172 -9.519 1.00 0.00 H new ATOM 128 N ALA A 10 6.038 1.847 -6.740 1.00 0.00 N ATOM 129 CA ALA A 10 7.031 1.182 -5.950 1.00 0.00 C ATOM 130 C ALA A 10 8.210 2.094 -5.749 1.00 0.00 C ATOM 131 O ALA A 10 8.969 2.370 -6.689 1.00 0.00 O ATOM 132 CB ALA A 10 7.461 -0.118 -6.613 1.00 0.00 C ATOM 0 H ALA A 10 6.233 1.857 -7.741 1.00 0.00 H new ATOM 0 HA ALA A 10 6.605 0.936 -4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.216 -0.608 -5.998 1.00 0.00 H new ATOM 0 HB2 ALA A 10 6.598 -0.775 -6.720 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.878 0.096 -7.597 1.00 0.00 H new ATOM 138 N CYS A 11 8.364 2.575 -4.553 1.00 0.00 N ATOM 139 CA CYS A 11 9.423 3.455 -4.244 1.00 0.00 C ATOM 140 C CYS A 11 10.656 2.727 -3.804 1.00 0.00 C ATOM 141 O CYS A 11 10.611 1.798 -2.990 1.00 0.00 O ATOM 142 CB CYS A 11 8.997 4.479 -3.212 1.00 0.00 C ATOM 143 SG CYS A 11 8.102 3.796 -1.802 1.00 0.00 S ATOM 0 H CYS A 11 7.750 2.360 -3.768 1.00 0.00 H new ATOM 0 HA CYS A 11 9.677 3.982 -5.164 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.883 4.998 -2.847 1.00 0.00 H new ATOM 0 HB3 CYS A 11 8.368 5.225 -3.698 1.00 0.00 H new ATOM 0 HG CYS A 11 8.634 4.230 -0.698 1.00 0.00 H new ATOM 149 N HIS A 12 11.742 3.117 -4.386 1.00 0.00 N ATOM 150 CA HIS A 12 13.035 2.637 -4.018 1.00 0.00 C ATOM 151 C HIS A 12 13.889 3.829 -3.626 1.00 0.00 C ATOM 152 O HIS A 12 15.082 3.706 -3.372 1.00 0.00 O ATOM 153 CB HIS A 12 13.687 1.819 -5.152 1.00 0.00 C ATOM 154 CG HIS A 12 12.968 0.528 -5.484 1.00 0.00 C ATOM 155 ND1 HIS A 12 13.387 -0.710 -5.039 1.00 0.00 N ATOM 156 CD2 HIS A 12 11.855 0.290 -6.225 1.00 0.00 C ATOM 157 CE1 HIS A 12 12.568 -1.641 -5.489 1.00 0.00 C ATOM 158 NE2 HIS A 12 11.632 -1.063 -6.208 1.00 0.00 N ATOM 0 H HIS A 12 11.756 3.794 -5.149 1.00 0.00 H new ATOM 0 HA HIS A 12 12.943 1.956 -3.172 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.733 2.436 -6.049 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.715 1.587 -4.872 1.00 0.00 H new ATOM 0 HD2 HIS A 12 11.256 1.030 -6.734 1.00 0.00 H new ATOM 0 HE1 HIS A 12 12.652 -2.701 -5.298 1.00 0.00 H new ATOM 0 HE2 HIS A 12 10.864 -1.543 -6.677 1.00 0.00 H new ATOM 167 N THR A 13 13.243 4.997 -3.568 1.00 0.00 N ATOM 168 CA THR A 13 13.881 6.222 -3.166 1.00 0.00 C ATOM 169 C THR A 13 12.937 6.933 -2.220 1.00 0.00 C ATOM 170 O THR A 13 11.714 6.669 -2.242 1.00 0.00 O ATOM 171 CB THR A 13 14.160 7.169 -4.378 1.00 0.00 C ATOM 172 OG1 THR A 13 12.928 7.509 -5.024 1.00 0.00 O ATOM 173 CG2 THR A 13 15.107 6.532 -5.387 1.00 0.00 C ATOM 0 H THR A 13 12.256 5.104 -3.803 1.00 0.00 H new ATOM 0 HA THR A 13 14.838 5.981 -2.703 1.00 0.00 H new ATOM 0 HB THR A 13 14.637 8.069 -3.991 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.090 8.212 -5.687 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.275 7.222 -6.214 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.057 6.307 -4.903 1.00 0.00 H new ATOM 0 HG23 THR A 13 14.667 5.610 -5.767 1.00 0.00 H new ATOM 181 N VAL A 14 13.461 7.810 -1.404 1.00 0.00 N ATOM 182 CA VAL A 14 12.638 8.565 -0.495 1.00 0.00 C ATOM 183 C VAL A 14 11.914 9.660 -1.279 1.00 0.00 C ATOM 184 O VAL A 14 10.816 10.058 -0.930 1.00 0.00 O ATOM 185 CB VAL A 14 13.472 9.190 0.650 1.00 0.00 C ATOM 186 CG1 VAL A 14 12.581 9.894 1.668 1.00 0.00 C ATOM 187 CG2 VAL A 14 14.346 8.143 1.333 1.00 0.00 C ATOM 0 H VAL A 14 14.458 8.020 -1.350 1.00 0.00 H new ATOM 0 HA VAL A 14 11.916 7.890 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 14 14.127 9.938 0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.199 10.321 2.458 1.00 0.00 H new ATOM 0 HG12 VAL A 14 12.022 10.689 1.174 1.00 0.00 H new ATOM 0 HG13 VAL A 14 11.885 9.176 2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 14 14.919 8.613 2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 14 13.715 7.359 1.752 1.00 0.00 H new ATOM 0 HG23 VAL A 14 15.029 7.708 0.604 1.00 0.00 H new ATOM 197 N GLU A 15 12.538 10.100 -2.371 1.00 0.00 N ATOM 198 CA GLU A 15 11.974 11.130 -3.250 1.00 0.00 C ATOM 199 C GLU A 15 10.607 10.689 -3.783 1.00 0.00 C ATOM 200 O GLU A 15 9.615 11.429 -3.671 1.00 0.00 O ATOM 201 CB GLU A 15 12.923 11.368 -4.424 1.00 0.00 C ATOM 202 CG GLU A 15 12.445 12.408 -5.426 1.00 0.00 C ATOM 203 CD GLU A 15 13.392 12.571 -6.592 1.00 0.00 C ATOM 204 OE1 GLU A 15 13.279 11.808 -7.582 1.00 0.00 O ATOM 205 OE2 GLU A 15 14.273 13.446 -6.532 1.00 0.00 O ATOM 0 H GLU A 15 13.449 9.754 -2.673 1.00 0.00 H new ATOM 0 HA GLU A 15 11.849 12.050 -2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 15 13.892 11.678 -4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.077 10.424 -4.946 1.00 0.00 H new ATOM 0 HG2 GLU A 15 11.461 12.122 -5.799 1.00 0.00 H new ATOM 0 HG3 GLU A 15 12.328 13.367 -4.921 1.00 0.00 H new ATOM 212 N THR A 16 10.563 9.487 -4.346 1.00 0.00 N ATOM 213 CA THR A 16 9.335 8.917 -4.880 1.00 0.00 C ATOM 214 C THR A 16 8.287 8.764 -3.769 1.00 0.00 C ATOM 215 O THR A 16 7.105 9.097 -3.957 1.00 0.00 O ATOM 216 CB THR A 16 9.624 7.549 -5.546 1.00 0.00 C ATOM 217 OG1 THR A 16 10.591 7.725 -6.591 1.00 0.00 O ATOM 218 CG2 THR A 16 8.370 6.934 -6.140 1.00 0.00 C ATOM 0 H THR A 16 11.378 8.882 -4.444 1.00 0.00 H new ATOM 0 HA THR A 16 8.937 9.594 -5.636 1.00 0.00 H new ATOM 0 HB THR A 16 10.003 6.878 -4.775 1.00 0.00 H new ATOM 0 HG1 THR A 16 11.487 7.537 -6.242 1.00 0.00 H new ATOM 0 HG21 THR A 16 8.616 5.976 -6.597 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.632 6.781 -5.353 1.00 0.00 H new ATOM 0 HG23 THR A 16 7.960 7.603 -6.897 1.00 0.00 H new ATOM 226 N TRP A 17 8.741 8.291 -2.618 1.00 0.00 N ATOM 227 CA TRP A 17 7.892 8.095 -1.450 1.00 0.00 C ATOM 228 C TRP A 17 7.289 9.427 -0.965 1.00 0.00 C ATOM 229 O TRP A 17 6.072 9.539 -0.762 1.00 0.00 O ATOM 230 CB TRP A 17 8.729 7.422 -0.344 1.00 0.00 C ATOM 231 CG TRP A 17 8.026 7.223 0.966 1.00 0.00 C ATOM 232 CD1 TRP A 17 8.408 7.730 2.166 1.00 0.00 C ATOM 233 CD2 TRP A 17 6.817 6.488 1.211 1.00 0.00 C ATOM 234 NE1 TRP A 17 7.533 7.343 3.142 1.00 0.00 N ATOM 235 CE2 TRP A 17 6.547 6.586 2.587 1.00 0.00 C ATOM 236 CE3 TRP A 17 5.943 5.758 0.410 1.00 0.00 C ATOM 237 CZ2 TRP A 17 5.445 5.983 3.176 1.00 0.00 C ATOM 238 CZ3 TRP A 17 4.845 5.163 1.001 1.00 0.00 C ATOM 239 CH2 TRP A 17 4.608 5.280 2.372 1.00 0.00 C ATOM 0 H TRP A 17 9.715 8.030 -2.466 1.00 0.00 H new ATOM 0 HA TRP A 17 7.053 7.452 -1.714 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.066 6.451 -0.707 1.00 0.00 H new ATOM 0 HB3 TRP A 17 9.621 8.024 -0.170 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.278 8.350 2.326 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.607 7.583 4.130 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.120 5.659 -0.651 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 5.260 6.070 4.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 4.157 4.597 0.391 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.740 4.801 2.801 1.00 0.00 H new ATOM 250 N ASN A 18 8.143 10.422 -0.823 1.00 0.00 N ATOM 251 CA ASN A 18 7.758 11.745 -0.324 1.00 0.00 C ATOM 252 C ASN A 18 6.737 12.394 -1.256 1.00 0.00 C ATOM 253 O ASN A 18 5.720 12.949 -0.808 1.00 0.00 O ATOM 254 CB ASN A 18 8.996 12.644 -0.238 1.00 0.00 C ATOM 255 CG ASN A 18 8.736 13.933 0.504 1.00 0.00 C ATOM 256 OD1 ASN A 18 8.312 14.940 -0.069 1.00 0.00 O ATOM 257 ND2 ASN A 18 9.013 13.919 1.776 1.00 0.00 N ATOM 0 H ASN A 18 9.134 10.343 -1.050 1.00 0.00 H new ATOM 0 HA ASN A 18 7.314 11.625 0.664 1.00 0.00 H new ATOM 0 HB2 ASN A 18 9.800 12.100 0.259 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.342 12.874 -1.246 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.881 14.761 2.336 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.362 13.066 2.213 1.00 0.00 H new ATOM 264 N GLU A 19 7.011 12.290 -2.552 1.00 0.00 N ATOM 265 CA GLU A 19 6.169 12.854 -3.591 1.00 0.00 C ATOM 266 C GLU A 19 4.747 12.303 -3.504 1.00 0.00 C ATOM 267 O GLU A 19 3.773 13.058 -3.574 1.00 0.00 O ATOM 268 CB GLU A 19 6.774 12.540 -4.955 1.00 0.00 C ATOM 269 CG GLU A 19 5.992 13.072 -6.131 1.00 0.00 C ATOM 270 CD GLU A 19 6.634 12.716 -7.434 1.00 0.00 C ATOM 271 OE1 GLU A 19 6.469 11.569 -7.889 1.00 0.00 O ATOM 272 OE2 GLU A 19 7.323 13.565 -8.022 1.00 0.00 O ATOM 0 H GLU A 19 7.834 11.806 -2.910 1.00 0.00 H new ATOM 0 HA GLU A 19 6.117 13.934 -3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.783 12.950 -4.992 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.865 11.459 -5.056 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.979 12.672 -6.104 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.909 14.156 -6.051 1.00 0.00 H new ATOM 279 N GLN A 20 4.641 10.995 -3.331 1.00 0.00 N ATOM 280 CA GLN A 20 3.385 10.333 -3.241 1.00 0.00 C ATOM 281 C GLN A 20 2.585 10.744 -2.031 1.00 0.00 C ATOM 282 O GLN A 20 1.397 10.999 -2.138 1.00 0.00 O ATOM 283 CB GLN A 20 3.595 8.862 -3.249 1.00 0.00 C ATOM 284 CG GLN A 20 3.947 8.286 -4.603 1.00 0.00 C ATOM 285 CD GLN A 20 2.807 8.442 -5.598 1.00 0.00 C ATOM 286 OE1 GLN A 20 1.640 8.451 -5.220 1.00 0.00 O ATOM 287 NE2 GLN A 20 3.128 8.571 -6.863 1.00 0.00 N ATOM 0 H GLN A 20 5.444 10.372 -3.250 1.00 0.00 H new ATOM 0 HA GLN A 20 2.800 10.632 -4.111 1.00 0.00 H new ATOM 0 HB2 GLN A 20 4.391 8.618 -2.546 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.689 8.376 -2.886 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.837 8.783 -4.989 1.00 0.00 H new ATOM 0 HG3 GLN A 20 4.193 7.230 -4.496 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.108 8.559 -7.144 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.397 8.683 -7.566 1.00 0.00 H new ATOM 296 N LEU A 21 3.230 10.824 -0.883 1.00 0.00 N ATOM 297 CA LEU A 21 2.571 11.172 0.319 1.00 0.00 C ATOM 298 C LEU A 21 2.027 12.568 0.280 1.00 0.00 C ATOM 299 O LEU A 21 0.874 12.793 0.661 1.00 0.00 O ATOM 300 CB LEU A 21 3.494 11.009 1.472 1.00 0.00 C ATOM 301 CG LEU A 21 3.956 9.602 1.821 1.00 0.00 C ATOM 302 CD1 LEU A 21 4.877 9.657 3.024 1.00 0.00 C ATOM 303 CD2 LEU A 21 2.765 8.692 2.102 1.00 0.00 C ATOM 0 H LEU A 21 4.229 10.645 -0.778 1.00 0.00 H new ATOM 0 HA LEU A 21 1.723 10.498 0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.380 11.614 1.279 1.00 0.00 H new ATOM 0 HB3 LEU A 21 3.007 11.429 2.352 1.00 0.00 H new ATOM 0 HG LEU A 21 4.498 9.188 0.971 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.208 8.649 3.275 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.743 10.277 2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.342 10.085 3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.121 7.692 2.349 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.192 9.090 2.940 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.129 8.642 1.218 1.00 0.00 H new ATOM 315 N GLN A 22 2.835 13.505 -0.166 1.00 0.00 N ATOM 316 CA GLN A 22 2.389 14.865 -0.270 1.00 0.00 C ATOM 317 C GLN A 22 1.232 14.954 -1.266 1.00 0.00 C ATOM 318 O GLN A 22 0.259 15.651 -1.028 1.00 0.00 O ATOM 319 CB GLN A 22 3.527 15.811 -0.670 1.00 0.00 C ATOM 320 CG GLN A 22 3.117 17.283 -0.704 1.00 0.00 C ATOM 321 CD GLN A 22 2.643 17.797 0.652 1.00 0.00 C ATOM 322 OE1 GLN A 22 1.453 17.727 0.990 1.00 0.00 O ATOM 323 NE2 GLN A 22 3.553 18.316 1.429 1.00 0.00 N ATOM 0 H GLN A 22 3.799 13.345 -0.460 1.00 0.00 H new ATOM 0 HA GLN A 22 2.042 15.184 0.713 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.353 15.689 0.031 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.898 15.523 -1.654 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.963 17.883 -1.039 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.321 17.417 -1.436 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.524 18.358 1.120 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.294 18.680 2.346 1.00 0.00 H new ATOM 332 N LYS A 23 1.328 14.193 -2.351 1.00 0.00 N ATOM 333 CA LYS A 23 0.293 14.192 -3.368 1.00 0.00 C ATOM 334 C LYS A 23 -1.003 13.599 -2.810 1.00 0.00 C ATOM 335 O LYS A 23 -2.093 14.122 -3.069 1.00 0.00 O ATOM 336 CB LYS A 23 0.744 13.409 -4.611 1.00 0.00 C ATOM 337 CG LYS A 23 -0.202 13.519 -5.806 1.00 0.00 C ATOM 338 CD LYS A 23 -0.313 14.964 -6.291 1.00 0.00 C ATOM 339 CE LYS A 23 -1.207 15.093 -7.514 1.00 0.00 C ATOM 340 NZ LYS A 23 -2.599 14.673 -7.247 1.00 0.00 N ATOM 0 H LYS A 23 2.113 13.571 -2.545 1.00 0.00 H new ATOM 0 HA LYS A 23 0.109 15.225 -3.664 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.730 13.764 -4.910 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.851 12.358 -4.344 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.158 12.887 -6.618 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.189 13.149 -5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -0.708 15.586 -5.487 1.00 0.00 H new ATOM 0 HD3 LYS A 23 0.681 15.343 -6.528 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.203 16.128 -7.855 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.798 14.489 -8.