USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 35:sc= 0.496 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -5.68! C(o=-5.7!,f=-21!) USER MOD Single : A 19 TYR OH : rot 130:sc= -3.69! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 130:sc= -0.365 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0241 X(o=-0.024,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.0152 X(o=-0.015,f=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0155 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -82:sc= 0.777 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 3:sc= 0.363! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.318 K(o=-0.32,f=-2.5!) USER MOD Single : A 82 CYS SG : rot -111:sc= -1.71 USER MOD Single : A 84 GLN : amide:sc= -0.376 K(o=-0.38,f=-1.9) USER MOD Single : A 85 ASN : amide:sc= -0.684 K(o=-0.68,f=-2.2) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -130:sc= -0.0314 USER MOD Single : A 95 SER OG : rot -52:sc= 0.763 USER MOD Single : A 104 HIS : no HD1:sc= -0.325 K(o=-0.33,f=-0.92) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 9 0.424 -4.426 -3.908 1.00 0.00 N ATOM 32 CA LEU A 9 -0.794 -4.487 -4.699 1.00 0.00 C ATOM 33 C LEU A 9 -2.006 -4.417 -3.767 1.00 0.00 C ATOM 34 O LEU A 9 -2.973 -3.714 -4.053 1.00 0.00 O ATOM 35 CB LEU A 9 -0.784 -5.720 -5.604 1.00 0.00 C ATOM 36 CG LEU A 9 0.587 -6.162 -6.121 1.00 0.00 C ATOM 37 CD1 LEU A 9 0.443 -7.193 -7.243 1.00 0.00 C ATOM 38 CD2 LEU A 9 1.424 -4.957 -6.555 1.00 0.00 C ATOM 0 HA LEU A 9 -0.857 -3.630 -5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -1.229 -6.551 -5.057 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.427 -5.522 -6.462 1.00 0.00 H new ATOM 0 HG LEU A 9 1.120 -6.647 -5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.432 -7.491 -7.593 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.088 -8.068 -6.867 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.118 -6.756 -8.069 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.393 -5.299 -6.918 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.906 -4.422 -7.351 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.570 -4.290 -5.705 1.00 0.00 H new ATOM 50 N THR A 10 -1.913 -5.157 -2.672 1.00 0.00 N ATOM 51 CA THR A 10 -2.990 -5.188 -1.697 1.00 0.00 C ATOM 52 C THR A 10 -3.395 -3.766 -1.304 1.00 0.00 C ATOM 53 O THR A 10 -4.572 -3.413 -1.364 1.00 0.00 O ATOM 54 CB THR A 10 -2.529 -6.039 -0.511 1.00 0.00 C ATOM 55 OG1 THR A 10 -2.566 -7.374 -1.006 1.00 0.00 O ATOM 56 CG2 THR A 10 -3.540 -6.039 0.637 1.00 0.00 C ATOM 0 H THR A 10 -1.109 -5.739 -2.438 1.00 0.00 H new ATOM 0 HA THR A 10 -3.888 -5.644 -2.114 1.00 0.00 H new ATOM 0 HB THR A 10 -1.570 -5.669 -0.150 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.280 -7.992 -0.301 1.00 0.00 H new ATOM 0 HG21 THR A 10 -3.165 -6.657 1.452 1.00 0.00 H new ATOM 0 HG22 THR A 10 -3.687 -5.019 0.993 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.490 -6.441 0.285 1.00 0.00 H new ATOM 64 N GLN A 11 -2.397 -2.989 -0.911 1.00 0.00 N ATOM 65 CA GLN A 11 -2.635 -1.613 -0.508 1.00 0.00 C ATOM 66 C GLN A 11 -2.927 -0.744 -1.733 1.00 0.00 C ATOM 67 O GLN A 11 -3.719 0.194 -1.659 1.00 0.00 O ATOM 68 CB GLN A 11 -1.449 -1.061 0.285 1.00 0.00 C ATOM 69 CG GLN A 11 -1.815 -0.873 1.759 1.00 0.00 C ATOM 70 CD GLN A 11 -0.797 0.024 2.467 1.00 0.00 C ATOM 71 OE1 GLN A 11 -0.668 1.203 2.182 1.00 0.00 O ATOM 72 NE2 GLN A 11 -0.086 -0.598 3.402 1.00 0.00 N ATOM 0 H GLN A 11 -1.422 -3.285 -0.863 1.00 0.00 H new ATOM 0 HA GLN A 11 -3.508 -1.592 0.145 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.602 -1.742 0.201 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.135 -0.108 -0.140 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.809 -0.433 1.837 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -1.856 -1.843 2.254 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.245 -1.588 3.590 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.619 -0.086 3.932 1.00 0.00 H new ATOM 81 N LEU A 12 -2.271 -1.087 -2.832 1.00 0.00 N ATOM 82 CA LEU A 12 -2.450 -0.350 -4.071 1.00 0.00 C ATOM 83 C LEU A 12 -3.945 -0.193 -4.355 1.00 0.00 C ATOM 84 O LEU A 12 -4.396 0.881 -4.751 1.00 0.00 O ATOM 85 CB LEU A 12 -1.676 -1.019 -5.209 1.00 0.00 C ATOM 86 CG LEU A 12 -0.939 -0.077 -6.164 1.00 0.00 C ATOM 87 CD1 LEU A 12 -1.789 1.154 -6.484 1.00 0.00 C ATOM 88 CD2 LEU A 12 0.434 0.304 -5.608 1.00 0.00 C ATOM 0 H LEU A 12 -1.615 -1.866 -2.890 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.035 0.654 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.949 -1.704 -4.773 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.373 -1.622 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.771 -0.605 -7.102 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.242 1.807 -7.164 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.722 0.840 -6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.010 1.693 -5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.936 0.974 -6.306 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.311 0.806 -4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.034 -0.596 -5.473 1.00 0.00 H new ATOM 100 N SER A 13 -4.673 -1.279 -4.140 1.00 0.00 N ATOM 101 CA SER A 13 -6.108 -1.274 -4.367 1.00 0.00 C ATOM 102 C SER A 13 -6.766 -2.408 -3.579 1.00 0.00 C ATOM 103 O SER A 13 -7.398 -3.289 -4.161 1.00 0.00 O ATOM 104 CB SER A 13 -6.430 -1.407 -5.857 1.00 0.00 C ATOM 105 OG SER A 13 -6.486 -0.140 -6.506 1.00 0.00 O ATOM 0 H SER A 13 -4.296 -2.168 -3.811 1.00 0.00 H new ATOM 0 HA SER A 13 -6.506 -0.320 -4.020 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.673 -2.027 -6.337 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.385 -1.919 -5.977 1.00 0.00 H new ATOM 0 HG SER A 13 -5.826 0.463 -6.104 1.00 0.00 H new ATOM 111 N SER A 14 -6.595 -2.350 -2.266 1.00 0.00 N ATOM 112 CA SER A 14 -7.165 -3.362 -1.392 1.00 0.00 C ATOM 113 C SER A 14 -7.046 -4.742 -2.041 1.00 0.00 C ATOM 114 O SER A 14 -7.879 -5.616 -1.807 1.00 0.00 O ATOM 115 CB SER A 14 -8.628 -3.051 -1.070 1.00 0.00 C ATOM 116 OG SER A 14 -8.850 -2.921 0.331 1.00 0.00 O ATOM 0 H SER A 14 -6.070 -1.619 -1.786 1.00 0.00 H new ATOM 0 HA SER A 14 -6.607 -3.359 -0.456 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.921 -2.128 -1.571 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.263 -3.844 -1.466 1.00 0.00 H new ATOM 0 HG SER A 14 -9.795 -2.721 0.495 1.00 0.00 H new ATOM 122 N GLY A 15 -6.003 -4.895 -2.845 1.00 0.00 N ATOM 123 CA GLY A 15 -5.764 -6.154 -3.530 1.00 0.00 C ATOM 124 C GLY A 15 -6.697 -6.309 -4.733 1.00 0.00 C ATOM 125 O GLY A 15 -7.463 -7.268 -4.809 1.00 0.00 O ATOM 0 H GLY A 15 -5.314 -4.168 -3.037 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.727 -6.201 -3.861 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.915 -6.983 -2.839 1.00 0.00 H new ATOM 129 N ASN A 16 -6.601 -5.351 -5.643 1.00 0.00 N ATOM 130 CA ASN A 16 -7.426 -5.369 -6.839 1.00 0.00 C ATOM 131 C ASN A 16 -6.561 -5.743 -8.044 1.00 0.00 C ATOM 132 O ASN A 16 -5.528 -5.122 -8.288 1.00 0.00 O ATOM 133 CB ASN A 16 -8.040 -3.993 -7.105 1.00 0.00 C ATOM 134 CG ASN A 16 -9.118 -4.074 -8.188 1.00 0.00 C ATOM 135 OD1 ASN A 16 -9.002 -4.799 -9.163 1.00 0.00 O ATOM 136 ND2 ASN A 16 -10.170 -3.292 -7.963 1.00 0.00 N ATOM 0 H ASN A 16 -5.964 -4.557 -5.576 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.224 -6.096 -6.688 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.472 -3.600 -6.185 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -7.261 -3.297 -7.414 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -10.944 -3.275 -8.627 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.203 -2.710 -7.126 1.00 0.00 H new ATOM 143 N PRO A 17 -7.028 -6.784 -8.785 1.00 0.00 N ATOM 144 CA PRO A 17 -6.308 -7.248 -9.960 1.00 0.00 C ATOM 145 C PRO A 17 -6.495 -6.284 -11.133 1.00 0.00 C ATOM 146 O PRO A 17 -5.978 -6.521 -12.224 1.00 0.00 O ATOM 147 CB PRO A 17 -6.863 -8.636 -10.237 1.00 0.00 C ATOM 148 CG PRO A 17 -8.189 -8.710 -9.498 1.00 0.00 C ATOM 149 CD PRO A 17 -8.247 -7.543 -8.526 1.00 0.00 C ATOM 0 HA PRO A 17 -5.230 -7.288 -9.805 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -7.003 -8.795 -11.306 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.177 -9.408 -9.887 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -9.021 -8.663 -10.201 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -8.276 -9.656 -8.964 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -9.135 -6.934 -8.691 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.286 -7.889 -7.493 1.00 0.00 H new ATOM 157 N VAL A 18 -7.235 -5.217 -10.869 1.00 0.00 N ATOM 158 CA VAL A 18 -7.495 -4.216 -11.890 1.00 0.00 C ATOM 159 C VAL A 18 -6.186 -3.862 -12.597 1.00 0.00 C ATOM 160 O VAL A 18 -6.123 -3.849 -13.825 1.00 0.00 O ATOM 161 CB VAL A 18 -8.186 -3.001 -11.267 1.00 0.00 C ATOM 162 CG1 VAL A 18 -7.364 -2.438 -10.106 1.00 0.00 C ATOM 163 CG2 VAL A 18 -8.457 -1.924 -12.320 1.00 0.00 C ATOM 0 H VAL A 18 -7.663 -5.024 -9.963 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.176 -4.609 -12.645 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.146 -3.330 -10.869 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -7.877 -1.575 -9.681 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.245 -3.204 -9.339 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.383 -2.133 -10.469 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.949 -1.072 -11.851 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.514 -1.601 -12.761 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.102 -2.331 -13.099 1.00 0.00 H new ATOM 173 N TYR A 19 -5.172 -3.583 -11.791 1.00 0.00 N ATOM 174 CA TYR A 19 -3.867 -3.229 -12.324 1.00 0.00 C ATOM 175 C TYR A 19 -3.234 -4.415 -13.055 1.00 0.00 C ATOM 176 O TYR A 19 -2.505 -4.231 -14.029 1.00 0.00 O ATOM 177 CB TYR A 19 -3.001 -2.869 -11.115 1.00 0.00 C ATOM 178 CG TYR A 19 -3.017 -1.381 -10.759 1.00 0.00 C ATOM 179 CD1 TYR A 19 -4.141 -0.623 -11.014 1.00 0.00 C ATOM 180 CD2 TYR A 19 -1.907 -0.798 -10.183 1.00 0.00 C ATOM 181 CE1 TYR A 19 -4.156 0.777 -10.679 1.00 0.00 C ATOM 182 CE2 TYR A 19 -1.921 0.602 -9.848 1.00 0.00 C ATOM 183 CZ TYR A 19 -3.046 1.321 -10.112 1.00 0.00 C ATOM 184 OH TYR A 19 -3.060 2.644 -9.796 1.00 0.00 O ATOM 0 H TYR A 19 -5.228 -3.595 -10.773 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.953 -2.408 -13.036 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -3.342 -3.442 -10.253 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.973 -3.174 -11.313 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -5.010 -1.080 -11.465 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -1.027 -1.392 -9.983 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.029 1.382 -10.874 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.059 1.071 -9.398 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.761 2.762 -8.870 1.00 0.00 H new ATOM 194 N GLU A 20 -3.536 -5.605 -12.558 1.00 0.00 N ATOM 195 CA GLU A 20 -3.006 -6.820 -13.152 1.00 0.00 C ATOM 196 C GLU A 20 -3.391 -6.900 -14.631 1.00 0.00 C ATOM 197 O GLU A 20 -2.652 -7.460 -15.439 1.00 0.00 O ATOM 198 CB GLU A 20 -3.488 -8.058 -12.392 1.00 0.00 C ATOM 199 CG GLU A 20 -2.333 -8.727 -11.645 1.00 0.00 C ATOM 200 CD GLU A 20 -1.833 -9.961 -12.399 1.00 0.00 C ATOM 201 OE1 GLU A 20 -2.628 -10.649 -13.056 1.00 0.00 O ATOM 202 OE2 GLU A 20 -0.570 -10.194 -12.285 1.00 0.00 O ATOM 0 H GLU A 20 -4.141 -5.754 -11.750 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.919 -6.791 -13.081 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.267 -7.774 -11.685 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.934 -8.767 -13.090 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.516 -8.017 -11.521 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.660 -9.015 -10.646 1.00 0.00 H new ATOM 210 N LYS A 21 -4.547 -6.332 -14.940 1.00 0.00 N ATOM 211 CA LYS A 21 -5.039 -6.332 -16.307 1.00 0.00 C ATOM 212 C LYS A 21 -4.051 -5.580 -17.200 1.00 0.00 C ATOM 213 O LYS A 21 -3.758 -6.017 -18.312 1.00 0.00 O ATOM 214 CB LYS A 21 -6.464 -5.778 -16.364 1.00 0.00 C ATOM 215 CG LYS A 21 -6.479 -4.362 -16.942 1.00 0.00 C ATOM 216 CD LYS A 21 -7.911 -3.841 -17.081 1.00 0.00 C ATOM 217 CE LYS A 21 -8.277 -3.628 -18.551 1.00 0.00 C ATOM 218 NZ LYS A 21 -9.483 -4.408 -18.904 1.00 0.00 N ATOM 0 H LYS A 21 -5.157 -5.868 -14.267 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.103 -7.351 -16.689 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -7.088 -6.431 -16.975 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.895 -5.771 -15.363 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.907 -3.696 -16.296 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -5.991 -4.358 -17.916 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.605 -4.550 -16.629 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.015 -2.902 -16.537 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.454 -2.569 -18.738 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.444 -3.928 -19.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.717 -4.252 -19.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.301 -5.420 -18.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.280 -4.102 -18.310 1.00 0.00 H new ATOM 229 N TYR A 22 -3.565 -4.463 -16.680 1.00 0.00 N ATOM 230 CA TYR A 22 -2.615 -3.646 -17.417 1.00 0.00 C ATOM 231 C TYR A 22 -1.210 -4.247 -17.354 1.00 0.00 C ATOM 232 O TYR A 22 -0.513 -4.314 -18.366 1.00 0.00 O ATOM 233 CB TYR A 22 -2.605 -2.282 -16.723 1.00 0.00 C ATOM 234 CG TYR A 22 -3.986 -1.637 -16.600 1.00 0.00 C ATOM 235 CD1 TYR A 22 -4.883 -1.720 -17.645 1.00 0.00 C ATOM 236 CD2 TYR A 22 -4.336 -0.971 -15.442 1.00 0.00 C ATOM 237 CE1 TYR A 22 -6.183 -1.112 -17.529 1.00 0.00 C ATOM 238 CE2 TYR A 22 -5.636 -0.363 -15.326 1.00 0.00 C ATOM 239 CZ TYR A 22 -6.496 -0.463 -16.375 1.00 0.00 C ATOM 240 OH TYR A 22 -7.724 0.111 -16.265 1.00 0.00 O ATOM 0 H TYR A 22 -3.811 -4.104 -15.757 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.900 -3.579 -18.467 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.178 -2.396 -15.726 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.949 -1.609 -17.276 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -4.610 -2.241 -18.551 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.635 -0.906 -14.623 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -6.894 -1.170 -18.340 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -5.922 0.161 -14.426 1.00 0.00 H new ATOM 0 HH TYR A 22 -8.141 -0.167 -15.423 1.00 0.00 H new ATOM 250 N TYR A 23 -0.835 -4.671 -16.156 1.00 0.00 N ATOM 251 CA TYR A 23 0.475 -5.264 -15.948 1.00 0.00 C ATOM 252 C TYR A 23 0.714 -6.420 -16.921 1.00 0.00 C ATOM 253 O TYR A 23 1.858 -6.748 -17.233 1.00 0.00 O ATOM 254 CB TYR A 23 0.468 -5.810 -14.519 1.00 0.00 C ATOM 255 CG TYR A 23 1.630 -6.756 -14.209 1.00 0.00 C ATOM 256 CD1 TYR A 23 2.929 -6.292 -14.253 1.00 0.00 C ATOM 257 CD2 TYR A 23 1.379 -8.074 -13.884 1.00 0.00 C ATOM 258 CE1 TYR A 23 4.022 -7.183 -13.961 1.00 0.00 C ATOM 259 CE2 TYR A 23 2.472 -8.964 -13.592 1.00 0.00 C ATOM 260 CZ TYR A 23 3.740 -8.475 -13.645 1.00 0.00 C ATOM 261 OH TYR A 23 4.773 -9.316 -13.370 1.00 0.00 O ATOM 0 H TYR A 23 -1.416 -4.616 -15.319 1.00 0.00 H new ATOM 0 HA TYR A 23 1.261 -4.526 -16.110 1.00 0.00 H new ATOM 0 HB2 TYR A 23 0.498 -4.973 -13.821 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -0.471 -6.336 -14.346 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.126 -5.261 -14.506 1.00 0.00 H new ATOM 0 HD2 TYR A 23 0.363 -8.437 -13.849 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.043 -6.833 -13.992 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.289 -9.997 -13.336 1.00 0.00 H new ATOM 0 HH TYR A 23 4.423 -10.207 -13.160 1.00 0.00 H new ATOM 271 N ARG A 24 -0.385 -7.007 -17.375 1.00 0.00 N ATOM 272 CA ARG A 24 -0.309 -8.119 -18.306 1.00 0.00 C ATOM 273 C ARG A 24 -0.503 -7.624 -19.741 1.00 0.00 C ATOM 274 O ARG A 24 -0.143 -8.313 -20.694 1.00 0.00 O ATOM 275 CB ARG A 24 -1.370 -9.175 -17.990 1.00 0.00 C ATOM 276 CG ARG A 24 -1.049 -10.499 -18.686 1.00 0.00 C ATOM 277 CD ARG A 24 -0.897 -11.631 -17.668 1.00 0.00 C ATOM 278 NE ARG A 24 -2.229 -12.074 -17.201 1.00 0.00 N ATOM 279 CZ ARG A 24 -2.426 -13.058 -16.297 1.00 0.00 C ATOM 280 NH1 ARG A 24 -1.375 -13.711 -15.756 1.00 0.00 N ATOM 281 NH2 ARG A 24 -3.660 -13.373 -15.952 1.00 0.00 N ATOM 0 H ARG A 24 -1.332 -6.733 -17.115 1.00 0.00 H new ATOM 0 HA ARG A 24 0.678 -8.570 -18.204 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.424 -9.330 -16.912 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.349 -8.819 -18.311 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.842 -10.744 -19.392 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.129 -10.397 -19.262 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.364 -12.468 -18.119 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -0.300 -11.292 -16.821 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.050 -11.607 -17.586 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.424 -13.462 -16.029 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.532 -14.453 -15.074 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.448 -12.876 -16.367 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.826 -14.114 -15.271 1.00 0.00 H new ATOM 294 N GLN A 25 -1.073 -6.433 -19.850 1.00 0.00 N ATOM 295 CA GLN A 25 -1.320 -5.837 -21.152 1.00 0.00 C ATOM 296 C GLN A 25 0.003 -5.565 -21.870 1.00 0.00 C ATOM 297 O GLN A 25 0.063 -5.587 -23.099 1.00 0.00 O ATOM 298 CB GLN A 25 -2.147 -4.557 -21.022 1.00 0.00 C ATOM 299 CG GLN A 25 -3.645 -4.866 -21.054 1.00 0.00 C ATOM 300 CD GLN A 25 -4.340 -4.094 -22.178 1.00 0.00 C ATOM 301 OE1 GLN A 25 -4.893 -4.662 -23.106 1.00 0.00 O ATOM 302 NE2 GLN A 25 -4.282 -2.773 -22.043 1.00 0.00 N ATOM 0 H GLN A 25 -1.371 -5.864 -19.057 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.897 -6.543 -21.749 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -1.896 -4.051 -20.090 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.896 -3.874 -21.833 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.796 -5.936 -21.195 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.095 -4.604 -20.096 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.803 -2.363 -21.241 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.717 -2.169 -22.741 1.00 0.00 H new ATOM 311 N VAL A 26 1.031 -5.313 -21.074 1.00 0.00 N ATOM 312 CA VAL A 26 2.350 -5.037 -21.618 1.00 0.00 C ATOM 313 C VAL A 26 3.080 -6.357 -21.870 1.00 0.00 C ATOM 314 O VAL A 26 3.659 -6.557 -22.936 1.00 0.00 O ATOM 315 CB VAL A 26 3.116 -4.098 -20.683 1.00 0.00 C ATOM 316 CG1 VAL A 26 2.205 -2.989 -20.153 1.00 0.00 C ATOM 317 CG2 VAL A 26 3.760 -4.876 -19.534 1.00 0.00 C ATOM 0 H VAL A 26 0.978 -5.294 -20.056 1.00 0.00 H new ATOM 0 HA VAL A 26 2.268 -4.524 -22.576 1.00 0.00 H new ATOM 0 HB VAL A 26 3.914 -3.628 -21.258 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.774 -2.336 -19.491 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.815 -2.408 -20.989 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.376 -3.432 -19.601 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.298 -4.186 -18.884 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.986 -5.385 -18.961 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.456 -5.612 -19.938 1.00 0.00 H new ATOM 327 N GLU A 27 3.030 -7.225 -20.869 1.00 0.00 N ATOM 328 CA GLU A 27 3.679 -8.521 -20.969 1.00 0.00 C ATOM 329 C GLU A 27 3.519 -9.088 -22.380 1.00 0.00 C ATOM 330 O GLU A 27 2.495 -8.872 -23.027 1.00 0.00 O ATOM 331 CB GLU A 27 3.129 -9.491 -19.922 1.00 0.00 C ATOM 332 CG GLU A 27 3.848 -10.840 -19.994 1.00 0.00 C ATOM 333 CD GLU A 27 2.932 -11.919 -20.576 1.00 0.00 C ATOM 334 OE1 GLU A 27 1.725 -11.929 -20.289 1.00 0.00 O ATOM 335 OE2 GLU A 27 3.514 -12.767 -21.354 1.00 0.00 O ATOM 0 H GLU A 27 2.550 -7.056 -19.985 1.00 0.00 H new ATOM 0 HA GLU A 27 4.743 -8.389 -20.771 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.249 -9.064 -18.926 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.060 -9.635 -20.080 1.00 0.00 H new ATOM 0 HG2 GLU A 27 4.743 -10.747 -20.609 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.176 -11.135 -18.997 1.00 0.00 H new ATOM 343 N ALA A 28 4.545 -9.803 -22.817 1.00 0.00 N ATOM 344 CA ALA A 28 4.531 -10.403 -24.140 1.00 0.00 C ATOM 345 C ALA A 28 4.454 -11.925 -24.004 1.00 0.00 C ATOM 346 O ALA A 28 5.324 -12.542 -23.390 1.00 0.00 O ATOM 347 CB ALA A 28 5.766 -9.949 -24.920 1.00 0.00 C ATOM 0 H ALA A 28 5.392 -9.980 -22.278 1.00 0.00 H new ATOM 0 HA ALA A 28 3.654 -10.077 -24.700 1.00 0.00 H new ATOM 0 HB1 ALA A 28 5.755 -10.399 -25.913 1.00 0.00 H new ATOM 0 HB2 ALA A 28 5.758 -8.863 -25.014 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.666 -10.261 -24.390 1.00 0.00 H new ATOM 353 N GLY A 29 3.406 -12.487 -24.587 1.00 0.00 N ATOM 354 CA GLY A 29 3.204 -13.925 -24.539 1.00 0.00 C ATOM 355 C GLY A 29 2.286 -14.311 -23.378 1.00 0.00 C ATOM 356 O GLY A 29 1.675 -13.447 -22.751 1.00 0.00 O ATOM 0 H GLY A 29 2.687 -11.972 -25.096 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.771 -14.267 -25.479 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.165 -14.427 -24.430 1.00 0.00 H new ATOM 360 N ASN A 30 2.219 -15.610 -23.125 1.00 0.00 N ATOM 361 CA ASN A 30 1.386 -16.122 -22.050 1.00 0.00 C ATOM 362 C ASN A 30 2.265 -16.854 -21.034 1.00 0.00 C ATOM 363 O ASN A 30 1.968 -17.985 -20.652 1.00 0.00 O ATOM 364 CB ASN A 30 0.349 -17.114 -22.581 1.00 0.00 C ATOM 365 CG ASN A 30 -0.932 -16.394 -23.006 1.00 0.00 C ATOM 366 OD1 ASN A 30 -0.951 -15.602 -23.934 1.00 0.00 O ATOM 367 ND2 ASN A 30 -1.998 -16.712 -22.278 1.00 0.00 N ATOM 0 H ASN A 30 2.728 -16.324 -23.646 1.00 0.00 H new ATOM 0 HA ASN A 30 0.873 -15.278 -21.589 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.763 -17.659 -23.430 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.118 -17.851 -21.812 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.901 -16.285 -22.483 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.913 -17.383 -21.515 1.00 0.00 H new ATOM 374 N THR A 31 3.329 -16.179 -20.626 1.00 0.00 N ATOM 375 CA THR A 31 4.253 -16.752 -19.661 1.00 0.00 C ATOM 376 C THR A 31 3.951 -16.227 -18.256 1.00 0.00 C ATOM 377 O THR A 31 3.975 -16.985 -17.288 1.00 0.00 O ATOM 378 CB THR A 31 5.677 -16.445 -20.131 1.00 0.00 C ATOM 379 OG1 THR A 31 5.697 -15.028 -20.276 1.00 0.00 O ATOM 380 CG2 THR A 31 5.953 -16.968 -21.542 1.00 0.00 C ATOM 0 H THR A 31 3.572 -15.241 -20.945 1.00 0.00 H new ATOM 0 HA THR A 31 4.141 -17.834 -19.600 1.00 0.00 H new ATOM 0 HB THR A 31 6.392 -16.884 -19.435 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.585 -14.742 -20.577 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.976 -16.724 -21.827 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.819 -18.050 -21.562 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.261 -16.504 -22.244 1.00 0.00 H new ATOM 388 N GLY A 32 3.674 -14.933 -18.190 1.00 0.00 N ATOM 389 CA GLY A 32 3.367 -14.298 -16.919 1.00 0.00 C ATOM 390 C GLY A 32 4.556 -13.478 -16.415 1.00 0.00 C ATOM 391 O GLY A 32 4.715 -13.284 -15.211 1.00 0.00 O ATOM 0 H GLY A 32 3.656 -14.307 -18.995 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.497 -13.652 -17.032 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.106 -15.058 -16.182 1.00 0.00 H new ATOM 395 N ARG A 33 5.362 -13.019 -17.362 1.00 0.00 N ATOM 396 CA ARG A 33 6.532 -12.225 -17.028 1.00 0.00 C ATOM 397 C ARG A 33 6.599 -10.980 -17.916 1.00 0.00 C ATOM 398 O ARG A 33 6.509 -11.080 -19.139 1.00 0.00 O ATOM 399 CB ARG A 33 7.817 -13.037 -17.203 1.00 0.00 C ATOM 400 CG ARG A 33 7.853 -14.220 -16.234 1.00 0.00 C ATOM 401 CD ARG A 33 8.908 -14.007 -15.147 1.00 0.00 C ATOM 402 NE ARG A 33 8.260 -13.941 -13.818 1.00 0.00 N ATOM 403 CZ ARG A 33 8.933 -13.856 -12.651 1.00 0.00 C ATOM 404 NH1 ARG A 33 10.283 -13.825 -12.639 1.00 0.00 N ATOM 405 NH2 ARG A 33 8.252 -13.803 -11.522 1.00 0.00 N ATOM 0 H ARG A 33 5.228 -13.182 -18.360 1.00 0.00 H new ATOM 0 HA ARG A 33 6.444 -11.927 -15.983 1.00 0.00 H new ATOM 0 HB2 ARG A 33 7.885 -13.400 -18.229 1.00 0.00 H new ATOM 0 HB3 ARG A 33 8.682 -12.396 -17.033 1.00 0.00 H new ATOM 0 HG2 ARG A 33 6.873 -14.348 -15.774 1.00 0.00 H new ATOM 0 HG3 ARG A 33 8.070 -15.137 -16.782 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.632 -14.821 -15.167 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.458 -13.086 -15.338 1.00 0.00 H new ATOM 0 HE ARG A 33 7.241 -13.961 -13.782 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.802 -13.866 -13.516 