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -3.174 14.812 -8.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.613 13.668 -6.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -2.991 15.243 -6.470 1.00 0.00 H new ATOM 354 N ALA A 24 -0.886 12.528 -2.016 1.00 0.00 N ATOM 355 CA ALA A 24 -2.056 11.885 -1.444 1.00 0.00 C ATOM 356 C ALA A 24 -2.696 12.779 -0.399 1.00 0.00 C ATOM 357 O ALA A 24 -3.904 12.756 -0.205 1.00 0.00 O ATOM 358 CB ALA A 24 -1.687 10.536 -0.842 1.00 0.00 C ATOM 0 H ALA A 24 0.003 12.097 -1.761 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.779 11.716 -2.242 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.577 10.071 -0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.275 9.892 -1.619 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.944 10.679 -0.057 1.00 0.00 H new ATOM 364 N ASN A 25 -1.874 13.581 0.242 1.00 0.00 N ATOM 365 CA ASN A 25 -2.314 14.504 1.286 1.00 0.00 C ATOM 366 C ASN A 25 -3.010 15.689 0.673 1.00 0.00 C ATOM 367 O ASN A 25 -4.141 16.016 1.008 1.00 0.00 O ATOM 368 CB ASN A 25 -1.089 15.033 2.013 1.00 0.00 C ATOM 369 CG ASN A 25 -1.425 15.919 3.202 1.00 0.00 C ATOM 370 OD1 ASN A 25 -2.452 15.736 3.870 1.00 0.00 O ATOM 371 ND2 ASN A 25 -0.577 16.882 3.465 1.00 0.00 N ATOM 0 H ASN A 25 -0.871 13.617 0.058 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.989 13.976 1.960 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -0.488 14.191 2.356 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -0.475 15.598 1.311 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.751 17.516 4.245 1.00 0.00 H new ATOM 0 HD22 ASN A 25 0.257 16.998 2.890 1.00 0.00 H new ATOM 378 N GLU A 26 -2.312 16.310 -0.239 1.00 0.00 N ATOM 379 CA GLU A 26 -2.752 17.530 -0.899 1.00 0.00 C ATOM 380 C GLU A 26 -4.046 17.310 -1.699 1.00 0.00 C ATOM 381 O GLU A 26 -4.991 18.106 -1.612 1.00 0.00 O ATOM 382 CB GLU A 26 -1.633 18.013 -1.828 1.00 0.00 C ATOM 383 CG GLU A 26 -1.871 19.354 -2.476 1.00 0.00 C ATOM 384 CD GLU A 26 -1.974 20.473 -1.472 1.00 0.00 C ATOM 385 OE1 GLU A 26 -0.938 20.873 -0.909 1.00 0.00 O ATOM 386 OE2 GLU A 26 -3.085 20.978 -1.245 1.00 0.00 O ATOM 0 H GLU A 26 -1.400 15.982 -0.558 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.967 18.282 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.705 18.062 -1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.487 17.270 -2.612 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.058 19.567 -3.170 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.788 19.312 -3.063 1.00 0.00 H new ATOM 393 N SER A 27 -4.112 16.228 -2.428 1.00 0.00 N ATOM 394 CA SER A 27 -5.270 15.950 -3.228 1.00 0.00 C ATOM 395 C SER A 27 -6.288 15.117 -2.449 1.00 0.00 C ATOM 396 O SER A 27 -7.383 14.837 -2.945 1.00 0.00 O ATOM 397 CB SER A 27 -4.837 15.235 -4.491 1.00 0.00 C ATOM 398 OG SER A 27 -3.866 16.010 -5.201 1.00 0.00 O ATOM 0 H SER A 27 -3.375 15.525 -2.483 1.00 0.00 H new ATOM 0 HA SER A 27 -5.757 16.888 -3.494 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.419 14.261 -4.238 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.703 15.055 -5.128 1.00 0.00 H new ATOM 0 HG SER A 27 -4.289 16.434 -5.977 1.00 0.00 H new ATOM 404 N LYS A 28 -5.914 14.739 -1.219 1.00 0.00 N ATOM 405 CA LYS A 28 -6.740 13.920 -0.340 1.00 0.00 C ATOM 406 C LYS A 28 -7.227 12.653 -1.009 1.00 0.00 C ATOM 407 O LYS A 28 -8.419 12.348 -1.035 1.00 0.00 O ATOM 408 CB LYS A 28 -7.863 14.702 0.300 1.00 0.00 C ATOM 409 CG LYS A 28 -7.382 15.787 1.241 1.00 0.00 C ATOM 410 CD LYS A 28 -8.537 16.447 1.948 1.00 0.00 C ATOM 411 CE LYS A 28 -8.060 17.502 2.927 1.00 0.00 C ATOM 412 NZ LYS A 28 -9.189 18.139 3.637 1.00 0.00 N ATOM 0 H LYS A 28 -5.018 15.000 -0.808 1.00 0.00 H new ATOM 0 HA LYS A 28 -6.087 13.603 0.473 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.472 15.154 -0.482 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.507 14.015 0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.700 15.359 1.975 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.820 16.534 0.681 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.201 16.904 1.214 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -9.119 15.693 2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.384 17.047 3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.490 18.263 2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.824 18.855 4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.820 18.594 2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.718 17.417 4.166 1.00 0.00 H new ATOM 426 N THR A 29 -6.304 11.942 -1.564 1.00 0.00 N ATOM 427 CA THR A 29 -6.582 10.721 -2.235 1.00 0.00 C ATOM 428 C THR A 29 -6.366 9.576 -1.255 1.00 0.00 C ATOM 429 O THR A 29 -5.502 9.643 -0.374 1.00 0.00 O ATOM 430 CB THR A 29 -5.649 10.545 -3.431 1.00 0.00 C ATOM 431 OG1 THR A 29 -5.640 11.754 -4.207 1.00 0.00 O ATOM 432 CG2 THR A 29 -6.120 9.411 -4.327 1.00 0.00 C ATOM 0 H THR A 29 -5.317 12.200 -1.563 1.00 0.00 H new ATOM 0 HA THR A 29 -7.611 10.730 -2.596 1.00 0.00 H new ATOM 0 HB THR A 29 -4.653 10.315 -3.054 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.041 11.645 -4.975 1.00 0.00 H new ATOM 0 HG21 THR A 29 -5.438 9.307 -5.171 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.138 8.481 -3.758 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.122 9.630 -4.695 1.00 0.00 H new ATOM 440 N LEU A 30 -7.160 8.573 -1.374 1.00 0.00 N ATOM 441 CA LEU A 30 -7.072 7.422 -0.511 1.00 0.00 C ATOM 442 C LEU A 30 -5.916 6.559 -1.051 1.00 0.00 C ATOM 443 O LEU A 30 -5.853 6.293 -2.256 1.00 0.00 O ATOM 444 CB LEU A 30 -8.435 6.655 -0.536 1.00 0.00 C ATOM 445 CG LEU A 30 -8.687 5.483 0.468 1.00 0.00 C ATOM 446 CD1 LEU A 30 -10.116 5.002 0.334 1.00 0.00 C ATOM 447 CD2 LEU A 30 -7.755 4.301 0.242 1.00 0.00 C ATOM 0 H LEU A 30 -7.899 8.515 -2.075 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.876 7.693 0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.225 7.390 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.564 6.255 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.493 5.875 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.292 4.185 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.798 5.823 0.555 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -10.288 4.652 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.977 3.519 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.899 3.912 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.721 4.625 0.362 1.00 0.00 H new ATOM 459 N VAL A 31 -5.000 6.177 -0.194 1.00 0.00 N ATOM 460 CA VAL A 31 -3.870 5.394 -0.608 1.00 0.00 C ATOM 461 C VAL A 31 -3.719 4.132 0.253 1.00 0.00 C ATOM 462 O VAL A 31 -3.999 4.150 1.451 1.00 0.00 O ATOM 463 CB VAL A 31 -2.558 6.256 -0.620 1.00 0.00 C ATOM 464 CG1 VAL A 31 -2.259 6.854 0.732 1.00 0.00 C ATOM 465 CG2 VAL A 31 -1.365 5.479 -1.131 1.00 0.00 C ATOM 0 H VAL A 31 -5.019 6.400 0.801 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.049 5.063 -1.631 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.744 7.074 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.343 7.442 0.675 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.085 7.498 1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.133 6.056 1.463 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.482 6.119 -1.120 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.194 4.613 -0.491 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.558 5.145 -2.150 1.00 0.00 H new ATOM 475 N VAL A 32 -3.337 3.049 -0.376 1.00 0.00 N ATOM 476 CA VAL A 32 -3.051 1.811 0.304 1.00 0.00 C ATOM 477 C VAL A 32 -1.588 1.483 0.070 1.00 0.00 C ATOM 478 O VAL A 32 -1.135 1.412 -1.086 1.00 0.00 O ATOM 479 CB VAL A 32 -3.923 0.651 -0.206 1.00 0.00 C ATOM 480 CG1 VAL A 32 -3.618 -0.635 0.555 1.00 0.00 C ATOM 481 CG2 VAL A 32 -5.404 0.993 -0.116 1.00 0.00 C ATOM 0 H VAL A 32 -3.214 3.002 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.271 1.934 1.364 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.680 0.491 -1.256 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.247 -1.440 0.176 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.569 -0.899 0.418 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.819 -0.486 1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.994 0.154 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.668 1.195 0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.611 1.875 -0.722 1.00 0.00 H new ATOM 491 N VAL A 33 -0.840 1.313 1.131 1.00 0.00 N ATOM 492 CA VAL A 33 0.584 1.099 0.992 1.00 0.00 C ATOM 493 C VAL A 33 1.001 -0.288 1.490 1.00 0.00 C ATOM 494 O VAL A 33 0.623 -0.707 2.591 1.00 0.00 O ATOM 495 CB VAL A 33 1.399 2.182 1.751 1.00 0.00 C ATOM 496 CG1 VAL A 33 2.884 2.019 1.482 1.00 0.00 C ATOM 497 CG2 VAL A 33 0.938 3.589 1.380 1.00 0.00 C ATOM 0 H VAL A 33 -1.185 1.318 2.091 1.00 0.00 H new ATOM 0 HA VAL A 33 0.803 1.170 -0.073 1.00 0.00 H new ATOM 0 HB VAL A 33 1.221 2.044 2.818 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.438 2.787 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.208 1.034 1.817 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.073 2.119 0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.529 4.322 1.929 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.070 3.745 0.309 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -0.115 3.706 1.636 1.00 0.00 H new ATOM 507 N ASP A 34 1.756 -0.977 0.662 1.00 0.00 N ATOM 508 CA ASP A 34 2.343 -2.285 0.957 1.00 0.00 C ATOM 509 C ASP A 34 3.813 -2.127 1.304 1.00 0.00 C ATOM 510 O ASP A 34 4.610 -1.705 0.463 1.00 0.00 O ATOM 511 CB ASP A 34 2.188 -3.207 -0.273 1.00 0.00 C ATOM 512 CG ASP A 34 3.049 -4.474 -0.234 1.00 0.00 C ATOM 513 OD1 ASP A 34 2.883 -5.301 0.671 1.00 0.00 O ATOM 514 OD2 ASP A 34 3.905 -4.644 -1.148 1.00 0.00 O ATOM 0 H ASP A 34 1.992 -0.638 -0.271 1.00 0.00 H new ATOM 0 HA ASP A 34 1.827 -2.729 1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.141 -3.498 -0.363 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.440 -2.640 -1.169 1.00 0.00 H new ATOM 519 N PHE A 35 4.175 -2.404 2.537 1.00 0.00 N ATOM 520 CA PHE A 35 5.541 -2.323 2.928 1.00 0.00 C ATOM 521 C PHE A 35 6.115 -3.734 3.025 1.00 0.00 C ATOM 522 O PHE A 35 5.689 -4.528 3.884 1.00 0.00 O ATOM 523 CB PHE A 35 5.633 -1.696 4.320 1.00 0.00 C ATOM 524 CG PHE A 35 5.096 -0.295 4.482 1.00 0.00 C ATOM 525 CD1 PHE A 35 3.764 -0.077 4.818 1.00 0.00 C ATOM 526 CD2 PHE A 35 5.928 0.801 4.332 1.00 0.00 C ATOM 527 CE1 PHE A 35 3.277 1.202 4.995 1.00 0.00 C ATOM 528 CE2 PHE A 35 5.447 2.086 4.512 1.00 0.00 C ATOM 529 CZ PHE A 35 4.122 2.286 4.842 1.00 0.00 C ATOM 0 H PHE A 35 3.533 -2.686 3.277 1.00 0.00 H new ATOM 0 HA PHE A 35 6.088 -1.726 2.198 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.103 -2.344 5.018 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.681 -1.693 4.621 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.101 -0.921 4.942 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.965 0.651 4.071 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.239 1.356 5.252 1.00 0.00 H new ATOM 0 HE2 PHE A 35 6.108 2.932 4.394 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.745 3.289 4.981 1.00 0.00 H new ATOM 539 N THR A 36 7.055 -4.054 2.159 1.00 0.00 N ATOM 540 CA THR A 36 7.738 -5.319 2.221 1.00 0.00 C ATOM 541 C THR A 36 9.066 -5.257 1.451 1.00 0.00 C ATOM 542 O THR A 36 9.332 -4.283 0.747 1.00 0.00 O ATOM 543 CB THR A 36 6.857 -6.464 1.696 1.00 0.00 C ATOM 544 OG1 THR A 36 7.506 -7.718 1.910 1.00 0.00 O ATOM 545 CG2 THR A 36 6.572 -6.299 0.222 1.00 0.00 C ATOM 0 H THR A 36 7.361 -3.446 1.400 1.00 0.00 H new ATOM 0 HA THR A 36 7.955 -5.526 3.269 1.00 0.00 H new ATOM 0 HB THR A 36 5.913 -6.437 2.241 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.851 -8.376 2.224 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.947 -7.123 -0.122 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.053 -5.355 0.055 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.511 -6.299 -0.332 1.00 0.00 H new ATOM 553 N ALA A 37 9.864 -6.282 1.552 1.00 0.00 N ATOM 554 CA ALA A 37 11.082 -6.382 0.796 1.00 0.00 C ATOM 555 C ALA A 37 10.846 -7.313 -0.382 1.00 0.00 C ATOM 556 O ALA A 37 10.123 -8.303 -0.257 1.00 0.00 O ATOM 557 CB ALA A 37 12.212 -6.896 1.659 1.00 0.00 C ATOM 0 H ALA A 37 9.687 -7.078 2.165 1.00 0.00 H new ATOM 0 HA ALA A 37 11.368 -5.394 0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 37 13.123 -6.963 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 37 12.373 -6.213 2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 37 11.956 -7.884 2.043 1.00 0.00 H new ATOM 563 N SER A 38 11.439 -6.995 -1.510 1.00 0.00 N ATOM 564 CA SER A 38 11.270 -7.757 -2.750 1.00 0.00 C ATOM 565 C SER A 38 11.695 -9.253 -2.602 1.00 0.00 C ATOM 566 O SER A 38 11.262 -10.116 -3.382 1.00 0.00 O ATOM 567 CB SER A 38 12.049 -7.060 -3.888 1.00 0.00 C ATOM 568 OG SER A 38 11.825 -7.671 -5.149 1.00 0.00 O ATOM 0 H SER A 38 12.062 -6.193 -1.605 1.00 0.00 H new ATOM 0 HA SER A 38 10.208 -7.773 -2.994 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.754 -6.012 -3.938 1.00 0.00 H new ATOM 0 HB3 SER A 38 13.115 -7.081 -3.661 1.00 0.00 H new ATOM 0 HG SER A 38 12.336 -7.197 -5.838 1.00 0.00 H new ATOM 574 N TRP A 39 12.500 -9.556 -1.592 1.00 0.00 N ATOM 575 CA TRP A 39 12.966 -10.918 -1.366 1.00 0.00 C ATOM 576 C TRP A 39 12.021 -11.738 -0.467 1.00 0.00 C ATOM 577 O TRP A 39 12.345 -12.872 -0.087 1.00 0.00 O ATOM 578 CB TRP A 39 14.415 -10.940 -0.827 1.00 0.00 C ATOM 579 CG TRP A 39 14.670 -10.134 0.411 1.00 0.00 C ATOM 580 CD1 TRP A 39 15.225 -8.903 0.453 1.00 0.00 C ATOM 581 CD2 TRP A 39 14.403 -10.500 1.777 1.00 0.00 C ATOM 582 NE1 TRP A 39 15.320 -8.468 1.746 1.00 0.00 N ATOM 583 CE2 TRP A 39 14.819 -9.427 2.579 1.00 0.00 C ATOM 584 CE3 TRP A 39 13.848 -11.627 2.397 1.00 0.00 C ATOM 585 CZ2 TRP A 39 14.705 -9.443 3.963 1.00 0.00 C ATOM 586 CZ3 TRP A 39 13.733 -11.639 3.770 1.00 0.00 C ATOM 587 CH2 TRP A 39 14.160 -10.554 4.539 1.00 0.00 C ATOM 0 H TRP A 39 12.844 -8.875 -0.915 1.00 0.00 H new ATOM 0 HA TRP A 39 12.961 -11.405 -2.341 1.00 0.00 H new ATOM 0 HB2 TRP A 39 14.690 -11.975 -0.625 1.00 0.00 H new ATOM 0 HB3 TRP A 39 15.079 -10.581 -1.613 1.00 0.00 H new ATOM 0 HD1 TRP A 39 15.548 -8.342 -0.412 1.00 0.00 H new ATOM 0 HE1 TRP A 39 15.704 -7.570 2.041 1.00 0.00 H new ATOM 0 HE3 TRP A 39 13.516 -12.471 1.810 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 15.035 -8.607 4.562 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 13.306 -12.502 4.260 1.00 0.00 H new ATOM 0 HH2 TRP A 39 14.057 -10.595 5.613 1.00 0.00 H new ATOM 598 N CYS A 40 10.857 -11.197 -0.167 1.00 0.00 N ATOM 599 CA CYS A 40 9.894 -11.888 0.686 1.00 0.00 C ATOM 600 C CYS A 40 8.950 -12.763 -0.148 1.00 0.00 C ATOM 601 O CYS A 40 8.284 -12.277 -1.064 1.00 0.00 O ATOM 602 CB CYS A 40 9.094 -10.883 1.521 1.00 0.00 C ATOM 603 SG CYS A 40 7.779 -11.637 2.547 1.00 0.00 S ATOM 0 H CYS A 40 10.550 -10.282 -0.498 1.00 0.00 H new ATOM 0 HA CYS A 40 10.449 -12.537 1.363 1.00 0.00 H new ATOM 0 HB2 CYS A 40 9.780 -10.340 2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 40 8.642 -10.150 0.852 1.00 0.00 H new ATOM 608 N GLY A 41 8.906 -14.049 0.195 1.00 0.00 N ATOM 609 CA GLY A 41 8.106 -15.037 -0.525 1.00 0.00 C ATOM 610 C GLY A 41 6.597 -14.809 -0.441 1.00 0.00 C ATOM 611 O GLY A 41 5.968 -14.534 -1.461 1.00 0.00 O ATOM 0 H GLY A 41 9.426 -14.436 0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 41 8.404 -15.034 -1.573 1.00 0.00 H new ATOM 0 HA3 GLY A 41 8.334 -16.028 -0.132 1.00 0.00 H new ATOM 615 N PRO A 42 5.975 -14.914 0.772 1.00 0.00 N ATOM 616 CA PRO A 42 4.516 -14.706 0.944 1.00 0.00 C ATOM 617 C PRO A 42 4.084 -13.323 0.456 1.00 0.00 C ATOM 618 O PRO A 42 2.978 -13.136 -0.046 1.00 0.00 O ATOM 619 CB PRO A 42 4.318 -14.821 2.459 1.00 0.00 C ATOM 620 CG PRO A 42 5.460 -15.655 2.920 1.00 0.00 C ATOM 621 CD PRO A 42 6.622 -15.266 2.052 1.00 0.00 C ATOM 0 HA PRO A 42 3.924 -15.420 0.371 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.324 -13.841 2.936 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.363 -15.287 2.700 1.00 0.00 H new ATOM 0 HG2 PRO A 42 5.679 -15.473 3.972 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.235 -16.717 2.821 1.00 0.00 H new ATOM 0 HD2 PRO A 42 7.175 -14.425 2.470 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.331 -16.086 1.934 1.00 0.00 H new ATOM 629 N CYS A 43 4.981 -12.380 0.584 1.00 0.00 N ATOM 630 CA CYS A 43 4.757 -11.020 0.147 1.00 0.00 C ATOM 631 C CYS A 43 4.659 -10.977 -1.384 1.00 0.00 C ATOM 632 O CYS A 43 3.830 -10.284 -1.952 1.00 0.00 O ATOM 633 CB CYS A 43 5.911 -10.176 0.618 1.00 0.00 C ATOM 634 SG CYS A 43 6.235 -10.335 2.412 1.00 0.00 S ATOM 0 H CYS A 43 5.900 -12.533 0.999 1.00 0.00 H new ATOM 0 HA CYS A 43 3.825 -10.638 0.563 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.808 -10.458 0.067 1.00 0.00 H new ATOM 0 HB3 CYS A 43 5.708 -9.131 0.383 1.00 0.00 H new ATOM 639 N ARG A 44 5.496 -11.755 -2.036 1.00 0.00 N ATOM 640 CA ARG A 44 5.492 -11.859 -3.481 1.00 0.00 C ATOM 641 C ARG A 44 4.240 -12.601 -3.949 1.00 0.00 C ATOM 642 O ARG A 44 3.707 -12.331 -5.025 1.00 0.00 O ATOM 643 CB ARG A 44 6.772 -12.559 -3.944 1.00 0.00 C ATOM 644 CG ARG A 44 6.866 -12.822 -5.433 1.00 0.00 C ATOM 645 CD ARG A 44 8.229 -13.378 -5.793 1.00 0.00 C ATOM 646 NE ARG A 44 8.567 -14.595 -5.048 1.00 0.00 N ATOM 647 CZ ARG A 44 9.823 -15.004 -4.817 1.00 0.00 C ATOM 648 NH1 ARG A 44 10.853 -14.280 -5.256 1.00 0.00 N ATOM 649 NH2 ARG A 44 10.045 -16.118 -4.139 1.00 0.00 N ATOM 0 H ARG A 44 6.200 -12.335 -1.579 1.00 0.00 H new ATOM 0 HA ARG A 44 5.469 -10.864 -3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.627 -11.952 -3.645 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.857 -13.510 -3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 44 6.090 -13.526 -5.733 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.688 -11.898 -5.983 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.257 -13.593 -6.861 1.00 0.00 H new ATOM 0 HD3 ARG A 44 8.987 -12.619 -5.601 1.00 0.00 H new ATOM 0 HE ARG A 44 7.802 -15.164 -4.684 1.00 0.00 H new ATOM 0 HH11 ARG A 44 10.686 -13.414 -5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.808 -14.592 -5.080 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.260 -16.668 -3.791 1.00 0.00 H new ATOM 0 HH22 ARG A 44 11.001 -16.427 -3.965 1.00 0.00 H new ATOM 663 N PHE A 45 3.769 -13.508 -3.114 1.00 0.00 N ATOM 664 CA PHE A 45 2.571 -14.285 -3.387 1.00 0.00 C ATOM 665 C PHE A 45 1.307 -13.413 -3.304 1.00 0.00 C ATOM 666 O PHE A 45 0.367 -13.591 -4.082 1.00 0.00 O ATOM 667 CB PHE A 45 2.481 -15.465 -2.396 1.00 0.00 C ATOM 668 CG PHE A 45 1.264 -16.345 -2.560 1.00 0.00 C ATOM 669 CD1 PHE A 45 1.230 -17.321 -3.541 1.00 0.00 C ATOM 670 CD2 PHE A 45 0.158 -16.199 -1.727 1.00 0.00 C ATOM 671 CE1 PHE A 45 0.125 -18.137 -3.693 1.00 0.00 C ATOM 672 CE2 PHE A 45 -0.949 -17.009 -1.875 1.00 0.00 C ATOM 673 CZ PHE A 45 -0.967 -17.979 -2.860 1.00 0.00 C ATOM 0 H PHE A 45 4.209 -13.729 -2.221 1.00 0.00 H new ATOM 0 HA PHE A 45 2.636 -14.673 -4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.374 -16.081 -2.506 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.490 -15.069 -1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.079 -17.447 -4.197 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.167 -15.443 -0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.115 -18.896 -4.461 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.800 -16.885 -1.222 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.833 -18.613 -2.979 1.00 0.00 H new ATOM 683 N ILE A 46 1.303 -12.459 -2.388 1.00 0.00 N ATOM 684 CA ILE A 46 0.125 -11.620 -2.169 1.00 0.00 C ATOM 685 C ILE A 46 0.157 -10.391 -3.124 1.00 0.00 C ATOM 686 O ILE A 46 -0.868 -9.741 -3.381 1.00 0.00 O ATOM 687 CB ILE A 46 0.063 -11.149 -0.665 1.00 0.00 C ATOM 688 CG1 ILE A 46 -1.283 -10.533 -0.311 1.00 0.00 C ATOM 689 CG2 ILE A 46 1.180 -10.189 -0.325 1.00 0.00 C ATOM 690 CD1 ILE A 46 -2.396 -11.542 -0.278 1.00 0.00 C ATOM 0 H ILE A 46 2.096 -12.243 -1.784 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.769 -12.205 -2.385 1.00 0.00 H new ATOM 0 HB ILE A 46 0.192 -12.049 -0.063 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.210 -10.048 0.662 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.524 -9.757 -1.037 1.00 0.00 H new ATOM 0 HG21 ILE A 46 1.098 -9.891 0.720 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.141 -10.676 -0.489 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.107 -9.307 -0.961 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.331 -11.044 -0.020 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.492 -12.010 -1.258 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.173 -12.305 0.468 1.00 0.00 H new ATOM 702 N ALA A 47 1.339 -10.121 -3.665 1.00 0.00 N ATOM 703 CA ALA A 47 1.587 -8.981 -4.556 1.00 0.00 C ATOM 704 C ALA A 47 0.671 -8.914 -5.818 1.00 0.00 C ATOM 705 O ALA A 47 0.145 -7.836 -6.125 1.00 0.00 O ATOM 706 CB ALA A 47 3.059 -8.899 -4.942 1.00 0.00 C ATOM 0 H ALA A 47 2.167 -10.692 -3.498 1.00 0.00 H new ATOM 0 HA ALA A 47 1.316 -8.104 -3.969 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.215 -8.046 -5.602 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.665 -8.778 -4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 47 3.352 -9.814 -5.456 1.00 0.00 H new ATOM 712 N PRO A 48 0.459 -10.035 -6.592 1.00 0.00 N ATOM 713 CA PRO A 48 -0.397 -10.009 -7.797 1.00 0.00 C ATOM 714 C PRO A 48 -1.845 -9.614 -7.477 1.00 0.00 C ATOM 715 O PRO A 48 -2.543 -9.023 -8.314 1.00 0.00 O ATOM 716 CB PRO A 48 -0.335 -11.451 -8.318 1.00 0.00 C ATOM 717 CG PRO A 48 0.916 -12.001 -7.745 1.00 0.00 C ATOM 718 CD PRO A 48 1.037 -11.381 -6.392 1.00 0.00 C ATOM 0 HA PRO A 48 -0.054 -9.269 -8.520 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -1.204 -12.026 -7.998 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -0.318 -11.479 -9.408 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.873 -13.088 -7.677 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.775 -11.755 -8.369 1.00 0.00 H new ATOM 0 HD2 PRO A 48 0.490 -11.947 -5.638 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.075 -11.330 -6.062 1.00 0.00 H new ATOM 726 N PHE A 49 -2.277 -9.916 -6.266 1.00 0.00 N ATOM 727 CA PHE A 49 -3.616 -9.571 -5.824 1.00 0.00 C ATOM 728 C PHE A 49 -3.700 -8.077 -5.522 1.00 0.00 C ATOM 729 O PHE A 49 -4.714 -7.432 -5.776 1.00 0.00 O ATOM 730 CB PHE A 49 -4.014 -10.405 -4.596 1.00 0.00 C ATOM 731 CG PHE A 49 -5.391 -10.111 -4.086 1.00 0.00 C ATOM 732 CD1 PHE A 49 -6.506 -10.551 -4.778 1.00 0.00 C ATOM 733 CD2 PHE A 49 -5.572 -9.400 -2.915 1.00 0.00 C ATOM 734 CE1 PHE A 49 -7.773 -10.283 -4.313 1.00 0.00 C ATOM 735 CE2 PHE A 49 -6.835 -9.130 -2.447 1.00 0.00 C ATOM 736 CZ PHE A 49 -7.941 -9.572 -3.146 1.00 0.00 C ATOM 0 H PHE A 49 -1.716 -10.403 -5.567 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.319 -9.800 -6.624 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -3.949 -11.463 -4.850 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.295 -10.225 -3.797 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.380 -11.111 -5.693 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.712 -9.053 -2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -8.635 -10.630 -4.863 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.963 -8.572 -1.532 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.934 -9.361 -2.778 1.00 0.00 H new ATOM 746 N PHE A 50 -2.618 -7.531 -5.008 1.00 0.00 N ATOM 747 CA PHE A 50 -2.532 -6.106 -4.707 1.00 0.00 C ATOM 748 C PHE A 50 -2.515 -5.327 -6.029 1.00 0.00 C ATOM 749 O PHE A 50 -3.055 -4.226 -6.134 1.00 0.00 O ATOM 750 CB PHE A 50 -1.266 -5.840 -3.874 1.00 0.00 C ATOM 751 CG PHE A 50 -1.128 -4.442 -3.333 1.00 0.00 C ATOM 752 CD1 PHE A 50 -1.728 -4.096 -2.133 1.00 0.00 C ATOM 753 CD2 PHE A 50 -0.387 -3.487 -4.004 1.00 0.00 C ATOM 754 CE1 PHE A 50 -1.593 -2.828 -1.615 1.00 0.00 C ATOM 755 CE2 PHE A 50 -0.252 -2.213 -3.489 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.854 -1.883 -2.292 1.00 0.00 C ATOM 0 H PHE A 50 -1.772 -8.056 -4.785 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.392 -5.777 -4.123 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.250 -6.538 -3.037 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.394 -6.060 -4.490 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.310 -4.831 -1.597 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.090 -3.740 -4.939 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.066 -2.574 -0.678 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.326 -1.474 -4.024 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.746 -0.887 -1.887 1.00 0.00 H new ATOM 766 N ALA A 51 -1.907 -5.930 -7.039 1.00 0.00 N ATOM 767 CA ALA A 51 -1.868 -5.362 -8.382 1.00 0.00 C ATOM 768 C ALA A 51 -3.266 -5.393 -9.013 1.00 0.00 C ATOM 769 O ALA A 51 -3.596 -4.566 -9.878 1.00 0.00 O ATOM 770 CB ALA A 51 -0.878 -6.120 -9.245 1.00 0.00 C ATOM 0 H ALA A 51 -1.427 -6.826 -6.953 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.543 -4.324 -8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.859 -5.685 -10.244 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.116 -6.054 -8.802 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.178 -7.166 -9.310 1.00 0.00 H new ATOM 776 N ASP A 52 -4.069 -6.351 -8.578 1.00 0.00 N ATOM 777 CA ASP A 52 -5.456 -6.498 -9.036 1.00 0.00 C ATOM 778 C ASP A 52 -6.283 -5.419 -8.402 1.00 0.00 C ATOM 779 O ASP A 52 -7.074 -4.744 -9.068 1.00 0.00 O ATOM 780 CB ASP A 52 -5.998 -7.859 -8.628 1.00 0.00 C ATOM 781 CG ASP A 52 -7.391 -8.134 -9.156 1.00 0.00 C ATOM 782 OD1 ASP A 52 -7.527 -8.475 -10.354 1.00 0.00 O ATOM 783 OD2 ASP A 52 -8.359 -8.013 -8.395 1.00 0.00 O ATOM 0 H ASP A 52 -3.784 -7.054 -7.896 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.496 -6.416 -10.122 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -5.321 -8.634 -8.988 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.010 -7.926 -7.540 1.00 0.00 H new ATOM 788 N LEU A 53 -6.074 -5.254 -7.106 1.00 0.00 N ATOM 789 CA LEU A 53 -6.678 -4.211 -6.317 1.00 0.00 C ATOM 790 C LEU A 53 -6.421 -2.845 -6.935 1.00 0.00 C ATOM 791 O LEU A 53 -7.320 -2.004 -7.002 1.00 0.00 O ATOM 792 CB LEU A 53 -6.113 -4.264 -4.894 1.00 0.00 C ATOM 793 CG LEU A 53 -6.621 -5.362 -3.966 1.00 0.00 C ATOM 794 CD1 LEU A 53 -5.861 -5.325 -2.645 1.00 0.00 C ATOM 795 CD2 LEU A 53 -8.110 -5.179 -3.696 1.00 0.00 C ATOM 0 H LEU A 53 -5.460 -5.864 -6.565 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.756 -4.368 -6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.030 -4.363 -4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.314 -3.304 -4.418 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.459 -6.325 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.232 -6.113 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.798 -5.479 -2.832 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.009 -4.357 -2.167 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -8.459 -5.970 -3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.278 -4.210 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.659 -5.226 -4.637 1.00 0.00 H new ATOM 807 N ALA A 54 -5.204 -2.648 -7.406 1.00 0.00 N ATOM 808 CA ALA A 54 -4.799 -1.408 -8.037 1.00 0.00 C ATOM 809 C ALA A 54 -5.627 -1.098 -9.285 1.00 0.00 C ATOM 810 O ALA A 54 -5.943 0.063 -9.560 1.00 0.00 O ATOM 811 CB ALA A 54 -3.320 -1.436 -8.358 1.00 0.00 C ATOM 0 H ALA A 54 -4.465 -3.349 -7.361 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.986 -0.603 -7.327 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.033 -0.497 -8.831 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.750 -1.568 -7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.110 -2.263 -9.036 1.00 0.00 H new ATOM 817 N LYS A 55 -5.980 -2.120 -10.049 1.00 0.00 N ATOM 818 CA LYS A 55 -6.793 -1.901 -11.228 1.00 0.00 C ATOM 819 C LYS A 55 -8.246 -1.739 -10.808 1.00 0.00 C ATOM 820 O LYS A 55 -8.989 -0.954 -11.391 1.00 0.00 O ATOM 821 CB LYS A 55 -6.594 -3.052 -12.254 1.00 0.00 C ATOM 822 CG LYS A 55 -7.292 -2.886 -13.635 1.00 0.00 C ATOM 823 CD LYS A 55 -8.816 -3.045 -13.583 1.00 0.00 C ATOM 824 CE LYS A 55 -9.470 -2.866 -14.951 1.00 0.00 C ATOM 825 NZ LYS A 55 -9.210 -1.529 -15.539 1.00 0.00 N ATOM 0 H LYS A 55 -5.721 -3.091 -9.876 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.482 -0.985 -11.730 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.524 -3.173 -12.426 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.951 -3.977 -11.801 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.053 -1.901 -14.036 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.883 -3.621 -14.329 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -9.062 -4.033 -13.193 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.231 -2.315 -12.887 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.100 -3.635 -15.629 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.546 -3.014 -14.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -9.809 -1.397 -16.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.430 -0.793 -14.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -8.209 -1.459 -15.813 1.00 0.00 H new ATOM 839 N LYS A 56 -8.622 -2.452 -9.774 1.00 0.00 N ATOM 840 CA LYS A 56 -9.984 -2.457 -9.297 1.00 0.00 C ATOM 841 C LYS A 56 -10.393 -1.082 -8.754 1.00 0.00 C ATOM 842 O LYS A 56 -11.520 -0.639 -8.964 1.00 0.00 O ATOM 843 CB LYS A 56 -10.155 -3.549 -8.239 1.00 0.00 C ATOM 844 CG LYS A 56 -11.567 -3.704 -7.705 1.00 0.00 C ATOM 845 CD LYS A 56 -11.647 -4.800 -6.655 1.00 0.00 C ATOM 846 CE LYS A 56 -11.312 -6.178 -7.225 1.00 0.00 C ATOM 847 NZ LYS A 56 -11.337 -7.223 -6.175 1.00 0.00 N ATOM 0 H LYS A 56 -7.990 -3.047 -9.238 1.00 0.00 H new ATOM 0 HA LYS A 56 -10.646 -2.675 -10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -9.836 -4.500 -8.665 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -9.488 -3.334 -7.404 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.900 -2.760 -7.273 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.245 -3.935 -8.527 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.960 -4.570 -5.840 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.650 -4.820 -6.230 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -12.026 -6.432 -8.009 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.326 -6.151 -7.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.105 -8.145 -6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.638 -6.993 -5.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -12.285 -7.265 -5.750 1.00 0.00 H new ATOM 861 N LEU A 57 -9.485 -0.417 -8.070 1.00 0.00 N ATOM 862 CA LEU A 57 -9.745 0.896 -7.550 1.00 0.00 C ATOM 863 C LEU A 57 -8.909 1.960 -8.266 1.00 0.00 C ATOM 864 O LEU A 57 -7.734 2.149 -7.965 1.00 0.00 O ATOM 865 CB LEU A 57 -9.521 0.913 -6.057 1.00 0.00 C ATOM 866 CG LEU A 57 -10.524 0.100 -5.244 1.00 0.00 C ATOM 867 CD1 LEU A 57 -10.085 -0.011 -3.795 1.00 0.00 C ATOM 868 CD2 LEU A 57 -11.905 0.746 -5.313 1.00 0.00 C ATOM 0 H LEU A 57 -8.553 -0.775 -7.863 1.00 0.00 H new ATOM 0 HA LEU A 57 -10.789 1.144 -7.740 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.519 0.536 -5.851 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.550 1.947 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.571 -0.902 -5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.817 -0.595 -3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.114 -0.503 -3.746 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.009 0.986 -3.361 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.612 0.157 -4.729 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.854 1.757 -4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -12.236 0.786 -6.351 1.00 0.00 H new ATOM 880 N PRO A 58 -9.511 2.640 -9.256 1.00 0.00 N ATOM 881 CA PRO A 58 -8.832 3.659 -10.072 1.00 0.00 C ATOM 882 C PRO A 58 -8.483 4.957 -9.321 1.00 0.00 C ATOM 883 O PRO A 58 -7.439 5.560 -9.575 1.00 0.00 O ATOM 884 CB PRO A 58 -9.840 3.948 -11.191 1.00 0.00 C ATOM 885 CG PRO A 58 -11.162 3.603 -10.600 1.00 0.00 C ATOM 886 CD PRO A 58 -10.909 2.435 -9.692 1.00 0.00 C ATOM 0 HA PRO A 58 -7.864 3.291 -10.411 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.803 4.993 -11.498 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.632 3.348 -12.077 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.576 4.446 -10.047 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -11.883 3.346 -11.376 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.597 2.426 -8.847 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.033 1.486 -10.213 1.00 0.00 H new ATOM 894 N ASN A 59 -9.331 5.379 -8.400 1.00 0.00 N ATOM 895 CA ASN A 59 -9.114 6.654 -7.701 1.00 0.00 C ATOM 896 C ASN A 59 -8.369 6.419 -6.382 1.00 0.00 C ATOM 897 O ASN A 59 -8.227 7.309 -5.546 1.00 0.00 O ATOM 898 CB ASN A 59 -10.457 7.377 -7.462 1.00 0.00 C ATOM 899 CG ASN A 59 -10.307 8.797 -6.891 1.00 0.00 C ATOM 900 OD1 ASN A 59 -9.325 9.501 -7.160 1.00 0.00 O ATOM 901 ND2 ASN A 59 -11.263 9.217 -6.094 1.00 0.00 N ATOM 0 H ASN A 59 -10.169 4.872 -8.114 1.00 0.00 H new ATOM 0 HA ASN A 59 -8.496 7.296 -8.329 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -11.002 7.431 -8.404 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.062 6.783 -6.777 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -11.208 10.147 -5.678 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -12.060 8.613 -5.891 1.00 0.00 H new ATOM 908 N VAL A 60 -7.889 5.225 -6.208 1.00 0.00 N ATOM 909 CA VAL A 60 -7.135 4.879 -5.036 1.00 0.00 C ATOM 910 C VAL A 60 -5.686 4.661 -5.431 1.00 0.00 C ATOM 911 O VAL A 60 -5.402 4.025 -6.449 1.00 0.00 O ATOM 912 CB VAL A 60 -7.715 3.620 -4.329 1.00 0.00 C ATOM 913 CG1 VAL A 60 -6.879 3.232 -3.116 1.00 0.00 C ATOM 914 CG2 VAL A 60 -9.161 3.871 -3.911 1.00 0.00 C ATOM 0 H VAL A 60 -8.008 4.461 -6.873 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.201 5.698 -4.320 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.685 2.793 -5.038 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.310 2.349 -2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.859 3.013 -3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.869 4.056 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.556 2.983 -3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.200 4.716 -3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -9.761 4.093 -4.793 1.00 0.00 H new ATOM 924 N LEU A 61 -4.788 5.220 -4.666 1.00 0.00 N ATOM 925 CA LEU A 61 -3.393 5.105 -4.920 1.00 0.00 C ATOM 926 C LEU A 61 -2.850 3.882 -4.220 1.00 0.00 C ATOM 927 O LEU A 61 -3.207 3.607 -3.076 1.00 0.00 O ATOM 928 CB LEU A 61 -2.676 6.342 -4.401 1.00 0.00 C ATOM 929 CG LEU A 61 -3.060 7.686 -5.018 1.00 0.00 C ATOM 930 CD1 LEU A 61 -2.284 8.810 -4.349 1.00 0.00 C ATOM 931 CD2 LEU A 61 -2.809 7.690 -6.520 1.00 0.00 C ATOM 0 H LEU A 61 -5.016 5.774 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.230 5.013 -5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.845 6.404 -3.326 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.606 6.197 -4.547 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.126 7.845 -4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.566 9.763 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.514 8.827 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.215 8.646 -4.487 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.091 8.658 -6.933 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.752 7.507 -6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.404 6.907 -6.990 1.00 0.00 H new ATOM 943 N PHE A 62 -2.031 3.140 -4.895 1.00 0.00 N ATOM 944 CA PHE A 62 -1.414 1.988 -4.303 1.00 0.00 C ATOM 945 C PHE A 62 0.069 2.115 -4.406 1.00 0.00 C ATOM 946 O PHE A 62 0.612 2.454 -5.465 1.00 0.00 O ATOM 947 CB PHE A 62 -1.871 0.690 -4.940 1.00 0.00 C ATOM 948 CG PHE A 62 -3.345 0.404 -4.785 1.00 0.00 C ATOM 949 CD1 PHE A 62 -4.275 0.973 -5.635 1.00 0.00 C ATOM 950 CD2 PHE A 62 -3.793 -0.434 -3.778 1.00 0.00 C ATOM 951 CE1 PHE A 62 -5.621 0.711 -5.485 1.00 0.00 C ATOM 952 CE2 PHE A 62 -5.135 -0.698 -3.623 1.00 0.00 C ATOM 953 CZ PHE A 62 -6.051 -0.126 -4.477 1.00 0.00 C ATOM 0 H PHE A 62 -1.770 3.311 -5.866 1.00 0.00 H new ATOM 0 HA PHE A 62 -1.719 1.951 -3.257 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -1.628 0.716 -6.002 