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.784 -13.761 -11.753 1.00 0.00 H new ATOM 0 HH21 ARG A 33 7.232 -13.826 -11.540 1.00 0.00 H new ATOM 0 HH22 ARG A 33 8.745 -13.739 -10.631 1.00 0.00 H new ATOM 418 N VAL A 34 6.755 -9.836 -17.265 1.00 0.00 N ATOM 419 CA VAL A 34 6.835 -8.574 -17.980 1.00 0.00 C ATOM 420 C VAL A 34 8.294 -8.292 -18.347 1.00 0.00 C ATOM 421 O VAL A 34 9.124 -8.058 -17.470 1.00 0.00 O ATOM 422 CB VAL A 34 6.202 -7.459 -17.146 1.00 0.00 C ATOM 423 CG1 VAL A 34 6.083 -6.167 -17.957 1.00 0.00 C ATOM 424 CG2 VAL A 34 4.841 -7.890 -16.598 1.00 0.00 C ATOM 0 H VAL A 34 6.828 -9.757 -16.251 1.00 0.00 H new ATOM 0 HA VAL A 34 6.270 -8.626 -18.911 1.00 0.00 H new ATOM 0 HB VAL A 34 6.857 -7.262 -16.298 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.630 -5.391 -17.340 1.00 0.00 H new ATOM 0 HG12 VAL A 34 7.074 -5.845 -18.276 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.460 -6.344 -18.834 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.413 -7.079 -16.009 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.174 -8.128 -17.427 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.965 -8.770 -15.967 1.00 0.00 H new ATOM 434 N LEU A 35 8.561 -8.323 -19.644 1.00 0.00 N ATOM 435 CA LEU A 35 9.905 -8.074 -20.138 1.00 0.00 C ATOM 436 C LEU A 35 10.337 -6.662 -19.736 1.00 0.00 C ATOM 437 O LEU A 35 11.512 -6.314 -19.846 1.00 0.00 O ATOM 438 CB LEU A 35 9.980 -8.335 -21.643 1.00 0.00 C ATOM 439 CG LEU A 35 10.798 -9.554 -22.072 1.00 0.00 C ATOM 440 CD1 LEU A 35 10.523 -9.912 -23.534 1.00 0.00 C ATOM 441 CD2 LEU A 35 12.289 -9.335 -21.807 1.00 0.00 C ATOM 0 H LEU A 35 7.870 -8.517 -20.368 1.00 0.00 H new ATOM 0 HA LEU A 35 10.613 -8.767 -19.683 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.965 -8.452 -22.022 1.00 0.00 H new ATOM 0 HB3 LEU A 35 10.401 -7.452 -22.124 1.00 0.00 H new ATOM 0 HG LEU A 35 10.485 -10.405 -21.467 1.00 0.00 H new ATOM 0 HD11 LEU A 35 11.117 -10.782 -23.814 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.465 -10.140 -23.660 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.791 -9.070 -24.172 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.848 -10.217 -22.121 1.00 0.00 H new ATOM 0 HD22 LEU A 35 12.635 -8.467 -22.369 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.448 -9.165 -20.742 1.00 0.00 H new ATOM 453 N ALA A 36 9.365 -5.887 -19.278 1.00 0.00 N ATOM 454 CA ALA A 36 9.630 -4.521 -18.860 1.00 0.00 C ATOM 455 C ALA A 36 9.566 -3.598 -20.078 1.00 0.00 C ATOM 456 O ALA A 36 8.847 -2.600 -20.068 1.00 0.00 O ATOM 457 CB ALA A 36 10.984 -4.459 -18.150 1.00 0.00 C ATOM 0 H ALA A 36 8.392 -6.179 -19.187 1.00 0.00 H new ATOM 0 HA ALA A 36 8.875 -4.182 -18.151 1.00 0.00 H new ATOM 0 HB1 ALA A 36 11.184 -3.434 -17.836 1.00 0.00 H new ATOM 0 HB2 ALA A 36 10.966 -5.110 -17.276 1.00 0.00 H new ATOM 0 HB3 ALA A 36 11.768 -4.789 -18.832 1.00 0.00 H new ATOM 463 N LEU A 37 10.329 -3.963 -21.098 1.00 0.00 N ATOM 464 CA LEU A 37 10.368 -3.180 -22.321 1.00 0.00 C ATOM 465 C LEU A 37 8.941 -2.818 -22.736 1.00 0.00 C ATOM 466 O LEU A 37 8.673 -1.683 -23.126 1.00 0.00 O ATOM 467 CB LEU A 37 11.156 -3.919 -23.405 1.00 0.00 C ATOM 468 CG LEU A 37 12.668 -3.689 -23.410 1.00 0.00 C ATOM 469 CD1 LEU A 37 13.020 -2.364 -24.090 1.00 0.00 C ATOM 470 CD2 LEU A 37 13.240 -3.776 -21.993 1.00 0.00 C ATOM 0 H LEU A 37 10.925 -4.791 -21.102 1.00 0.00 H new ATOM 0 HA LEU A 37 10.899 -2.242 -22.157 1.00 0.00 H new ATOM 0 HB2 LEU A 37 10.972 -4.988 -23.295 1.00 0.00 H new ATOM 0 HB3 LEU A 37 10.761 -3.625 -24.377 1.00 0.00 H new ATOM 0 HG LEU A 37 13.132 -4.483 -23.995 1.00 0.00 H new ATOM 0 HD11 LEU A 37 14.101 -2.226 -24.080 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.666 -2.379 -25.121 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.544 -1.543 -23.555 1.00 0.00 H new ATOM 0 HD21 LEU A 37 14.317 -3.609 -22.024 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.773 -3.017 -21.365 1.00 0.00 H new ATOM 0 HD23 LEU A 37 13.038 -4.764 -21.579 1.00 0.00 H new ATOM 482 N ASP A 38 8.062 -3.805 -22.639 1.00 0.00 N ATOM 483 CA ASP A 38 6.669 -3.605 -23.000 1.00 0.00 C ATOM 484 C ASP A 38 6.004 -2.696 -21.964 1.00 0.00 C ATOM 485 O ASP A 38 5.118 -1.911 -22.300 1.00 0.00 O ATOM 486 CB ASP A 38 5.909 -4.933 -23.020 1.00 0.00 C ATOM 487 CG ASP A 38 5.601 -5.481 -24.414 1.00 0.00 C ATOM 488 OD1 ASP A 38 6.467 -6.074 -25.073 1.00 0.00 O ATOM 489 OD2 ASP A 38 4.396 -5.274 -24.827 1.00 0.00 O ATOM 0 H ASP A 38 8.288 -4.746 -22.315 1.00 0.00 H new ATOM 0 HA ASP A 38 6.639 -3.157 -23.993 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.491 -5.676 -22.475 1.00 0.00 H new ATOM 0 HB3 ASP A 38 4.970 -4.805 -22.481 1.00 0.00 H new ATOM 495 N ALA A 39 6.457 -2.831 -20.727 1.00 0.00 N ATOM 496 CA ALA A 39 5.918 -2.032 -19.640 1.00 0.00 C ATOM 497 C ALA A 39 6.019 -0.549 -20.005 1.00 0.00 C ATOM 498 O ALA A 39 5.025 0.174 -19.964 1.00 0.00 O ATOM 499 CB ALA A 39 6.658 -2.365 -18.344 1.00 0.00 C ATOM 0 H ALA A 39 7.192 -3.483 -20.453 1.00 0.00 H new ATOM 0 HA ALA A 39 4.865 -2.262 -19.481 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.253 -1.765 -17.529 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.531 -3.423 -18.114 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.719 -2.145 -18.464 1.00 0.00 H new ATOM 505 N ALA A 40 7.230 -0.140 -20.353 1.00 0.00 N ATOM 506 CA ALA A 40 7.475 1.243 -20.725 1.00 0.00 C ATOM 507 C ALA A 40 6.650 1.587 -21.967 1.00 0.00 C ATOM 508 O ALA A 40 6.330 2.751 -22.201 1.00 0.00 O ATOM 509 CB ALA A 40 8.974 1.456 -20.943 1.00 0.00 C ATOM 0 H ALA A 40 8.053 -0.742 -20.385 1.00 0.00 H new ATOM 0 HA ALA A 40 7.163 1.916 -19.926 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.157 2.494 -21.222 1.00 0.00 H new ATOM 0 HB2 ALA A 40 9.512 1.227 -20.023 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.323 0.799 -21.740 1.00 0.00 H new ATOM 515 N ALA A 41 6.330 0.552 -22.730 1.00 0.00 N ATOM 516 CA ALA A 41 5.549 0.730 -23.942 1.00 0.00 C ATOM 517 C ALA A 41 4.195 1.347 -23.586 1.00 0.00 C ATOM 518 O ALA A 41 3.858 2.429 -24.064 1.00 0.00 O ATOM 519 CB ALA A 41 5.405 -0.615 -24.659 1.00 0.00 C ATOM 0 H ALA A 41 6.597 -0.412 -22.532 1.00 0.00 H new ATOM 0 HA ALA A 41 6.053 1.413 -24.626 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.819 -0.482 -25.568 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.393 -0.998 -24.917 1.00 0.00 H new ATOM 0 HB3 ALA A 41 4.901 -1.325 -24.003 1.00 0.00 H new ATOM 525 N PHE A 42 3.457 0.634 -22.749 1.00 0.00 N ATOM 526 CA PHE A 42 2.148 1.098 -22.323 1.00 0.00 C ATOM 527 C PHE A 42 2.262 2.393 -21.516 1.00 0.00 C ATOM 528 O PHE A 42 1.447 3.301 -21.674 1.00 0.00 O ATOM 529 CB PHE A 42 1.554 0.006 -21.431 1.00 0.00 C ATOM 530 CG PHE A 42 0.369 0.472 -20.582 1.00 0.00 C ATOM 531 CD1 PHE A 42 -0.792 0.845 -21.182 1.00 0.00 C ATOM 532 CD2 PHE A 42 0.478 0.513 -19.227 1.00 0.00 C ATOM 533 CE1 PHE A 42 -1.892 1.277 -20.395 1.00 0.00 C ATOM 534 CE2 PHE A 42 -0.622 0.945 -18.439 1.00 0.00 C ATOM 535 CZ PHE A 42 -1.783 1.318 -19.040 1.00 0.00 C ATOM 0 H PHE A 42 3.741 -0.263 -22.354 1.00 0.00 H new ATOM 0 HA PHE A 42 1.522 1.297 -23.193 1.00 0.00 H new ATOM 0 HB2 PHE A 42 1.234 -0.826 -22.058 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.334 -0.374 -20.771 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -0.878 0.813 -22.258 1.00 0.00 H new ATOM 0 HD2 PHE A 42 1.401 0.217 -18.750 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -2.815 1.573 -20.872 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -0.536 0.977 -17.363 1.00 0.00 H new ATOM 0 HZ PHE A 42 -2.619 1.647 -18.441 1.00 0.00 H new ATOM 545 N LEU A 43 3.279 2.437 -20.668 1.00 0.00 N ATOM 546 CA LEU A 43 3.510 3.606 -19.837 1.00 0.00 C ATOM 547 C LEU A 43 3.471 4.863 -20.708 1.00 0.00 C ATOM 548 O LEU A 43 2.806 5.839 -20.367 1.00 0.00 O ATOM 549 CB LEU A 43 4.807 3.449 -19.040 1.00 0.00 C ATOM 550 CG LEU A 43 4.772 2.436 -17.894 1.00 0.00 C ATOM 551 CD1 LEU A 43 6.175 2.194 -17.335 1.00 0.00 C ATOM 552 CD2 LEU A 43 3.789 2.872 -16.807 1.00 0.00 C ATOM 0 H LEU A 43 3.952 1.682 -20.539 1.00 0.00 H new ATOM 0 HA LEU A 43 2.718 3.708 -19.095 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.601 3.161 -19.729 