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.306 -0.133 -4.504 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.944 1.630 -6.426 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -3.080 -0.887 -3.105 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -6.337 1.161 -6.156 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.469 -1.353 -2.832 1.00 0.00 H new ATOM 0 HZ PHE A 62 -7.104 -0.332 -4.358 1.00 0.00 H new ATOM 963 N LEU A 63 0.711 1.864 -3.329 1.00 0.00 N ATOM 964 CA LEU A 63 2.146 1.987 -3.228 1.00 0.00 C ATOM 965 C LEU A 63 2.773 0.743 -2.687 1.00 0.00 C ATOM 966 O LEU A 63 2.156 -0.005 -1.931 1.00 0.00 O ATOM 967 CB LEU A 63 2.580 3.187 -2.366 1.00 0.00 C ATOM 968 CG LEU A 63 2.598 4.593 -3.006 1.00 0.00 C ATOM 969 CD1 LEU A 63 1.233 5.057 -3.475 1.00 0.00 C ATOM 970 CD2 LEU A 63 3.188 5.585 -2.038 1.00 0.00 C ATOM 0 H LEU A 63 0.261 1.560 -2.466 1.00 0.00 H new ATOM 0 HA LEU A 63 2.496 2.153 -4.247 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.920 3.227 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.583 2.981 -1.994 1.00 0.00 H new ATOM 0 HG LEU A 63 3.220 4.528 -3.899 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.318 6.051 -3.914 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.849 4.362 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.549 5.092 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.199 6.575 -2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.586 5.610 -1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.207 5.289 -1.789 1.00 0.00 H new ATOM 982 N LYS A 64 3.991 0.533 -3.078 1.00 0.00 N ATOM 983 CA LYS A 64 4.771 -0.575 -2.641 1.00 0.00 C ATOM 984 C LYS A 64 6.100 -0.011 -2.179 1.00 0.00 C ATOM 985 O LYS A 64 6.851 0.566 -2.964 1.00 0.00 O ATOM 986 CB LYS A 64 4.956 -1.575 -3.816 1.00 0.00 C ATOM 987 CG LYS A 64 5.535 -2.949 -3.447 1.00 0.00 C ATOM 988 CD LYS A 64 6.968 -2.895 -2.949 1.00 0.00 C ATOM 989 CE LYS A 64 7.429 -4.256 -2.506 1.00 0.00 C ATOM 990 NZ LYS A 64 8.832 -4.246 -2.021 1.00 0.00 N ATOM 0 H LYS A 64 4.481 1.147 -3.729 1.00 0.00 H new ATOM 0 HA LYS A 64 4.290 -1.119 -1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.988 -1.727 -4.293 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.608 -1.116 -4.558 1.00 0.00 H new ATOM 0 HG2 LYS A 64 4.910 -3.402 -2.678 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.488 -3.600 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.620 -2.525 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.044 -2.192 -2.119 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.775 -4.618 -1.712 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.339 -4.956 -3.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.348 -5.048 -2.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.290 -3.356 -2.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.841 -4.327 -0.984 1.00 0.00 H new ATOM 1004 N VAL A 65 6.374 -0.153 -0.924 1.00 0.00 N ATOM 1005 CA VAL A 65 7.604 0.321 -0.360 1.00 0.00 C ATOM 1006 C VAL A 65 8.499 -0.856 -0.146 1.00 0.00 C ATOM 1007 O VAL A 65 8.069 -1.867 0.414 1.00 0.00 O ATOM 1008 CB VAL A 65 7.375 1.025 1.001 1.00 0.00 C ATOM 1009 CG1 VAL A 65 8.684 1.552 1.582 1.00 0.00 C ATOM 1010 CG2 VAL A 65 6.380 2.143 0.854 1.00 0.00 C ATOM 0 H VAL A 65 5.750 -0.603 -0.254 1.00 0.00 H new ATOM 0 HA VAL A 65 8.047 1.044 -1.045 1.00 0.00 H new ATOM 0 HB VAL A 65 6.974 0.286 1.695 1.00 0.00 H new ATOM 0 HG11 VAL A 65 8.488 2.040 2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.375 0.723 1.734 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.126 2.270 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.231 2.627 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 65 6.756 2.873 0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.431 1.741 0.499 1.00 0.00 H new ATOM 1020 N ASP A 66 9.712 -0.767 -0.614 1.00 0.00 N ATOM 1021 CA ASP A 66 10.647 -1.830 -0.386 1.00 0.00 C ATOM 1022 C ASP A 66 11.377 -1.567 0.905 1.00 0.00 C ATOM 1023 O ASP A 66 12.202 -0.675 0.978 1.00 0.00 O ATOM 1024 CB ASP A 66 11.607 -1.998 -1.542 1.00 0.00 C ATOM 1025 CG ASP A 66 12.485 -3.217 -1.377 1.00 0.00 C ATOM 1026 OD1 ASP A 66 11.982 -4.336 -1.555 1.00 0.00 O ATOM 1027 OD2 ASP A 66 13.675 -3.072 -1.063 1.00 0.00 O ATOM 0 H ASP A 66 10.073 0.022 -1.150 1.00 0.00 H new ATOM 0 HA ASP A 66 10.101 -2.770 -0.308 1.00 0.00 H new ATOM 0 HB2 ASP A 66 11.044 -2.080 -2.472 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.233 -1.109 -1.626 1.00 0.00 H new ATOM 1032 N THR A 67 11.036 -2.321 1.922 1.00 0.00 N ATOM 1033 CA THR A 67 11.562 -2.127 3.261 1.00 0.00 C ATOM 1034 C THR A 67 13.017 -2.544 3.405 1.00 0.00 C ATOM 1035 O THR A 67 13.647 -2.262 4.419 1.00 0.00 O ATOM 1036 CB THR A 67 10.692 -2.849 4.298 1.00 0.00 C ATOM 1037 OG1 THR A 67 10.533 -4.218 3.906 1.00 0.00 O ATOM 1038 CG2 THR A 67 9.327 -2.194 4.401 1.00 0.00 C ATOM 0 H THR A 67 10.378 -3.097 1.847 1.00 0.00 H new ATOM 0 HA THR A 67 11.528 -1.053 3.446 1.00 0.00 H new ATOM 0 HB THR A 67 11.181 -2.790 5.270 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.622 -4.796 4.693 1.00 0.00 H new ATOM 0 HG21 THR A 67 8.726 -2.721 5.142 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.445 -1.153 4.703 1.00 0.00 H new ATOM 0 HG23 THR A 67 8.829 -2.237 3.432 1.00 0.00 H new ATOM 1046 N ASP A 68 13.543 -3.231 2.417 1.00 0.00 N ATOM 1047 CA ASP A 68 14.946 -3.585 2.449 1.00 0.00 C ATOM 1048 C ASP A 68 15.720 -2.371 2.010 1.00 0.00 C ATOM 1049 O ASP A 68 16.773 -2.041 2.557 1.00 0.00 O ATOM 1050 CB ASP A 68 15.243 -4.755 1.517 1.00 0.00 C ATOM 1051 CG ASP A 68 16.666 -5.256 1.652 1.00 0.00 C ATOM 1052 OD1 ASP A 68 17.580 -4.698 1.002 1.00 0.00 O ATOM 1053 OD2 ASP A 68 16.888 -6.218 2.415 1.00 0.00 O ATOM 0 H ASP A 68 13.033 -3.552 1.594 1.00 0.00 H new ATOM 0 HA ASP A 68 15.229 -3.894 3.455 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.552 -5.570 1.731 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.065 -4.449 0.486 1.00 0.00 H new ATOM 1058 N GLU A 69 15.161 -1.709 1.026 1.00 0.00 N ATOM 1059 CA GLU A 69 15.691 -0.494 0.475 1.00 0.00 C ATOM 1060 C GLU A 69 15.498 0.631 1.478 1.00 0.00 C ATOM 1061 O GLU A 69 16.446 1.168 2.039 1.00 0.00 O ATOM 1062 CB GLU A 69 14.894 -0.153 -0.764 1.00 0.00 C ATOM 1063 CG GLU A 69 15.505 0.907 -1.638 1.00 0.00 C ATOM 1064 CD GLU A 69 16.814 0.469 -2.194 1.00 0.00 C ATOM 1065 OE1 GLU A 69 16.814 -0.266 -3.204 1.00 0.00 O ATOM 1066 OE2 GLU A 69 17.853 0.842 -1.644 1.00 0.00 O ATOM 0 H GLU A 69 14.298 -2.014 0.576 1.00 0.00 H new ATOM 0 HA GLU A 69 16.749 -0.618 0.243 1.00 0.00 H new ATOM 0 HB2 GLU A 69 14.763 -1.060 -1.355 1.00 0.00 H new ATOM 0 HB3 GLU A 69 13.900 0.176 -0.460 1.00 0.00 H new ATOM 0 HG2 GLU A 69 14.823 1.144 -2.455 1.00 0.00 H new ATOM 0 HG3 GLU A 69 15.642 1.822 -1.061 1.00 0.00 H new ATOM 1073 N LEU A 70 14.244 0.944 1.722 1.00 0.00 N ATOM 1074 CA LEU A 70 13.828 2.002 2.598 1.00 0.00 C ATOM 1075 C LEU A 70 13.795 1.523 4.054 1.00 0.00 C ATOM 1076 O LEU A 70 12.851 1.807 4.788 1.00 0.00 O ATOM 1077 CB LEU A 70 12.428 2.489 2.183 1.00 0.00 C ATOM 1078 CG LEU A 70 12.273 3.325 0.887 1.00 0.00 C ATOM 1079 CD1 LEU A 70 13.187 4.537 0.885 1.00 0.00 C ATOM 1080 CD2 LEU A 70 12.456 2.500 -0.363 1.00 0.00 C ATOM 0 H LEU A 70 13.462 0.446 1.297 1.00 0.00 H new ATOM 0 HA LEU A 70 14.544 2.820 2.520 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.790 1.610 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 70 12.029 3.082 3.006 1.00 0.00 H new ATOM 0 HG LEU A 70 11.244 3.685 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 70 13.048 5.096 -0.040 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.946 5.176 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 70 14.224 4.211 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.337 3.137 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 70 13.454 2.061 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.710 1.706 -0.387 1.00 0.00 H new ATOM 1092 N LYS A 71 14.856 0.861 4.467 1.00 0.00 N ATOM 1093 CA LYS A 71 14.969 0.280 5.802 1.00 0.00 C ATOM 1094 C LYS A 71 14.824 1.316 6.943 1.00 0.00 C ATOM 1095 O LYS A 71 14.203 1.030 7.962 1.00 0.00 O ATOM 1096 CB LYS A 71 16.271 -0.526 5.925 1.00 0.00 C ATOM 1097 CG LYS A 71 17.534 0.263 5.611 1.00 0.00 C ATOM 1098 CD LYS A 71 18.764 -0.621 5.666 1.00 0.00 C ATOM 1099 CE LYS A 71 20.030 0.151 5.319 1.00 0.00 C ATOM 1100 NZ LYS A 71 20.310 1.234 6.282 1.00 0.00 N ATOM 0 H LYS A 71 15.678 0.706 3.883 1.00 0.00 H new ATOM 0 HA LYS A 71 14.124 -0.398 5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 71 16.346 -0.919 6.939 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.217 -1.383 5.254 1.00 0.00 H new ATOM 0 HG2 LYS A 71 17.449 0.710 4.621 1.00 0.00 H new ATOM 0 HG3 LYS A 71 17.640 1.082 6.323 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.861 -1.048 6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 71 18.645 -1.454 4.973 1.00 0.00 H new ATOM 0 HE2 LYS A 71 20.876 -0.536 5.293 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.932 0.574 4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 21.260 1.618 6.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 19.604 1.990 6.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.263 0.858 7.251 1.00 0.00 H new ATOM 1114 N SER A 72 15.352 2.517 6.756 1.00 0.00 N ATOM 1115 CA SER A 72 15.252 3.535 7.792 1.00 0.00 C ATOM 1116 C SER A 72 13.854 4.169 7.810 1.00 0.00 C ATOM 1117 O SER A 72 13.387 4.676 8.845 1.00 0.00 O ATOM 1118 CB SER A 72 16.341 4.578 7.622 1.00 0.00 C ATOM 1119 OG SER A 72 17.632 3.968 7.697 1.00 0.00 O ATOM 0 H SER A 72 15.846 2.808 5.912 1.00 0.00 H new ATOM 0 HA SER A 72 15.400 3.057 8.760 1.00 0.00 H new ATOM 0 HB2 SER A 72 16.225 5.081 6.662 1.00 0.00 H new ATOM 0 HB3 SER A 72 16.247 5.341 8.395 1.00 0.00 H new ATOM 0 HG SER A 72 18.324 4.652 7.584 1.00 0.00 H new ATOM 1125 N VAL A 73 13.192 4.146 6.671 1.00 0.00 N ATOM 1126 CA VAL A 73 11.824 4.614 6.584 1.00 0.00 C ATOM 1127 C VAL A 73 10.904 3.563 7.214 1.00 0.00 C ATOM 1128 O VAL A 73 9.974 3.888 7.950 1.00 0.00 O ATOM 1129 CB VAL A 73 11.403 4.882 5.112 1.00 0.00 C ATOM 1130 CG1 VAL A 73 9.975 5.405 5.029 1.00 0.00 C ATOM 1131 CG2 VAL A 73 12.366 5.856 4.447 1.00 0.00 C ATOM 0 H VAL A 73 13.581 3.807 5.791 1.00 0.00 H new ATOM 0 HA VAL A 73 11.741 5.559 7.121 1.00 0.00 H new ATOM 0 HB VAL A 73 11.443 3.933 4.578 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.712 5.582 3.986 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.293 4.669 5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.896 6.338 5.586 1.00 0.00 H new ATOM 0 HG21 VAL A 73 12.054 6.030 3.417 1.00 0.00 H new ATOM 0 HG22 VAL A 73 12.363 6.800 4.992 1.00 0.00 H new ATOM 0 HG23 VAL A 73 13.372 5.436 4.455 1.00 0.00 H new ATOM 1141 N ALA A 74 11.212 2.299 6.944 1.00 0.00 N ATOM 1142 CA ALA A 74 10.459 1.165 7.466 1.00 0.00 C ATOM 1143 C ALA A 74 10.433 1.180 8.984 1.00 0.00 C ATOM 1144 O ALA A 74 9.374 1.017 9.601 1.00 0.00 O ATOM 1145 CB ALA A 74 11.055 -0.139 6.961 1.00 0.00 C ATOM 0 H ALA A 74 11.998 2.031 6.352 1.00 0.00 H new ATOM 0 HA ALA A 74 9.432 1.246 7.109 1.00 0.00 H new ATOM 0 HB1 ALA A 74 10.484 -0.978 7.358 1.00 0.00 H new ATOM 0 HB2 ALA A 74 11.018 -0.158 5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 74 12.091 -0.217 7.291 1.00 0.00 H new ATOM 1151 N SER A 75 11.591 1.401 9.589 1.00 0.00 N ATOM 1152 CA SER A 75 11.698 1.458 11.027 1.00 0.00 C ATOM 1153 C SER A 75 10.908 2.643 11.599 1.00 0.00 C ATOM 1154 O SER A 75 10.355 2.559 12.696 1.00 0.00 O ATOM 1155 CB SER A 75 13.174 1.508 11.448 1.00 0.00 C ATOM 1156 OG SER A 75 13.852 2.595 10.828 1.00 0.00 O ATOM 0 H SER A 75 12.472 1.544 9.096 1.00 0.00 H new ATOM 0 HA SER A 75 11.257 0.551 11.441 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.242 1.605 12.532 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.663 0.571 11.180 1.00 0.00 H new ATOM 0 HG SER A 75 13.222 3.098 10.270 1.00 0.00 H new ATOM 1162 N ASP A 76 10.822 3.722 10.832 1.00 0.00 N ATOM 1163 CA ASP A 76 10.114 4.927 11.269 1.00 0.00 C ATOM 1164 C ASP A 76 8.608 4.695 11.266 1.00 0.00 C ATOM 1165 O ASP A 76 7.888 5.149 12.158 1.00 0.00 O ATOM 1166 CB ASP A 76 10.464 6.097 10.356 1.00 0.00 C ATOM 1167 CG ASP A 76 9.796 7.388 10.762 1.00 0.00 C ATOM 1168 OD1 ASP A 76 10.357 8.122 11.593 1.00 0.00 O ATOM 1169 OD2 ASP A 76 8.721 7.702 10.236 1.00 0.00 O ATOM 0 H ASP A 76 11.233 3.791 9.901 1.00 0.00 H new ATOM 0 HA ASP A 76 10.426 5.162 12.287 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.545 6.239 10.356 1.00 0.00 H new ATOM 0 HB3 ASP A 76 10.175 5.851 9.334 1.00 0.00 H new ATOM 1174 N TRP A 77 8.148 3.944 10.281 1.00 0.00 N ATOM 1175 CA TRP A 77 6.749 3.595 10.155 1.00 0.00 C ATOM 1176 C TRP A 77 6.388 2.378 10.995 1.00 0.00 C ATOM 1177 O TRP A 77 5.265 1.871 10.913 1.00 0.00 O ATOM 1178 CB TRP A 77 6.359 3.387 8.689 1.00 0.00 C ATOM 1179 CG TRP A 77 6.279 4.661 7.897 1.00 0.00 C ATOM 1180 CD1 TRP A 77 7.311 5.412 7.426 1.00 0.00 C ATOM 1181 CD2 TRP A 77 5.078 5.326 7.478 1.00 0.00 C ATOM 1182 NE1 TRP A 77 6.826 6.512 6.763 1.00 0.00 N ATOM 1183 CE2 TRP A 77 5.461 6.474 6.772 1.00 0.00 C ATOM 1184 CE3 TRP A 77 3.719 5.056 7.635 1.00 0.00 C ATOM 1185 CZ2 TRP A 77 4.534 7.357 6.225 1.00 0.00 C ATOM 1186 CZ3 TRP A 77 2.800 5.931 7.091 1.00 0.00 C ATOM 1187 CH2 TRP A 77 3.212 7.067 6.393 1.00 0.00 C ATOM 0 H TRP A 77 8.739 3.559 9.544 1.00 0.00 H new ATOM 0 HA TRP A 77 6.174 4.436 10.541 1.00 0.00 H new ATOM 0 HB2 TRP A 77 7.085 2.723 8.220 1.00 0.00 H new ATOM 0 HB3 TRP A 77 5.393 2.883 8.647 1.00 0.00 H new ATOM 0 HD1 TRP A 77 8.357 5.177 7.555 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.395 7.241 6.332 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.391 4.178 8.