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.078 4.422 -18.630 1.00 0.00 H new ATOM 0 HG LEU A 43 4.414 1.485 -18.288 1.00 0.00 H new ATOM 0 HD11 LEU A 43 6.123 1.470 -16.522 1.00 0.00 H new ATOM 0 HD12 LEU A 43 6.819 1.807 -18.124 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.584 3.132 -16.960 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.783 2.135 -16.004 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.093 3.840 -16.408 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.789 2.953 -17.232 1.00 0.00 H new ATOM 564 N LYS A 44 4.194 4.798 -21.817 1.00 0.00 N ATOM 565 CA LYS A 44 4.250 5.918 -22.741 1.00 0.00 C ATOM 566 C LYS A 44 2.835 6.444 -22.985 1.00 0.00 C ATOM 567 O LYS A 44 2.653 7.611 -23.330 1.00 0.00 O ATOM 568 CB LYS A 44 4.988 5.521 -24.021 1.00 0.00 C ATOM 569 CG LYS A 44 6.485 5.816 -23.906 1.00 0.00 C ATOM 570 CD LYS A 44 7.068 6.227 -25.259 1.00 0.00 C ATOM 571 CE LYS A 44 8.019 5.154 -25.794 1.00 0.00 C ATOM 572 NZ LYS A 44 8.448 5.482 -27.172 1.00 0.00 N ATOM 0 H LYS A 44 4.746 3.987 -22.096 1.00 0.00 H new ATOM 0 HA LYS A 44 4.825 6.738 -22.311 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.837 4.460 -24.217 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.571 6.064 -24.869 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.648 6.612 -23.179 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.006 4.933 -23.535 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.260 6.391 -25.972 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.601 7.173 -25.158 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.891 5.076 -25.144 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.524 4.183 -25.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.093 4.744 -27.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.615 5.534 -27.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.939 6.399 -27.174 1.00 0.00 H new ATOM 583 N LYS A 45 1.868 5.559 -22.796 1.00 0.00 N ATOM 584 CA LYS A 45 0.474 5.920 -22.991 1.00 0.00 C ATOM 585 C LYS A 45 -0.043 6.636 -21.742 1.00 0.00 C ATOM 586 O LYS A 45 -1.238 6.606 -21.454 1.00 0.00 O ATOM 587 CB LYS A 45 -0.349 4.689 -23.379 1.00 0.00 C ATOM 588 CG LYS A 45 0.389 3.841 -24.416 1.00 0.00 C ATOM 589 CD LYS A 45 -0.459 3.654 -25.675 1.00 0.00 C ATOM 590 CE LYS A 45 -1.255 2.349 -25.611 1.00 0.00 C ATOM 591 NZ LYS A 45 -1.852 2.041 -26.930 1.00 0.00 N ATOM 0 H LYS A 45 2.022 4.592 -22.510 1.00 0.00 H new ATOM 0 HA LYS A 45 0.374 6.617 -23.823 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.553 4.089 -22.492 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.313 5.003 -23.780 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.333 4.319 -24.677 1.00 0.00 H new ATOM 0 HG3 LYS A 45 0.632 2.868 -23.989 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -1.142 4.496 -25.786 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.185 3.648 -26.554 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.602 1.533 -25.301 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.041 2.432 -24.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -2.389 1.152 -26.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.490 2.813 -27.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.097 1.941 -27.638 1.00 0.00 H new ATOM 602 N SER A 46 0.884 7.264 -21.033 1.00 0.00 N ATOM 603 CA SER A 46 0.537 7.987 -19.821 1.00 0.00 C ATOM 604 C SER A 46 0.260 9.456 -20.149 1.00 0.00 C ATOM 605 O SER A 46 -0.895 9.858 -20.284 1.00 0.00 O ATOM 606 CB SER A 46 1.650 7.877 -18.777 1.00 0.00 C ATOM 607 OG SER A 46 2.853 8.505 -19.211 1.00 0.00 O ATOM 0 H SER A 46 1.875 7.287 -21.275 1.00 0.00 H new ATOM 0 HA SER A 46 -0.364 7.539 -19.401 1.00 0.00 H new ATOM 0 HB2 SER A 46 1.319 8.334 -17.844 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.846 6.826 -18.565 1.00 0.00 H new ATOM 0 HG SER A 46 3.349 7.894 -19.795 1.00 0.00 H new ATOM 613 N GLY A 47 1.338 10.216 -20.268 1.00 0.00 N ATOM 614 CA GLY A 47 1.226 11.631 -20.578 1.00 0.00 C ATOM 615 C GLY A 47 2.557 12.350 -20.349 1.00 0.00 C ATOM 616 O GLY A 47 2.852 13.343 -21.013 1.00 0.00 O ATOM 0 H GLY A 47 2.294 9.879 -20.155 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.915 11.756 -21.615 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.453 12.083 -19.957 1.00 0.00 H new ATOM 620 N LEU A 48 3.324 11.821 -19.408 1.00 0.00 N ATOM 621 CA LEU A 48 4.617 12.400 -19.083 1.00 0.00 C ATOM 622 C LEU A 48 5.599 12.114 -20.222 1.00 0.00 C ATOM 623 O LEU A 48 5.375 11.213 -21.028 1.00 0.00 O ATOM 624 CB LEU A 48 5.098 11.905 -17.718 1.00 0.00 C ATOM 625 CG LEU A 48 4.519 12.628 -16.500 1.00 0.00 C ATOM 626 CD1 LEU A 48 4.637 11.765 -15.243 1.00 0.00 C ATOM 627 CD2 LEU A 48 5.171 14.001 -16.317 1.00 0.00 C ATOM 0 H LEU A 48 3.075 10.998 -18.860 1.00 0.00 H new ATOM 0 HA LEU A 48 4.538 13.483 -18.993 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.860 10.845 -17.634 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.184 11.991 -17.684 1.00 0.00 H new ATOM 0 HG LEU A 48 3.457 12.797 -16.675 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.218 12.302 -14.392 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.090 10.833 -15.389 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.687 11.543 -15.051 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.742 14.494 -15.445 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.244 13.878 -16.173 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.992 14.610 -17.203 1.00 0.00 H new ATOM 639 N PRO A 49 6.694 12.920 -20.251 1.00 0.00 N ATOM 640 CA PRO A 49 7.711 12.763 -21.277 1.00 0.00 C ATOM 641 C PRO A 49 8.580 11.534 -21.004 1.00 0.00 C ATOM 642 O PRO A 49 8.322 10.783 -20.065 1.00 0.00 O ATOM 643 CB PRO A 49 8.497 14.064 -21.254 1.00 0.00 C ATOM 644 CG PRO A 49 8.193 14.710 -19.912 1.00 0.00 C ATOM 645 CD PRO A 49 6.992 13.998 -19.313 1.00 0.00 C ATOM 0 HA PRO A 49 7.288 12.587 -22.266 1.00 0.00 H new ATOM 0 HB2 PRO A 49 9.565 13.877 -21.365 1.00 0.00 H new ATOM 0 HB3 PRO A 49 8.200 14.714 -22.077 1.00 0.00 H new ATOM 0 HG2 PRO A 49 9.053 14.632 -19.247 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.983 15.772 -20.039 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.217 13.608 -18.320 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.144 14.674 -19.205 1.00 0.00 H new ATOM 653 N ASP A 50 9.592 11.367 -21.843 1.00 0.00 N ATOM 654 CA ASP A 50 10.501 10.241 -21.703 1.00 0.00 C ATOM 655 C ASP A 50 11.563 10.576 -20.654 1.00 0.00 C ATOM 656 O ASP A 50 12.021 9.695 -19.927 1.00 0.00 O ATOM 657 CB ASP A 50 11.217 9.945 -23.023 1.00 0.00 C ATOM 658 CG ASP A 50 10.295 9.717 -24.222 1.00 0.00 C ATOM 659 OD1 ASP A 50 9.064 9.659 -24.079 1.00 0.00 O ATOM 660 OD2 ASP A 50 10.896 9.594 -25.357 1.00 0.00 O ATOM 0 H ASP A 50 9.803 11.992 -22.621 1.00 0.00 H new ATOM 0 HA ASP A 50 9.917 9.370 -21.406 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.885 10.775 -23.251 1.00 0.00 H new ATOM 0 HB3 ASP A 50 11.841 9.061 -22.890 1.00 0.00 H new ATOM 666 N LEU A 51 11.923 11.850 -20.607 1.00 0.00 N ATOM 667 CA LEU A 51 12.922 12.311 -19.659 1.00 0.00 C ATOM 668 C LEU A 51 12.445 12.012 -18.236 1.00 0.00 C ATOM 669 O LEU A 51 13.033 11.185 -17.541 1.00 0.00 O ATOM 670 CB LEU A 51 13.250 13.786 -19.900 1.00 0.00 C ATOM 671 CG LEU A 51 13.363 14.661 -18.651 1.00 0.00 C ATOM 672 CD1 LEU A 51 14.291 14.023 -17.616 1.00 0.00 C ATOM 673 CD2 LEU A 51 13.800 16.082 -19.014 1.00 0.00 C ATOM 0 H LEU A 51 11.540 12.578 -21.211 1.00 0.00 H new ATOM 0 HA LEU A 51 13.859 11.773 -19.802 1.00 0.00 H new ATOM 0 HB2 LEU A 51 14.192 13.844 -20.446 1.00 0.00 H new ATOM 0 HB3 LEU A 51 12.480 14.208 -20.546 1.00 0.00 H new ATOM 0 HG LEU A 51 12.375 14.734 -18.196 1.00 0.00 H new ATOM 0 HD11 LEU A 51 14.353 14.666 -16.738 1.00 0.00 H new ATOM 0 HD12 LEU A 51 13.897 13.049 -17.325 1.00 0.00 H new ATOM 0 HD13 LEU A 51 15.285 13.899 -18.046 1.00 0.00 H new ATOM 0 HD21 LEU A 51 13.872 16.683 -18.108 1.00 0.00 H new ATOM 0 HD22 LEU A 51 14.772 16.049 -19.506 1.00 0.00 H new ATOM 0 HD23 LEU A 51 13.067 16.527 -19.687 1.00 0.00 H new ATOM 685 N ILE A 52 11.383 12.702 -17.845 1.00 0.00 N ATOM 686 CA ILE A 52 10.820 12.521 -16.518 1.00 0.00 C ATOM 687 C ILE A 52 10.573 11.031 -16.272 1.00 0.00 C ATOM 688 O ILE A 52 10.774 10.540 -15.163 1.00 0.00 O ATOM 689 CB ILE A 52 9.572 13.388 -16.343 1.00 0.00 C ATOM 690 CG1 ILE A 52 9.903 14.870 -16.532 1.00 0.00 C ATOM 691 CG2 ILE A 52 8.902 13.118 -14.994 1.00 0.00 C ATOM 692 CD1 ILE A 52 10.509 15.463 -15.259 1.00 0.00 C ATOM 0 H ILE A 52 10.898 13.387 -18.424 1.00 0.00 H new ATOM 0 HA ILE A 52 11.524 12.858 -15.757 1.00 0.00 H new ATOM 0 HB ILE A 52 8.856 13.117 -17.119 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.602 14.987 -17.360 1.00 0.00 H new ATOM 0 HG13 ILE A 52 8.999 15.417 -16.798 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.017 13.747 -14.895 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.610 12.069 -14.936 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.601 13.345 -14.189 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.735 16.517 -15.420 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.798 15.366 -14.438 1.00 0.00 H new ATOM 0 HD13 ILE A 52 11.426 14.929 -15.010 1.00 0.00 H new ATOM 704 N LEU A 53 10.141 10.354 -17.326 1.00 0.00 N ATOM 705 CA LEU A 53 9.865 8.930 -17.239 1.00 0.00 C ATOM 706 C LEU A 53 11.149 8.188 -16.865 1.00 0.00 C ATOM 707 O LEU A 53 11.164 7.404 -15.917 1.00 0.00 O ATOM 708 CB LEU A 53 9.219 8.429 -18.532 1.00 0.00 C ATOM 709 CG LEU A 53 7.692 8.343 -18.530 1.00 0.00 C ATOM 710 CD1 LEU A 53 7.161 7.986 -19.920 1.00 0.00 C ATOM 711 CD2 LEU A 53 7.199 7.368 -17.460 1.00 0.00 C ATOM 0 H LEU A 53 9.975 10.765 -18.245 1.00 0.00 H new ATOM 0 HA LEU A 53 9.140 8.730 -16.450 1.00 0.00 H new ATOM 0 HB2 LEU A 53 9.525 9.086 -19.346 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.618 7.439 -18.754 1.00 0.00 H new ATOM 0 HG LEU A 53 7.295 9.326 -18.277 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.073 7.931 -19.891 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.467 8.751 -20.634 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.565 7.021 -20.227 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.110 7.326 -17.480 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.604 6.376 -17.658 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.531 7.707 -16.479 1.00 0.00 H new ATOM 723 N GLY A 54 12.196 8.461 -17.629 1.00 0.00 N ATOM 724 CA GLY A 54 13.482 7.829 -17.390 1.00 0.00 C ATOM 725 C GLY A 54 13.777 7.734 -15.891 1.00 0.00 C ATOM 726 O GLY A 54 14.246 6.703 -15.411 1.00 0.00 O ATOM 0 H GLY A 54 12.180 9.112 -18.414 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.488 6.831 -17.829 1.00 0.00 H new ATOM 0 HA3 GLY A 54 14.269 8.399 -17.884 1.00 0.00 H new ATOM 730 N LYS A 55 13.488 8.823 -15.194 1.00 0.00 N ATOM 731 CA LYS A 55 13.716 8.876 -13.760 1.00 0.00 C ATOM 732 C LYS A 55 12.862 7.808 -13.073 1.00 0.00 C ATOM 733 O LYS A 55 13.347 7.084 -12.204 1.00 0.00 O ATOM 734 CB LYS A 55 13.474 10.291 -13.231 1.00 0.00 C ATOM 735 CG LYS A 55 14.616 11.228 -13.629 1.00 0.00 C ATOM 736 CD LYS A 55 15.515 11.538 -12.430 1.00 0.00 C ATOM 737 CE LYS A 55 16.618 10.487 -12.286 1.00 0.00 C ATOM 738 NZ LYS A 55 16.399 9.669 -11.073 1.00 0.00 N ATOM 0 H LYS A 55 13.098 9.676 -15.596 1.00 0.00 H new ATOM 0 HA LYS A 55 14.757 8.649 -13.531 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.532 10.673 -13.623 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.381 10.266 -12.145 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.207 10.770 -14.422 1.00 0.00 H new ATOM 0 HG3 LYS A 55 14.207 12.155 -14.031 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.962 12.525 -12.551 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.916 11.569 -11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.634 9.845 -13.167 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.590 10.977 -12.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 17.156 8.961 -10.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 16.406 10.283 -10.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.480 9.187 -11.141 1.00 0.00 H new ATOM 749 N ILE A 56 11.605 7.744 -13.487 1.00 0.00 N ATOM 750 CA ILE A 56 10.679 6.777 -12.923 1.00 0.00 C ATOM 751 C ILE A 56 11.272 5.372 -13.054 1.00 0.00 C ATOM 752 O ILE A 56 11.445 4.672 -12.058 1.00 0.00 O ATOM 753 CB ILE A 56 9.296 6.923 -13.561 1.00 0.00 C ATOM 754 CG1 ILE A 56 8.618 8.218 -13.110 1.00 0.00 C ATOM 755 CG2 ILE A 56 8.430 5.693 -13.279 1.00 0.00 C ATOM 756 CD1 ILE A 56 7.166 8.272 -13.589 1.00 0.00 C ATOM 0 H ILE A 56 11.206 8.347 -14.207 1.00 0.00 H new ATOM 0 HA ILE A 56 10.535 6.964 -11.859 1.00 0.00 H new ATOM 0 HB ILE A 56 9.423 6.986 -14.642 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.649 8.289 -12.023 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.166 9.075 -13.501 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.452 5.822 -13.743 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.913 4.806 -13.690 1.00 0.00 H new ATOM 0 HG23 ILE A 56 8.307 5.573 -12.203 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.707 9.203 -13.255 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.140 8.225 -14.678 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.615 7.427 -13.176 1.00 0.00 H new ATOM 768 N TRP A 57 11.568 5.003 -14.292 1.00 0.00 N ATOM 769 CA TRP A 57 12.138 3.695 -14.567 1.00 0.00 C ATOM 770 C TRP A 57 13.403 3.543 -13.719 1.00 0.00 C ATOM 771 O TRP A 57 13.544 2.572 -12.977 1.00 0.00 O ATOM 772 CB TRP A 57 12.396 3.513 -16.063 1.00 0.00 C ATOM 773 CG TRP A 57 12.672 2.066 -16.476 1.00 0.00 C ATOM 774 CD1 TRP A 57 13.852 1.431 -16.519 1.00 0.00 C ATOM 775 CD2 TRP A 57 11.696 1.092 -16.904 1.00 0.00 C ATOM 776 NE1 TRP A 57 13.708 0.125 -16.942 1.00 0.00 N ATOM 777 CE2 TRP A 57 12.356 -0.087 -17.183 1.00 0.00 C ATOM 778 CE3 TRP A 57 10.302 1.205 -17.050 1.00 0.00 C ATOM 779 CZ2 TRP A 57 11.703 -1.244 -17.626 1.00 0.00 C ATOM 780 CZ3 TRP A 57 9.665 0.040 -17.493 1.00 0.00 C ATOM 781 CH2 TRP A 57 10.314 -1.155 -17.779 1.00 0.00 C ATOM 0 H TRP A 57 11.424 5.587 -15.116 1.00 0.00 H new ATOM 0 HA TRP A 57 11.439 2.904 -14.294 1.00 0.00 H new ATOM 0 HB2 TRP A 57 11.532 3.880 -16.617 1.00 0.00 H new ATOM 0 HB3 TRP A 57 13.246 4.131 -16.352 1.00 0.00 H new ATOM 0 HD1 TRP A 57 14.796 1.884 -16.256 1.00 0.00 H new ATOM 0 HE1 TRP A 57 14.456 -0.559 -17.057 1.00 0.00 H new ATOM 0 HE3 TRP A 57 9.766 2.118 -16.837 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 12.242 -2.156 -17.838 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 8.593 0.072 -17.622 1.00 0.00 H new ATOM 0 HH2 TRP A 57 9.750 -2.011 -18.118 1.00 0.00 H new ATOM 792 N ASP A 58 14.290 4.517 -13.858 1.00 0.00 N ATOM 793 CA ASP A 58 15.538 4.503 -13.114 1.00 0.00 C ATOM 794 C ASP A 58 15.255 4.135 -11.656 1.00 0.00 C ATOM 795 O ASP A 58 16.001 3.369 -11.049 1.00 0.00 O ATOM 796 CB ASP A 58 16.206 5.880 -13.133 1.00 0.00 C ATOM 797 CG ASP A 58 17.728 5.863 -12.981 1.00 0.00 C ATOM 798 OD1 ASP A 58 18.292 4.993 -12.301 1.00 0.00 O ATOM 799 OD2 ASP A 58 18.349 6.806 -13.605 1.00 0.00 O ATOM 0 H ASP A 58 14.169 5.321 -14.474 1.00 0.00 H new ATOM 0 HA ASP A 58 16.200 3.774 -13.581 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.955 6.376 -14.071 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.783 6.484 -12.330 1.00 0.00 H new ATOM 805 N LEU A 59 14.173 4.698 -11.137 1.00 0.00 N ATOM 806 CA LEU A 59 13.782 4.439 -9.762 1.00 0.00 C ATOM 807 C LEU A 59 13.047 3.099 -9.690 1.00 0.00 C ATOM 808 O LEU A 59 13.089 2.419 -8.666 1.00 0.00 O ATOM 809 CB LEU A 59 12.975 5.613 -9.204 1.00 0.00 C ATOM 810 CG LEU A 59 12.373 5.412 -7.812 1.00 0.00 C ATOM 811 CD1 LEU A 59 11.065 4.621 -7.890 1.00 0.00 C ATOM 812 CD2 LEU A 59 13.382 4.758 -6.867 1.00 0.00 C ATOM 0 H LEU A 59 13.556 5.332 -11.644 1.00 0.00 H new ATOM 0 HA LEU A 59 14.662 4.356 -9.125 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.621 6.491 -9.176 1.00 0.00 H new ATOM 0 HB3 LEU A 59 12.166 5.835 -9.900 1.00 0.00 H new ATOM 0 HG LEU A 59 12.134 6.392 -7.399 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.658 4.492 -6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.348 5.164 -8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.257 3.643 -8.332 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.928 4.627 -5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.675 3.786 -7.264 1.00 0.00 H new ATOM 0 HD23 LEU A 59 14.262 5.394 -6.778 1.00 0.00 H new ATOM 824 N ALA A 60 12.392 2.759 -10.790 1.00 0.00 N ATOM 825 CA ALA A 60 11.649 1.513 -10.864 1.00 0.00 C ATOM 826 C ALA A 60 12.628 0.337 -10.814 1.00 0.00 C ATOM 827 O ALA A 60 12.582 -0.474 -9.891 1.00 0.00 O ATOM 828 CB ALA A 60 10.791 1.504 -12.131 1.00 0.00 C ATOM 0 H ALA A 60 12.360 3.325 -11.638 1.00 0.00 H new ATOM 0 HA ALA A 60 10.974 1.417 -10.013 1.00 0.00 H new ATOM 0 HB1 ALA A 60 10.234 0.569 -12.186 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.094 2.341 -12.104 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.434 1.595 -13.006 1.00 0.00 H new ATOM 834 N ASP A 61 13.490 0.284 -11.819 1.00 0.00 N ATOM 835 CA ASP A 61 14.477 -0.779 -11.902 1.00 0.00 C ATOM 836 C ASP A 61 15.002 -1.092 -10.499 1.00 0.00 C ATOM 837 O ASP A 61 15.425 -0.191 -9.775 1.00 0.00 O ATOM 838 CB ASP A 61 15.667 -0.359 -12.768 1.00 0.00 C ATOM 839 CG ASP A 61 16.686 -1.465 -13.046 1.00 0.00 C ATOM 840 OD1 ASP A 61 16.332 -2.559 -13.511 1.00 0.00 O ATOM 841 OD2 ASP A 61 17.908 -1.165 -12.760 1.00 0.00 O ATOM 0 H ASP A 61 13.525 0.960 -12.582 1.00 0.00 H new ATOM 0 HA ASP A 61 13.997 -1.651 -12.346 1.00 0.00 H new ATOM 0 HB2 ASP A 61 15.290 0.015 -13.720 1.00 0.00 H new ATOM 0 HB3 ASP A 61 16.178 0.471 -12.279 1.00 0.00 H new ATOM 847 N THR A 62 14.957 -2.371 -10.157 1.00 0.00 N ATOM 848 CA THR A 62 15.422 -2.814 -8.853 1.00 0.00 C ATOM 849 C THR A 62 15.806 -4.294 -8.899 1.00 0.00 C ATOM 850 O THR A 62 16.844 -4.687 -8.369 1.00 0.00 O ATOM 851 CB THR A 62 14.329 -2.500 -7.830 1.00 0.00 C ATOM 852 OG1 THR A 62 14.398 -1.086 -7.671 1.00 0.00 O ATOM 853 CG2 THR A 62 14.655 -3.048 -6.439 1.00 0.00 C ATOM 0 H THR A 62 14.606 -3.115 -10.760 1.00 0.00 H new ATOM 0 HA THR A 62 16.327 -2.285 -8.554 1.00 0.00 H new ATOM 0 HB THR A 62 13.381 -2.917 -8.172 1.00 0.00 H new ATOM 0 HG1 THR A 62 15.072 -0.721 -8.281 1.00 0.00 H new ATOM 0 HG21 THR A 62 13.847 -2.798 -5.751 1.00 0.00 H new ATOM 0 HG22 THR A 62 14.765 -4.131 -6.491 1.00 0.00 H new ATOM 0 HG23 THR A 62 15.585 -2.606 -6.083 1.00 0.00 H new ATOM 861 N ASP A 63 14.947 -5.076 -9.537 1.00 0.00 N ATOM 862 CA ASP A 63 15.183 -6.504 -9.659 1.00 0.00 C ATOM 863 C ASP A 63 16.634 -6.743 -10.081 1.00 0.00 C ATOM 864 O ASP A 63 17.316 -7.596 -9.516 1.00 0.00 O ATOM 865 CB ASP A 63 14.273 -7.124 -10.721 1.00 0.00 C ATOM 866 CG ASP A 63 14.543 -8.600 -11.023 1.00 0.00 C ATOM 867 OD1 ASP A 63 14.766 -9.408 -10.109 1.00 0.00 O ATOM 868 OD2 ASP A 63 14.519 -8.913 -12.274 1.00 0.00 O ATOM 0 H ASP A 63 14.086 -4.747 -9.975 1.00 0.00 H new ATOM 0 HA ASP A 63 14.975 -6.964 -8.693 1.00 0.00 H new ATOM 0 HB2 ASP A 63 13.238 -7.019 -10.397 1.00 0.00 H new ATOM 0 HB3 ASP A 63 14.378 -6.555 -11.645 1.00 0.00 H new ATOM 874 N GLY A 64 17.062 -5.975 -11.072 1.00 0.00 N ATOM 875 CA GLY A 64 18.420 -6.092 -11.577 1.00 0.00 C ATOM 876 C GLY A 64 18.465 -6.973 -12.827 1.00 0.00 C ATOM 877 O GLY A 64 19.124 -8.012 -12.835 1.00 0.00 O ATOM 0 H GLY A 64 16.493 -5.269 -11.539 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.812 -5.102 -11.811 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.064 -6.515 -10.806 1.00 0.00 H new ATOM 881 N LYS A 65 17.757 -6.526 -13.853 1.00 0.00 N ATOM 882 CA LYS A 65 17.708 -7.260 -15.106 1.00 0.00 C ATOM 883 C LYS A 65 16.874 -6.476 -16.120 1.00 0.00 C ATOM 884 O LYS A 65 17.317 -6.238 -17.243 1.00 0.00 O ATOM 885 CB LYS A 65 17.209 -8.687 -14.871 1.00 0.00 C ATOM 886 CG LYS A 65 17.099 -9.454 -16.191 1.00 0.00 C ATOM 887 CD LYS A 65 15.886 -10.385 -16.184 1.00 0.00 C ATOM 888 CE LYS A 65 16.312 -11.839 -15.973 1.00 0.00 C ATOM 889 NZ LYS A 65 16.295 -12.180 -14.533 1.00 0.00 N ATOM 0 H LYS A 65 17.212 -5.664 -13.842 1.00 0.00 H new ATOM 0 HA LYS A 65 18.708 -7.362 -15.527 1.00 0.00 H new ATOM 0 HB2 LYS A 65 17.891 -9.208 -14.199 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.236 -8.660 -14.380 1.00 0.00 H new ATOM 0 HG2 LYS A 65 17.017 -8.750 -17.019 1.00 0.00 H new ATOM 0 HG3 LYS A 65 18.007 -10.035 -16.355 1.00 0.00 H new ATOM 0 HD2 LYS A 65 15.198 -10.086 -15.393 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.347 -10.293 -17.127 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.641 -12.503 -16.518 1.00 0.00 H new ATOM 0 HE3 LYS A 65 17.312 -11.994 -16.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.587 -13.170 -14.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.953 -11.558 -14.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 15.334 -12.052 -14.157 1.00 0.00 H new ATOM 900 N GLY A 66 15.680 -6.095 -15.688 1.00 0.00 N ATOM 901 CA GLY A 66 14.780 -5.342 -16.545 1.00 0.00 C ATOM 902 C GLY A 66 13.321 -5.700 -16.255 1.00 0.00 C ATOM 903 O GLY A 66 12.504 -4.821 -15.983 1.00 0.00 O ATOM 0 H GLY A 66 15.316 -6.294 -14.756 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.934 -4.274 -16.391 1.00 0.00 H new ATOM 0 HA3 GLY A 66 15.008 -5.550 -17.590 1.00 0.00 H new ATOM 907 N VAL A 67 13.037 -6.993 -16.324 1.00 0.00 N ATOM 908 CA VAL A 67 11.690 -7.478 -16.072 1.00 0.00 C ATOM 909 C VAL A 67 11.081 -6.696 -14.907 1.00 0.00 C ATOM 910 O VAL A 67 11.795 -6.267 -14.001 1.00 0.00 O ATOM 911 CB VAL A 67 11.715 -8.988 -15.831 1.00 0.00 C ATOM 912 CG1 VAL A 67 10.295 -9.553 -15.745 1.00 0.00 C ATOM 913 CG2 VAL A 67 12.525 -9.703 -16.914 1.00 0.00 C ATOM 0 H VAL A 67 13.716 -7.719 -16.551 1.00 0.00 H new ATOM 0 HA VAL A 67 11.055 -7.312 -16.942 1.00 0.00 H new ATOM 0 HB VAL A 67 12.205 -9.166 -14.874 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.341 -10.628 -15.573 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.763 -9.077 -14.922 1.00 0.00 H new ATOM 0 HG13 VAL A 67 9.768 -9.357 -16.679 1.00 0.00 H new ATOM 0 HG21 VAL A 67 12.527 -10.775 -16.719 1.00 0.00 H new ATOM 0 HG22 VAL A 67 12.077 -9.512 -17.889 1.00 0.00 H new ATOM 0 HG23 VAL A 67 13.550 -9.331 -16.907 1.00 0.00 H new ATOM 923 N LEU A 68 9.767 -6.534 -14.967 1.00 0.00 N ATOM 924 CA LEU A 68 9.053 -5.812 -13.928 1.00 0.00 C ATOM 925 C LEU A 68 8.416 -6.813 -12.962 1.00 0.00 C ATOM 926 O LEU A 68 8.421 -8.016 -13.218 1.00 0.00 O ATOM 927 CB LEU A 68 8.054 -4.832 -14.546 1.00 0.00 C ATOM 928 CG LEU A 68 8.657 -3.623 -15.264 1.00 0.00 C ATOM 929 CD1 LEU A 68 7.581 -2.582 -15.583 1.00 0.00 C ATOM 930 CD2 LEU A 68 9.810 -3.025 -14.456 1.00 0.00 C ATOM 0 H LEU A 68 9.178 -6.891 -15.720 1.00 0.00 H new ATOM 0 HA LEU A 68 9.743 -5.202 -13.345 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.432 -5.378 -15.255 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.395 -4.470 -13.757 1.00 0.00 H new ATOM 0 HG LEU A 68 9.070 -3.961 -16.214 1.00 0.00 H new ATOM 0 HD11 LEU A 68 8.036 -1.733 -16.093 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.823 -3.028 -16.226 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.117 -2.243 -14.657 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.221 -2.167 -14.988 1.00 0.00 H new ATOM 0 HD22 LEU A 68 9.443 -2.705 -13.481 1.00 0.00 H new ATOM 0 HD23 LEU A 68 10.589 -3.776 -14.322 1.00 0.00 H new ATOM 942 N SER A 69 7.883 -6.279 -11.874 1.00 0.00 N ATOM 943 CA SER A 69 7.243 -7.110 -10.869 1.00 0.00 C ATOM 944 C SER A 69 5.956 -6.443 -10.380 1.00 0.00 C ATOM 945 O SER A 69 5.566 -5.392 -10.886 1.00 0.00 O ATOM 946 CB SER A 69 8.184 -7.374 -9.692 1.00 0.00 C ATOM 947 OG SER A 69 9.523 -7.605 -10.120 1.00 0.00 O ATOM 0 H SER A 69 7.881 -5.280 -11.666 1.00 0.00 H new ATOM 0 HA SER A 69 6.997 -8.069 -11.325 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.163 -6.522 -9.013 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.829 -8.238 -9.131 1.00 0.00 H new ATOM 0 HG SER A 69 10.092 -7.768 -9.339 1.00 0.00 H new ATOM 953 N LYS A 70 5.331 -7.082 -9.401 1.00 0.00 N ATOM 954 CA LYS A 70 4.096 -6.564 -8.838 1.00 0.00 C ATOM 955 C LYS A 70 4.311 -5.116 -8.394 1.00 0.00 C ATOM 956 O LYS A 70 4.166 -4.190 -9.190 1.00 0.00 O ATOM 957 CB LYS A 70 3.589 -7.480 -7.723 1.00 0.00 C ATOM 958 CG LYS A 70 4.750 -8.012 -6.880 1.00 0.00 C ATOM 959 CD LYS A 70 5.079 -9.459 -7.250 1.00 0.00 C ATOM 960 CE LYS A 70 4.494 -10.434 -6.226 1.00 0.00 C ATOM 961 NZ LYS A 70 3.130 -10.848 -6.625 1.00 0.00 N ATOM 0 H LYS A 70 5.657 -7.954 -8.984 1.00 0.00 H new ATOM 0 HA LYS A 70 3.309 -6.553 -9.592 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.893 -6.933 -7.086 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.037 -8.314 -8.156 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.629 -7.386 -7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.493 -7.953 -5.822 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.682 -9.684 -8.240 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.160 -9.588 -7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 70 5.136 -11.311 -6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.465 -9.964 -5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.748 -11.509 -5.