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.850 8.239 5.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 1.745 5.733 7.208 1.00 0.00 H new ATOM 0 HH2 TRP A 77 2.468 7.731 5.977 1.00 0.00 H new ATOM 1198 N ALA A 78 7.356 1.921 11.808 1.00 0.00 N ATOM 1199 CA ALA A 78 7.187 0.787 12.728 1.00 0.00 C ATOM 1200 C ALA A 78 6.905 -0.508 11.969 1.00 0.00 C ATOM 1201 O ALA A 78 6.266 -1.431 12.495 1.00 0.00 O ATOM 1202 CB ALA A 78 6.082 1.079 13.748 1.00 0.00 C ATOM 0 H ALA A 78 8.288 2.335 11.844 1.00 0.00 H new ATOM 0 HA ALA A 78 8.124 0.652 13.269 1.00 0.00 H new ATOM 0 HB1 ALA A 78 5.973 0.228 14.420 1.00 0.00 H new ATOM 0 HB2 ALA A 78 6.345 1.965 14.326 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.141 1.252 13.226 1.00 0.00 H new ATOM 1208 N ILE A 79 7.418 -0.594 10.764 1.00 0.00 N ATOM 1209 CA ILE A 79 7.229 -1.769 9.951 1.00 0.00 C ATOM 1210 C ILE A 79 8.315 -2.775 10.294 1.00 0.00 C ATOM 1211 O ILE A 79 9.462 -2.638 9.868 1.00 0.00 O ATOM 1212 CB ILE A 79 7.283 -1.446 8.432 1.00 0.00 C ATOM 1213 CG1 ILE A 79 6.282 -0.328 8.071 1.00 0.00 C ATOM 1214 CG2 ILE A 79 7.005 -2.705 7.605 1.00 0.00 C ATOM 1215 CD1 ILE A 79 4.836 -0.635 8.410 1.00 0.00 C ATOM 0 H ILE A 79 7.972 0.141 10.325 1.00 0.00 H new ATOM 0 HA ILE A 79 6.240 -2.175 10.162 1.00 0.00 H new ATOM 0 HB ILE A 79 8.286 -1.092 8.196 1.00 0.00 H new ATOM 0 HG12 ILE A 79 6.576 0.585 8.589 1.00 0.00 H new ATOM 0 HG13 ILE A 79 6.355 -0.126 7.002 1.00 0.00 H new ATOM 0 HG21 ILE A 79 7.047 -2.460 6.544 1.00 0.00 H new ATOM 0 HG22 ILE A 79 7.755 -3.463 7.832 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.015 -3.090 7.850 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.208 0.207 8.121 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.518 -1.527 7.871 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.742 -0.806 9.482 1.00 0.00 H new ATOM 1227 N GLN A 80 7.966 -3.736 11.105 1.00 0.00 N ATOM 1228 CA GLN A 80 8.900 -4.740 11.541 1.00 0.00 C ATOM 1229 C GLN A 80 8.641 -6.059 10.855 1.00 0.00 C ATOM 1230 O GLN A 80 9.556 -6.866 10.679 1.00 0.00 O ATOM 1231 CB GLN A 80 8.811 -4.920 13.046 1.00 0.00 C ATOM 1232 CG GLN A 80 9.187 -3.690 13.839 1.00 0.00 C ATOM 1233 CD GLN A 80 9.080 -3.912 15.327 1.00 0.00 C ATOM 1234 OE1 GLN A 80 8.034 -3.681 15.927 1.00 0.00 O ATOM 1235 NE2 GLN A 80 10.143 -4.348 15.929 1.00 0.00 N ATOM 0 H GLN A 80 7.025 -3.846 11.483 1.00 0.00 H new ATOM 0 HA GLN A 80 9.902 -4.404 11.275 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.793 -5.210 13.307 1.00 0.00 H new ATOM 0 HB3 GLN A 80 9.462 -5.743 13.342 1.00 0.00 H new ATOM 0 HG2 GLN A 80 10.207 -3.398 13.590 1.00 0.00 H new ATOM 0 HG3 GLN A 80 8.539 -2.862 13.550 1.00 0.00 H new ATOM 0 HE21 GLN A 80 10.993 -4.528 15.396 1.00 0.00 H new ATOM 0 HE22 GLN A 80 10.128 -4.511 16.936 1.00 0.00 H new ATOM 1244 N ALA A 81 7.411 -6.280 10.463 1.00 0.00 N ATOM 1245 CA ALA A 81 7.029 -7.518 9.839 1.00 0.00 C ATOM 1246 C ALA A 81 6.630 -7.281 8.400 1.00 0.00 C ATOM 1247 O ALA A 81 5.994 -6.278 8.076 1.00 0.00 O ATOM 1248 CB ALA A 81 5.890 -8.169 10.605 1.00 0.00 C ATOM 0 H ALA A 81 6.650 -5.608 10.568 1.00 0.00 H new ATOM 0 HA ALA A 81 7.885 -8.192 9.855 1.00 0.00 H new ATOM 0 HB1 ALA A 81 5.613 -9.105 10.120 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.208 -8.371 11.628 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.030 -7.499 10.618 1.00 0.00 H new ATOM 1254 N MET A 82 7.011 -8.180 7.538 1.00 0.00 N ATOM 1255 CA MET A 82 6.678 -8.059 6.150 1.00 0.00 C ATOM 1256 C MET A 82 5.687 -9.140 5.775 1.00 0.00 C ATOM 1257 O MET A 82 5.847 -10.297 6.193 1.00 0.00 O ATOM 1258 CB MET A 82 7.917 -8.201 5.287 1.00 0.00 C ATOM 1259 CG MET A 82 9.005 -7.187 5.571 1.00 0.00 C ATOM 1260 SD MET A 82 10.467 -7.436 4.551 1.00 0.00 S ATOM 1261 CE MET A 82 10.959 -9.084 5.048 1.00 0.00 C ATOM 0 H MET A 82 7.556 -9.009 7.775 1.00 0.00 H new ATOM 0 HA MET A 82 6.242 -7.074 5.982 1.00 0.00 H new ATOM 0 HB2 MET A 82 8.327 -9.202 5.425 1.00 0.00 H new ATOM 0 HB3 MET A 82 7.626 -8.117 4.240 1.00 0.00 H new ATOM 0 HG2 MET A 82 8.615 -6.184 5.401 1.00 0.00 H new ATOM 0 HG3 MET A 82 9.286 -7.246 6.623 1.00 0.00 H new ATOM 0 HE1 MET A 82 12.019 -9.086 5.301 1.00 0.00 H new ATOM 0 HE2 MET A 82 10.378 -9.390 5.918 1.00 0.00 H new ATOM 0 HE3 MET A 82 10.780 -9.780 4.228 1.00 0.00 H new ATOM 1271 N PRO A 83 4.653 -8.804 5.006 1.00 0.00 N ATOM 1272 CA PRO A 83 4.398 -7.451 4.545 1.00 0.00 C ATOM 1273 C PRO A 83 3.401 -6.722 5.459 1.00 0.00 C ATOM 1274 O PRO A 83 2.607 -7.353 6.159 1.00 0.00 O ATOM 1275 CB PRO A 83 3.759 -7.702 3.183 1.00 0.00 C ATOM 1276 CG PRO A 83 2.990 -8.976 3.353 1.00 0.00 C ATOM 1277 CD PRO A 83 3.644 -9.739 4.489 1.00 0.00 C ATOM 0 HA PRO A 83 5.292 -6.828 4.526 1.00 0.00 H new ATOM 0 HB2 PRO A 83 3.104 -6.880 2.895 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.514 -7.796 2.403 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.944 -8.768 3.579 1.00 0.00 H new ATOM 0 HG3 PRO A 83 3.007 -9.562 2.434 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.920 -10.011 5.257 1.00 0.00 H new ATOM 0 HD3 PRO A 83 4.100 -10.665 4.138 1.00 0.00 H new ATOM 1285 N THR A 84 3.462 -5.436 5.490 1.00 0.00 N ATOM 1286 CA THR A 84 2.485 -4.696 6.221 1.00 0.00 C ATOM 1287 C THR A 84 1.708 -3.815 5.265 1.00 0.00 C ATOM 1288 O THR A 84 2.297 -3.043 4.510 1.00 0.00 O ATOM 1289 CB THR A 84 3.114 -3.854 7.329 1.00 0.00 C ATOM 1290 OG1 THR A 84 3.835 -4.703 8.249 1.00 0.00 O ATOM 1291 CG2 THR A 84 2.065 -3.055 8.098 1.00 0.00 C ATOM 0 H THR A 84 4.173 -4.874 5.021 1.00 0.00 H new ATOM 0 HA THR A 84 1.812 -5.405 6.703 1.00 0.00 H new ATOM 0 HB THR A 84 3.799 -3.151 6.855 1.00 0.00 H new ATOM 0 HG1 THR A 84 4.589 -5.122 7.785 1.00 0.00 H new ATOM 0 HG21 THR A 84 2.553 -2.469 8.877 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.544 -2.386 7.414 1.00 0.00 H new ATOM 0 HG23 THR A 84 1.348 -3.739 8.553 1.00 0.00 H new ATOM 1299 N PHE A 85 0.408 -3.940 5.293 1.00 0.00 N ATOM 1300 CA PHE A 85 -0.443 -3.181 4.461 1.00 0.00 C ATOM 1301 C PHE A 85 -1.101 -2.128 5.299 1.00 0.00 C ATOM 1302 O PHE A 85 -1.757 -2.438 6.293 1.00 0.00 O ATOM 1303 CB PHE A 85 -1.520 -4.078 3.860 1.00 0.00 C ATOM 1304 CG PHE A 85 -1.015 -5.181 2.982 1.00 0.00 C ATOM 1305 CD1 PHE A 85 -0.782 -4.955 1.637 1.00 0.00 C ATOM 1306 CD2 PHE A 85 -0.791 -6.449 3.496 1.00 0.00 C ATOM 1307 CE1 PHE A 85 -0.331 -5.970 0.821 1.00 0.00 C ATOM 1308 CE2 PHE A 85 -0.338 -7.465 2.685 1.00 0.00 C ATOM 1309 CZ PHE A 85 -0.109 -7.225 1.344 1.00 0.00 C ATOM 0 H PHE A 85 -0.083 -4.587 5.910 1.00 0.00 H new ATOM 0 HA PHE A 85 0.136 -2.730 3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -2.099 -4.518 4.672 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.204 -3.458 3.280 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -0.955 -3.973 1.222 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.974 -6.642 4.543 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -0.152 -5.782 -0.227 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -0.162 -8.448 3.096 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.244 -8.021 0.706 1.00 0.00 H new ATOM 1319 N MET A 86 -0.920 -0.908 4.942 1.00 0.00 N ATOM 1320 CA MET A 86 -1.541 0.151 5.670 1.00 0.00 C ATOM 1321 C MET A 86 -2.613 0.771 4.838 1.00 0.00 C ATOM 1322 O MET A 86 -2.365 1.230 3.713 1.00 0.00 O ATOM 1323 CB MET A 86 -0.532 1.200 6.115 1.00 0.00 C ATOM 1324 CG MET A 86 -1.147 2.332 6.933 1.00 0.00 C ATOM 1325 SD MET A 86 0.064 3.542 7.497 1.00 0.00 S ATOM 1326 CE MET A 86 1.151 2.511 8.488 1.00 0.00 C ATOM 0 H MET A 86 -0.348 -0.613 4.151 1.00 0.00 H new ATOM 0 HA MET A 86 -1.983 -0.271 6.573 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.245 0.716 6.707 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.047 1.621 5.235 1.00 0.00 H new ATOM 0 HG2 MET A 86 -1.902 2.837 6.331 1.00 0.00 H new ATOM 0 HG3 MET A 86 -1.659 1.910 7.798 1.00 0.00 H new ATOM 0 HE1 MET A 86 1.707 3.135 9.187 1.00 0.00 H new ATOM 0 HE2 MET A 86 0.557 1.785 9.043 1.00 0.00 H new ATOM 0 HE3 MET A 86 1.849 1.986 7.836 1.00 0.00 H new ATOM 1336 N PHE A 87 -3.790 0.765 5.367 1.00 0.00 N ATOM 1337 CA PHE A 87 -4.903 1.317 4.732 1.00 0.00 C ATOM 1338 C PHE A 87 -5.239 2.626 5.395 1.00 0.00 C ATOM 1339 O PHE A 87 -5.581 2.672 6.592 1.00 0.00 O ATOM 1340 CB PHE A 87 -6.074 0.361 4.881 1.00 0.00 C ATOM 1341 CG PHE A 87 -5.943 -0.942 4.135 1.00 0.00 C ATOM 1342 CD1 PHE A 87 -5.222 -2.001 4.665 1.00 0.00 C ATOM 1343 CD2 PHE A 87 -6.550 -1.106 2.901 1.00 0.00 C ATOM 1344 CE1 PHE A 87 -5.109 -3.193 3.977 1.00 0.00 C ATOM 1345 CE2 PHE A 87 -6.441 -2.297 2.209 1.00 0.00 C ATOM 1346 CZ PHE A 87 -5.718 -3.342 2.749 1.00 0.00 C ATOM 0 H PHE A 87 -3.993 0.360 6.281 1.00 0.00 H new ATOM 0 HA PHE A 87 -4.694 1.482 3.675 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.210 0.142 5.940 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.979 0.865 4.541 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -4.743 -1.892 5.627 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.116 -0.292 2.474 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.543 -4.009 4.401 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.920 -2.410 1.248 1.00 0.00 H new ATOM 0 HZ PHE A 87 -5.630 -4.274 2.211 1.00 0.00 H new ATOM 1356 N LEU A 88 -5.137 3.685 4.664 1.00 0.00 N ATOM 1357 CA LEU A 88 -5.470 4.938 5.187 1.00 0.00 C ATOM 1358 C LEU A 88 -6.292 5.706 4.172 1.00 0.00 C ATOM 1359 O LEU A 88 -6.312 5.355 3.000 1.00 0.00 O ATOM 1360 CB LEU A 88 -4.210 5.706 5.707 1.00 0.00 C ATOM 1361 CG LEU A 88 -3.063 6.119 4.751 1.00 0.00 C ATOM 1362 CD1 LEU A 88 -2.419 4.959 4.012 1.00 0.00 C ATOM 1363 CD2 LEU A 88 -3.459 7.259 3.835 1.00 0.00 C ATOM 0 H LEU A 88 -4.821 3.692 3.694 1.00 0.00 H new ATOM 0 HA LEU A 88 -6.093 4.812 6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.569 6.618 6.184 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.765 5.091 6.489 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.273 6.499 5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.627 5.335 3.365 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -1.997 4.258 4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.170 4.450 3.408 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.621 7.511 3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.312 6.958 3.227 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.729 8.129 4.433 1.00 0.00 H new ATOM 1375 N LYS A 89 -6.943 6.735 4.594 1.00 0.00 N ATOM 1376 CA LYS A 89 -7.818 7.449 3.719 1.00 0.00 C ATOM 1377 C LYS A 89 -7.579 8.920 3.810 1.00 0.00 C ATOM 1378 O LYS A 89 -7.645 9.505 4.892 1.00 0.00 O ATOM 1379 CB LYS A 89 -9.274 7.119 4.043 1.00 0.00 C ATOM 1380 CG LYS A 89 -10.299 7.860 3.197 1.00 0.00 C ATOM 1381 CD LYS A 89 -11.730 7.477 3.558 1.00 0.00 C ATOM 1382 CE LYS A 89 -11.999 6.002 3.320 1.00 0.00 C ATOM 1383 NZ LYS A 89 -13.388 5.640 3.621 1.00 0.00 N ATOM 0 H LYS A 89 -6.888 7.105 5.543 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.609 7.138 2.695 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -9.426 6.047 3.917 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.458 7.345 5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.168 8.934 3.329 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -10.122 7.644 2.143 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.916 7.716 4.605 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -12.425 8.073 2.967 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -11.778 5.756 2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -11.327 5.407 3.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -13.528 4.625 3.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -13.593 5.850 4.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -14.029 6.188 3.013 1.00 0.00 H new ATOM 1397 N GLU A 90 -7.255 9.499 2.663 1.00 0.00 N ATOM 1398 CA GLU A 90 -7.053 10.933 2.491 1.00 0.00 C ATOM 1399 C GLU A 90 -5.881 11.450 3.351 1.00 0.00 C ATOM 1400 O GLU A 90 -5.807 12.641 3.683 1.00 0.00 O ATOM 1401 CB GLU A 90 -8.345 11.695 2.806 1.00 0.00 C ATOM 1402 CG GLU A 90 -9.531 11.284 1.942 1.00 0.00 C ATOM 1403 CD GLU A 90 -10.810 12.022 2.288 1.00 0.00 C ATOM 1404 OE1 GLU A 90 -11.467 11.678 3.306 1.00 0.00 O ATOM 1405 OE2 GLU A 90 -11.186 12.958 1.548 1.00 0.00 O ATOM 0 H GLU A 90 -7.121 8.970 1.801 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.790 11.112 1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.601 11.539 3.854 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.166 12.762 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.288 11.464 0.895 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.697 10.212 2.051 1.00 0.00 H new ATOM 1412 N GLY A 91 -4.946 10.558 3.646 1.00 0.00 N ATOM 1413 CA GLY A 91 -3.802 10.891 4.478 1.00 0.00 C ATOM 1414 C GLY A 91 -4.019 10.584 5.958 1.00 0.00 C ATOM 1415 O GLY A 91 -3.097 10.704 6.761 1.00 0.00 O ATOM 0 H GLY A 91 -4.959 9.592 3.318 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -2.931 10.339 4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -3.575 11.951 4.364 1.00 0.00 H new ATOM 1419 N LYS A 92 -5.224 10.178 6.320 1.00 0.00 N ATOM 1420 CA LYS A 92 -5.527 9.816 7.707 1.00 0.00 C ATOM 1421 C LYS A 92 -5.535 8.301 7.833 1.00 0.00 C ATOM 1422 O LYS A 92 -6.169 7.624 7.029 1.00 0.00 O ATOM 1423 CB LYS A 92 -6.896 10.351 8.174 1.00 0.00 C ATOM 1424 CG LYS A 92 -7.091 11.875 8.196 1.00 0.00 C ATOM 1425 CD LYS A 92 -7.098 12.497 6.808 1.00 0.00 C ATOM 1426 CE LYS A 92 -7.370 13.990 6.863 1.00 0.00 C ATOM 1427 NZ LYS A 92 -8.691 14.294 7.458 1.00 0.00 N ATOM 0 H LYS A 92 -6.012 10.089 5.679 1.00 0.00 H new ATOM 0 HA LYS A 92 -4.759 10.267 8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -7.663 9.923 7.528 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -7.079 9.974 9.180 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.031 12.108 8.696 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -6.295 12.328 8.787 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -6.137 12.320 6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -7.857 12.011 6.195 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -6.589 14.479 7.446 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -7.323 14.404 5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -8.955 15.275 7.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -9.405 13.647 7.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -8.643 14.174 8.490 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.859 7.775 8.834 1.00 0.00 N ATOM 1442 CA ILE A 93 -4.731 6.330 9.005 1.00 0.00 C ATOM 1443 C ILE A 93 -6.029 5.699 9.506 1.00 0.00 C ATOM 1444 O ILE A 93 -6.643 6.185 10.464 1.00 0.00 O ATOM 1445 CB ILE A 93 -3.540 5.960 9.937 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -2.233 6.514 9.349 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -3.441 4.442 10.113 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -1.002 6.244 10.190 1.00 0.00 C ATOM 0 H ILE A 93 -4.384 8.326 9.550 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.521 5.917 8.018 1.00 0.00 H new ATOM 0 HB ILE A 93 -3.710 6.405 10.917 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.083 6.083 8.359 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -2.337 7.591 9.215 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -2.602 4.206 10.768 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -4.364 4.066 10.555 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -3.287 3.972 9.142 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.126 6.670 9.700 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.125 6.700 11.173 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.867 5.168 10.303 1.00 0.00 H new ATOM 1460 N LEU A 94 -6.449 4.629 8.845 1.00 0.00 N ATOM 1461 CA LEU A 94 -7.635 3.915 9.222 1.00 0.00 C ATOM 1462 C LEU A 94 -7.275 2.632 9.923 1.00 0.00 C ATOM 1463 O LEU A 94 -7.513 2.485 11.131 1.00 0.00 O ATOM 1464 CB LEU A 94 -8.496 3.610 8.004 1.00 0.00 C ATOM 1465 CG LEU A 94 -9.045 4.811 7.243 1.00 0.00 C ATOM 1466 CD1 LEU A 94 -9.888 4.346 6.080 1.00 0.00 C ATOM 1467 CD2 LEU A 94 -9.858 5.715 8.162 1.00 0.00 C ATOM 0 H LEU A 94 -5.968 4.241 8.033 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.205 4.547 9.903 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.908 3.007 7.312 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.337 2.996 8.326 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.204 5.389 6.861 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -10.276 5.211 5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.278 3.744 5.406 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -10.720 3.746 6.450 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.238 6.564 7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.694 5.153 8.578 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.224 6.075 8.972 1.00 0.00 H new ATOM 1479 N ASP A 95 -6.679 1.720 9.184 1.00 0.00 N ATOM 1480 CA ASP A 95 -6.323 0.433 9.712 1.00 0.00 C ATOM 1481 C ASP A 95 -5.051 -0.104 9.106 1.00 0.00 C ATOM 1482 O ASP A 95 -4.636 0.300 8.018 1.00 0.00 O ATOM 1483 CB ASP A 95 -7.465 -0.582 9.598 1.00 0.00 C ATOM 1484 CG ASP A 95 -7.995 -0.807 8.200 1.00 0.00 C ATOM 1485 OD1 ASP A 95 -7.469 -1.663 7.501 1.00 0.00 O ATOM 1486 OD2 ASP A 95 -9.001 -0.134 7.803 1.00 0.00 O ATOM 0 H ASP A 95 -6.431 1.856 8.204 1.00 0.00 H new ATOM 0 HA ASP A 95 -6.135 0.587 10.774 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -7.121 -1.537 9.996 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -8.288 -0.250 10.231 1.00 0.00 H new ATOM 1491 N LYS A 96 -4.421 -0.989 9.828 1.00 0.00 N ATOM 1492 CA LYS A 96 -3.151 -1.560 9.426 1.00 0.00 C ATOM 1493 C LYS A 96 -3.245 -3.077 9.468 1.00 0.00 C ATOM 1494 O LYS A 96 -3.769 -3.645 10.434 1.00 0.00 O ATOM 1495 CB LYS A 96 -2.047 -1.111 10.403 1.00 0.00 C ATOM 1496 CG LYS A 96 -1.893 0.399 10.557 1.00 0.00 C ATOM 1497 CD LYS A 96 -0.869 0.739 11.633 1.00 0.00 C ATOM 1498 CE LYS A 96 -0.775 2.243 11.864 1.00 0.00 C ATOM 1499 NZ LYS A 96 0.181 2.580 12.946 1.00 0.00 N ATOM 0 H LYS A 96 -4.771 -1.341 10.719 1.00 0.00 H new ATOM 0 HA LYS A 96 -2.913 -1.224 8.417 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -2.254 -1.541 11.383 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.096 -1.525 10.067 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.585 0.835 9.607 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.855 0.842 10.814 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.142 0.244 12.565 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.108 0.354 11.341 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.465 2.733 10.941 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -1.761 2.633 12.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 0.215 3.612 13.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.128 2.134 13.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.128 2.231 12.694 1.00 0.00 H new ATOM 1513 N VAL A 97 -2.751 -3.731 8.451 1.00 0.00 N ATOM 1514 CA VAL A 97 -2.726 -5.178 8.422 1.00 0.00 C ATOM 1515 C VAL A 97 -1.278 -5.626 8.422 1.00 0.00 C ATOM 1516 O VAL A 97 -0.520 -5.287 7.517 1.00 0.00 O ATOM 1517 CB VAL A 97 -3.427 -5.747 7.150 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -3.435 -7.275 7.164 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -4.840 -5.210 7.015 1.00 0.00 C ATOM 0 H VAL A 97 -2.356 -3.285 7.623 1.00 0.00 H new ATOM 0 HA VAL A 97 -3.262 -5.550 9.295 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.854 -5.416 6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.930 -7.645 6.266 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -2.410 -7.644 7.191 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.971 -7.628 8.045 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.303 -5.624 6.119 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.423 -5.496 7.890 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.810 -4.123 6.938 1.00 0.00 H new ATOM 1529 N VAL A 98 -0.897 -6.363 9.427 1.00 0.00 N ATOM 1530 CA VAL A 98 0.449 -6.851 9.525 1.00 0.00 C ATOM 1531 C VAL A 98 0.514 -8.344 9.183 1.00 0.00 C ATOM 1532 O VAL A 98 -0.161 -9.177 9.813 1.00 0.00 O ATOM 1533 CB VAL A 98 1.072 -6.545 10.930 1.00 0.00 C ATOM 1534 CG1 VAL A 98 0.274 -7.162 12.072 1.00 0.00 C ATOM 1535 CG2 VAL A 98 2.529 -6.966 10.991 1.00 0.00 C ATOM 0 H VAL A 98 -1.506 -6.641 10.196 1.00 0.00 H new ATOM 0 HA VAL A 98 1.053 -6.319 8.790 1.00 0.00 H new ATOM 0 HB VAL A 98 1.024 -5.464 11.062 1.00 0.00 H new ATOM 0 HG11 VAL A 98 0.750 -6.919 13.022 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -0.741 -6.765 12.063 1.00 0.00 H new ATOM 0 HG13 VAL A 98 0.241 -8.245 11.950 1.00 0.00 H new ATOM 0 HG21 VAL A 98 2.932 -6.740 11.978 1.00 0.00 H new ATOM 0 HG22 VAL A 98 2.606 -8.037 10.804 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.096 -6.423 10.235 1.00 0.00 H new ATOM 1545 N GLY A 99 1.281 -8.665 8.163 1.00 0.00 N ATOM 1546 CA GLY A 99 1.432 -10.024 7.738 1.00 0.00 C ATOM 1547 C GLY A 99 0.457 -10.368 6.643 1.00 0.00 C ATOM 1548 O GLY A 99 -0.683 -9.878 6.640 1.00 0.00 O ATOM 0 H GLY A 99 1.811 -7.989 7.613 1.00 0.00 H new ATOM 0 HA2 GLY A 99 2.450 -10.185 7.385 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.279 -10.691 8.586 1.00 0.00 H new ATOM 1552 N ALA A 100 0.879 -11.186 5.696 1.00 0.00 N ATOM 1553 CA ALA A 100 -0.012 -11.591 4.654 1.00 0.00 C ATOM 1554 C ALA A 100 -0.888 -12.682 5.192 1.00 0.00 C ATOM 1555 O ALA A 100 -0.435 -13.809 5.454 1.00 0.00 O ATOM 1556 CB ALA A 100 0.769 -12.083 3.438 1.00 0.00 C ATOM 0 H ALA A 100 1.821 -11.572 5.637 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.619 -10.745 4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.072 -12.386 2.657 1.00 0.00 H new ATOM 0 HB2 ALA A 100 1.405 -11.280 3.065 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.388 -12.934 3.723 1.00 0.00 H new ATOM 1562 N LYS A 101 -2.111 -12.336 5.398 1.00 0.00 N ATOM 1563 CA LYS A 101 -3.107 -13.218 5.872 1.00 0.00 C ATOM 1564 C LYS A 101 -4.249 -13.171 4.903 1.00 0.00 C ATOM 1565 O LYS A 101 -4.818 -12.099 4.682 1.00 0.00 O ATOM 1566 CB LYS A 101 -3.564 -12.775 7.247 1.00 0.00 C ATOM 1567 CG LYS A 101 -2.499 -12.833 8.333 1.00 0.00 C ATOM 1568 CD LYS A 101 -3.056 -12.387 9.622 1.00 0.00 C ATOM 1569 CE LYS A 101 -2.051 -12.441 10.749 1.00 0.00 C ATOM 1570 NZ LYS A 101 -2.656 -12.022 12.038 1.00 0.00 N ATOM 0 H LYS A 101 -2.454 -11.390 5.232 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.723 -14.235 5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.934 -11.752 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.405 -13.398 7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.120 -13.851 8.426 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.654 -12.202 8.057 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -3.424 -11.366 9.519 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.913 -13.010 9.877 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.661 -13.454 10.842 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.206 -11.794 10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.939 -12.071 12.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.006 -11.046 11.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -3.447 -12.655 12.272 1.00 0.00 H new ATOM 1584 N LYS A 102 -4.581 -14.296 4.328 1.00 0.00 N ATOM 1585 CA LYS A 102 -5.597 -14.365 3.315 1.00 0.00 C ATOM 1586 C LYS A 102 -6.964 -13.907 3.840 1.00 0.00 C ATOM 1587 O LYS A 102 -7.587 -13.014 3.263 1.00 0.00 O ATOM 1588 CB LYS A 102 -5.678 -15.790 2.792 1.00 0.00 C ATOM 1589 CG LYS A 102 -6.670 -15.989 1.671 1.00 0.00 C ATOM 1590 CD LYS A 102 -6.723 -17.443 1.204 1.00 0.00 C ATOM 1591 CE LYS A 102 -5.383 -17.923 0.655 1.00 0.00 C ATOM 1592 NZ LYS A 102 -5.454 -19.327 0.200 1.00 0.00 N ATOM 0 H LYS A 102 -4.152 -15.194 4.551 1.00 0.00 H new ATOM 0 HA LYS A 102 -5.325 -13.686 2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.690 -16.093 2.444 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -5.943 -16.452 3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -7.660 -15.679 2.004 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -6.401 -15.348 0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -7.021 -18.079 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -7.487 -17.548 0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.080 -17.286 -0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -4.618 -17.828 1.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -4.526 -19.620 -0.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -5.719 -19.938 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -6.167 -19.412 -0.553 1.00 0.00 H new ATOM 1606 N ASP A 103 -7.387 -14.461 4.966 1.00 0.00 N ATOM 1607 CA ASP A 103 -8.714 -14.160 5.499 1.00 0.00 C ATOM 1608 C ASP A 103 -8.788 -12.754 6.064 1.00 0.00 C ATOM 1609 O ASP A 103 -9.768 -12.044 5.853 1.00 0.00 O ATOM 1610 CB ASP A 103 -9.150 -15.191 6.543 1.00 0.00 C ATOM 1611 CG ASP A 103 -10.528 -14.906 7.104 1.00 0.00 C ATOM 1612 OD1 ASP A 103 -11.528 -15.149 6.396 1.00 0.00 O ATOM 1613 OD2 ASP A 103 -10.630 -14.459 8.269 1.00 0.00 O ATOM 0 H ASP A 103 -6.840 -15.115 5.526 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.411 -14.217 4.663 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -9.143 -16.184 6.093 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.426 -15.206 7.358 1.00 0.00 H new ATOM 1618 N GLU A 104 -7.747 -12.344 6.760 1.00 0.00 N ATOM 1619 CA GLU A 104 -7.697 -11.000 7.348 1.00 0.00 C ATOM 1620 C GLU A 104 -7.704 -9.928 6.280 1.00 0.00 C ATOM 1621 O GLU A 104 -8.382 -8.903 6.431 1.00 0.00 O ATOM 1622 CB GLU A 104 -6.477 -10.822 8.239 1.00 0.00 C ATOM 1623 CG GLU A 104 -6.439 -11.700 9.468 1.00 0.00 C ATOM 1624 CD GLU A 104 -7.524 -11.376 10.445 1.00 0.00 C ATOM 1625 OE1 GLU A 104 -7.397 -10.363 11.166 1.00 0.00 O ATOM 1626 OE2 GLU A 104 -8.500 -12.135 10.530 1.00 0.00 O ATOM 0 H GLU A 104 -6.920 -12.914 6.938 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.593 -10.894 7.959 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -5.583 -11.017 7.646 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.428 -9.780 8.556 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -6.528 -12.744 9.166 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.471 -11.591 9.957 1.00 0.00 H new ATOM 1633 N LEU A 105 -6.972 -10.158 5.202 1.00 0.00 N ATOM 1634 CA LEU A 105 -6.922 -9.198 4.127 1.00 0.00 C ATOM 1635 C LEU A 105 -8.293 -9.051 3.544 1.00 0.00 C ATOM 1636 O LEU A 105 -8.820 -7.955 3.451 1.00 0.00 O ATOM 1637 CB LEU A 105 -5.972 -9.642 3.036 1.00 0.00 C ATOM 1638 CG LEU A 105 -5.731 -8.621 1.918 1.00 0.00 C ATOM 1639 CD1 LEU A 105 -5.103 -7.342 2.468 1.00 0.00 C ATOM 1640 CD2 LEU A 105 -4.867 -9.209 0.832 1.00 0.00 C ATOM 0 H LEU A 105 -6.410 -10.997 5.054 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.566 -8.249 4.529 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -5.013 -9.890 3.491 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -6.360 -10.558 2.591 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.699 -8.365 1.487 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.943 -6.636 1.653 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.770 -6.898 3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.147 -7.578 2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -4.710 -8.466 0.050 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -3.905 -9.503 1.252 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.360 -10.083 0.408 1.00 0.00 H new ATOM 1652 N GLN A 106 -8.881 -10.174 3.190 1.00 0.00 N ATOM 1653 CA GLN A 106 -10.225 -10.197 2.615 1.00 0.00 C ATOM 1654 C GLN A 106 -11.256 -9.565 3.553 1.00 0.00 C ATOM 1655 O GLN A 106 -12.199 -8.910 3.093 1.00 0.00 O ATOM 1656 CB GLN A 106 -10.658 -11.613 2.224 1.00 0.00 C ATOM 1657 CG GLN A 106 -9.753 -12.293 1.205 1.00 0.00 C ATOM 1658 CD GLN A 106 -9.621 -11.521 -0.091 1.00 0.00 C ATOM 1659 OE1 GLN A 106 -10.531 -10.806 -0.511 1.00 0.00 O ATOM 1660 NE2 GLN A 106 -8.493 -11.649 -0.726 1.00 0.00 N ATOM 0 H GLN A 106 -8.452 -11.094 3.288 1.00 0.00 H new ATOM 0 HA GLN A 106 -10.180 -9.597 1.706 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -10.698 -12.228 3.123 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -11.670 -11.571 1.821 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -8.763 -12.428 1.642 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -10.144 -13.287 0.989 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -7.761 -12.250 -0.349 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -8.341 -11.148 -1.601 1.00 0.00 H new ATOM 1669 N SER A 107 -11.069 -9.734 4.856 1.00 0.00 N ATOM 1670 CA SER A 107 -11.979 -9.148 5.812 1.00 0.00 C ATOM 1671 C SER A 107 -11.784 -7.631 5.866 1.00 0.00 C ATOM 1672 O SER A 107 -12.738 -6.881 5.950 1.00 0.00 O ATOM 1673 CB SER A 107 -11.797 -9.795 7.176 1.00 0.00 C ATOM 1674 OG SER A 107 -12.008 -11.204 7.075 1.00 0.00 O ATOM 0 H SER A 107 -10.302 -10.267 5.265 1.00 0.00 H new ATOM 0 HA SER A 107 -13.005 -9.335 5.496 1.00 0.00 H new ATOM 0 HB2 SER A 107 -10.794 -9.594 7.553 1.00 0.00 H new ATOM 0 HB3 SER A 107 -12.498 -9.363 7.890 1.00 0.00 H new ATOM 0 HG SER A 107 -11.184 -11.637 6.768 1.00 0.00 H new ATOM 1680 N THR A 108 -10.544 -7.198 5.766 1.00 0.00 N ATOM 1681 CA THR A 108 -10.219 -5.786 5.728 1.00 0.00 C ATOM 1682 C THR A 108 -10.757 -5.164 4.436 1.00 0.00 C ATOM 1683 O THR A 108 -11.287 -4.051 4.439 1.00 0.00 O ATOM 1684 CB THR A 108 -8.695 -5.585 5.827 1.00 0.00 C ATOM 1685 OG1 THR A 108 -8.229 -6.130 7.076 1.00 0.00 O ATOM 1686 CG2 THR A 108 -8.325 -4.115 5.745 1.00 0.00 C ATOM 0 H THR A 108 -9.733 -7.814 5.709 1.00 0.00 H new ATOM 0 HA THR A 108 -10.687 -5.291 6.579 1.00 0.00 H new ATOM 0 HB THR A 108 -8.223 -6.099 4.989 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.222 -7.109 7.023 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.243 -4.008 5.818 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.667 -3.706 4.794 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.799 -3.574 6.564 1.00 0.00 H new ATOM 1694 N ILE A 109 -10.659 -5.897 3.346 1.00 0.00 N ATOM 1695 CA ILE A 109 -11.172 -5.424 2.087 1.00 0.00 C ATOM 1696 C ILE A 109 -12.695 -5.323 2.148 1.00 0.00 C ATOM 1697 O ILE A 109 -13.271 -4.398 1.615 1.00 0.00 O ATOM 1698 CB ILE A 109 -10.716 -6.311 0.905 1.00 0.00 C ATOM 1699 CG1 ILE A 109 -9.188 -6.329 0.846 1.00 0.00 C ATOM 1700 CG2 ILE A 109 -11.279 -5.772 -0.404 1.00 0.00 C ATOM 1701 CD1 ILE A 109 -8.623 -7.216 -0.227 1.00 0.00 C ATOM 0 H ILE A 109 -10.228 -6.821 3.311 1.00 0.00 H new ATOM 0 HA ILE A 109 -10.761 -4.430 1.908 1.00 0.00 H new ATOM 0 HB ILE A 109 -11.087 -7.325 1.053 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -8.830 -5.312 0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.802 -6.655 1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.951 -6.405 -1.229 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -12.368 -5.770 -0.358 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.921 -4.755 -0.563 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -7.534 -7.171 -0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -8.948 -8.243 -0.059 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -8.976 -6.879 -1.201 1.00 0.00 H new ATOM 1713 N ALA A 110 -13.332 -6.256 2.847 1.00 0.00 N ATOM 1714 CA ALA A 110 -14.783 -6.222 3.030 1.00 0.00 C ATOM 1715 C ALA A 110 -15.184 -5.057 3.933 1.00 0.00 C ATOM 1716 O ALA A 110 -16.245 -4.457 3.756 1.00 0.00 O ATOM 1717 CB ALA A 110 -15.300 -7.540 3.579 1.00 0.00 C ATOM 0 H ALA A 110 -12.869 -7.046 3.297 1.00 0.00 H new ATOM 0 HA ALA A 110 -15.242 -6.070 2.053 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -16.381 -7.483 3.704 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -15.057 -8.344 2.884 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -14.833 -7.740 4.544 1.00 0.00 H new ATOM 1723 N LYS A 111 -14.325 -4.738 4.893 1.00 0.00 N ATOM 1724 CA LYS A 111 -14.497 -3.640 5.756 1.00 0.00 C ATOM 1725 C LYS A 111 -14.437 -2.324 4.986 1.00 0.00 C ATOM 1726 O LYS A 111 -15.179 -1.386 5.273 1.00 0.00 O ATOM 1727 CB LYS A 111 -13.422 -3.709 6.807 1.00 0.00 C ATOM 1728 CG LYS A 111 -13.677 -4.685 7.937 1.00 0.00 C ATOM 1729 CD LYS A 111 -12.562 -4.642 8.968 1.00 0.00 C ATOM 1730 CE LYS A 111 -12.845 -5.579 10.129 1.00 0.00 C ATOM 1731 NZ LYS A 111 -11.779 -5.537 11.150 1.00 0.00 N ATOM 0 H LYS A 111 -13.473 -5.269 5.075 1.00 0.00 H new ATOM 0 HA LYS A 111 -15.479 -3.681 6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -12.482 -3.977 6.324 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -13.289 -2.714 7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -14.627 -4.449 8.416 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -13.765 -5.694 7.535 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -11.618 -4.918 8.497 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -12.447 -3.624 9.340 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -13.796 -5.310 10.588 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -12.948 -6.598 9.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -12.013 -6.191 11.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.875 -5.819 10.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -11.697 -4.571 11.527 1.00 0.00 H new ATOM 1745 N HIS A 112 -13.566 -2.271 4.001 1.00 0.00 N ATOM 1746 CA HIS A 112 -13.427 -1.105 3.171 1.00 0.00 C ATOM 1747 C HIS A 112 -14.431 -1.097 2.019 1.00 0.00 C ATOM 1748 O HIS A 112 -14.747 -0.041 1.484 1.00 0.00 O ATOM 1749 CB HIS A 112 -12.005 -0.990 2.629 1.00 0.00 C ATOM 1750 CG HIS A 112 -10.966 -0.524 3.609 1.00 0.00 C ATOM 1751 ND1 HIS A 112 -10.407 0.726 3.553 1.00 0.00 N ATOM 1752 CD2 HIS A 112 -10.362 -1.149 4.643 1.00 0.00 C ATOM 1753 CE1 HIS A 112 -9.513 0.851 4.500 1.00 0.00 C ATOM 1754 NE2 HIS A 112 -9.463 -0.274 5.178 1.00 0.00 N ATOM 0 H HIS A 112 -12.937 -3.037 3.757 1.00 0.00 H new ATOM 0 HA HIS A 112 -13.638 -0.241 3.801 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -11.703 -1.964 2.245 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.013 -0.302 1.783 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -10.555 -2.156 4.983 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.916 1.731 4.692 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -8.852 -0.462 5.973 1.00 0.00 H new ATOM 1763 N LEU A 113 -14.923 -2.279 1.643 1.00 0.00 N ATOM 1764 CA LEU A 113 -15.846 -2.434 0.563 1.00 0.00 C ATOM 1765 C LEU A 113 -17.135 -1.691 0.862 1.00 0.00 C ATOM 1766 O LEU A 113 -17.888 -2.067 1.766 1.00 0.00 O ATOM 1767 CB LEU A 113 -16.079 -3.926 0.375 1.00 0.00 C ATOM 1768 CG LEU A 113 -16.804 -4.432 -0.875 1.00 0.00 C ATOM 1769 CD1 LEU A 113 -18.283 -4.050 -0.925 1.00 0.00 C ATOM 1770 CD2 LEU A 113 -16.083 -4.008 -2.146 1.00 0.00 C ATOM 0 H LEU A 113 -14.676 -3.157 2.100 1.00 0.00 H new ATOM 0 HA LEU A 113 -15.449 -2.009 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -15.105 -4.413 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -16.639 -4.279 1.241 1.00 0.00 H new ATOM 0 HG LEU A 113 -16.778 -5.520 -0.810 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -18.730 -4.443 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -18.797 -4.470 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -18.379 -2.964 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -16.624 -4.384 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -16.035 -2.920 -2.191 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -15.072 -4.416 -2.144 1.00 0.00 H new