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.516 -10.011 -6.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.167 -11.315 -7.553 1.00 0.00 H new ATOM 972 N GLN A 71 4.654 -4.965 -7.123 1.00 0.00 N ATOM 973 CA GLN A 71 4.891 -3.645 -6.563 1.00 0.00 C ATOM 974 C GLN A 71 5.602 -2.755 -7.584 1.00 0.00 C ATOM 975 O GLN A 71 5.181 -1.625 -7.827 1.00 0.00 O ATOM 976 CB GLN A 71 5.693 -3.737 -5.263 1.00 0.00 C ATOM 977 CG GLN A 71 4.852 -3.287 -4.067 1.00 0.00 C ATOM 978 CD GLN A 71 5.674 -2.414 -3.117 1.00 0.00 C ATOM 979 OE1 GLN A 71 6.868 -2.225 -3.282 1.00 0.00 O ATOM 980 NE2 GLN A 71 4.970 -1.893 -2.116 1.00 0.00 N ATOM 0 H GLN A 71 4.773 -5.735 -6.465 1.00 0.00 H new ATOM 0 HA GLN A 71 3.927 -3.194 -6.326 1.00 0.00 H new ATOM 0 HB2 GLN A 71 6.029 -4.763 -5.111 1.00 0.00 H new ATOM 0 HB3 GLN A 71 6.586 -3.117 -5.338 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.983 -2.731 -4.418 1.00 0.00 H new ATOM 0 HG3 GLN A 71 4.477 -4.160 -3.532 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.973 -2.092 -2.036 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.427 -1.295 -1.428 1.00 0.00 H new ATOM 989 N GLU A 72 6.667 -3.298 -8.155 1.00 0.00 N ATOM 990 CA GLU A 72 7.441 -2.567 -9.144 1.00 0.00 C ATOM 991 C GLU A 72 6.508 -1.851 -10.123 1.00 0.00 C ATOM 992 O GLU A 72 6.323 -0.638 -10.035 1.00 0.00 O ATOM 993 CB GLU A 72 8.403 -3.498 -9.885 1.00 0.00 C ATOM 994 CG GLU A 72 9.784 -3.494 -9.227 1.00 0.00 C ATOM 995 CD GLU A 72 10.893 -3.557 -10.280 1.00 0.00 C ATOM 996 OE1 GLU A 72 10.929 -2.718 -11.193 1.00 0.00 O ATOM 997 OE2 GLU A 72 11.738 -4.519 -10.126 1.00 0.00 O ATOM 0 H GLU A 72 7.012 -4.236 -7.952 1.00 0.00 H new ATOM 0 HA GLU A 72 8.040 -1.817 -8.627 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.002 -4.511 -9.891 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.491 -3.184 -10.925 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.901 -2.594 -8.624 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.871 -4.344 -8.551 1.00 0.00 H new ATOM 1005 N PHE A 73 5.946 -2.632 -11.034 1.00 0.00 N ATOM 1006 CA PHE A 73 5.037 -2.087 -12.028 1.00 0.00 C ATOM 1007 C PHE A 73 3.895 -1.316 -11.364 1.00 0.00 C ATOM 1008 O PHE A 73 3.429 -0.309 -11.895 1.00 0.00 O ATOM 1009 CB PHE A 73 4.455 -3.273 -12.799 1.00 0.00 C ATOM 1010 CG PHE A 73 3.378 -2.886 -13.815 1.00 0.00 C ATOM 1011 CD1 PHE A 73 3.727 -2.270 -14.976 1.00 0.00 C ATOM 1012 CD2 PHE A 73 2.070 -3.160 -13.557 1.00 0.00 C ATOM 1013 CE1 PHE A 73 2.728 -1.911 -15.918 1.00 0.00 C ATOM 1014 CE2 PHE A 73 1.071 -2.801 -14.500 1.00 0.00 C ATOM 1015 CZ PHE A 73 1.420 -2.184 -15.660 1.00 0.00 C ATOM 0 H PHE A 73 6.103 -3.637 -11.105 1.00 0.00 H new ATOM 0 HA PHE A 73 5.571 -1.398 -12.682 1.00 0.00 H new ATOM 0 HB2 PHE A 73 5.263 -3.787 -13.319 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.031 -3.983 -12.088 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.765 -2.054 -15.181 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.792 -3.650 -12.636 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.006 -1.421 -16.840 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.033 -3.018 -14.296 1.00 0.00 H new ATOM 0 HZ PHE A 73 0.660 -1.911 -16.376 1.00 0.00 H new ATOM 1025 N PHE A 74 3.477 -1.817 -10.211 1.00 0.00 N ATOM 1026 CA PHE A 74 2.399 -1.188 -9.468 1.00 0.00 C ATOM 1027 C PHE A 74 2.878 0.096 -8.787 1.00 0.00 C ATOM 1028 O PHE A 74 2.089 0.803 -8.161 1.00 0.00 O ATOM 1029 CB PHE A 74 1.954 -2.184 -8.395 1.00 0.00 C ATOM 1030 CG PHE A 74 0.754 -3.042 -8.802 1.00 0.00 C ATOM 1031 CD1 PHE A 74 0.780 -3.737 -9.971 1.00 0.00 C ATOM 1032 CD2 PHE A 74 -0.339 -3.109 -7.995 1.00 0.00 C ATOM 1033 CE1 PHE A 74 -0.334 -4.532 -10.349 1.00 0.00 C ATOM 1034 CE2 PHE A 74 -1.453 -3.905 -8.373 1.00 0.00 C ATOM 1035 CZ PHE A 74 -1.427 -4.600 -9.541 1.00 0.00 C ATOM 0 H PHE A 74 3.866 -2.652 -9.773 1.00 0.00 H new ATOM 0 HA PHE A 74 1.585 -0.927 -10.144 1.00 0.00 H new ATOM 0 HB2 PHE A 74 2.791 -2.839 -8.153 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.705 -1.636 -7.486 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.648 -3.684 -10.612 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -0.360 -2.557 -7.067 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.314 -5.083 -11.278 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.321 -3.958 -7.732 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.274 -5.206 -9.828 1.00 0.00 H new ATOM 1045 N VAL A 75 4.169 0.358 -8.932 1.00 0.00 N ATOM 1046 CA VAL A 75 4.762 1.545 -8.339 1.00 0.00 C ATOM 1047 C VAL A 75 4.978 2.599 -9.426 1.00 0.00 C ATOM 1048 O VAL A 75 4.484 3.721 -9.315 1.00 0.00 O ATOM 1049 CB VAL A 75 6.051 1.173 -7.603 1.00 0.00 C ATOM 1050 CG1 VAL A 75 7.095 2.284 -7.729 1.00 0.00 C ATOM 1051 CG2 VAL A 75 5.770 0.848 -6.134 1.00 0.00 C ATOM 0 H VAL A 75 4.820 -0.231 -9.451 1.00 0.00 H new ATOM 0 HA VAL A 75 4.091 1.977 -7.596 1.00 0.00 H new ATOM 0 HB VAL A 75 6.458 0.277 -8.072 1.00 0.00 H new ATOM 0 HG11 VAL A 75 8.001 1.994 -7.197 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.328 2.446 -8.781 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.701 3.204 -7.299 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.703 0.587 -5.634 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.328 1.717 -5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.078 0.008 -6.073 1.00 0.00 H new ATOM 1061 N ALA A 76 5.716 2.203 -10.453 1.00 0.00 N ATOM 1062 CA ALA A 76 6.003 3.100 -11.559 1.00 0.00 C ATOM 1063 C ALA A 76 4.688 3.620 -12.143 1.00 0.00 C ATOM 1064 O ALA A 76 4.651 4.695 -12.739 1.00 0.00 O ATOM 1065 CB ALA A 76 6.856 2.372 -12.599 1.00 0.00 C ATOM 0 H ALA A 76 6.124 1.272 -10.542 1.00 0.00 H new ATOM 0 HA ALA A 76 6.574 3.962 -11.215 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.071 3.045 -13.429 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.791 2.050 -12.141 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.314 1.502 -12.969 1.00 0.00 H new ATOM 1071 N LEU A 77 3.640 2.832 -11.951 1.00 0.00 N ATOM 1072 CA LEU A 77 2.326 3.199 -12.452 1.00 0.00 C ATOM 1073 C LEU A 77 1.880 4.504 -11.791 1.00 0.00 C ATOM 1074 O LEU A 77 1.830 5.548 -12.440 1.00 0.00 O ATOM 1075 CB LEU A 77 1.340 2.045 -12.263 1.00 0.00 C ATOM 1076 CG LEU A 77 0.730 1.467 -13.542 1.00 0.00 C ATOM 1077 CD1 LEU A 77 -0.233 0.322 -13.222 1.00 0.00 C ATOM 1078 CD2 LEU A 77 0.062 2.563 -14.374 1.00 0.00 C ATOM 0 H LEU A 77 3.674 1.941 -11.456 1.00 0.00 H new ATOM 0 HA LEU A 77 2.364 3.382 -13.526 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.850 1.241 -11.732 1.00 0.00 H new ATOM 0 HB3 LEU A 77 0.529 2.388 -11.620 1.00 0.00 H new ATOM 0 HG LEU A 77 1.535 1.050 -14.146 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.652 -0.070 -14.148 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.305 -0.471 -12.702 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.038 0.691 -12.587 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.363 2.126 -15.277 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.730 3.031 -13.790 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.803 3.314 -14.649 1.00 0.00 H new ATOM 1090 N ARG A 78 1.566 4.403 -10.508 1.00 0.00 N ATOM 1091 CA ARG A 78 1.125 5.563 -9.752 1.00 0.00 C ATOM 1092 C ARG A 78 2.190 6.661 -9.794 1.00 0.00 C ATOM 1093 O ARG A 78 1.867 7.839 -9.941 1.00 0.00 O ATOM 1094 CB ARG A 78 0.840 5.195 -8.294 1.00 0.00 C ATOM 1095 CG ARG A 78 -0.468 4.412 -8.172 1.00 0.00 C ATOM 1096 CD ARG A 78 -1.660 5.262 -8.618 1.00 0.00 C ATOM 1097 NE ARG A 78 -1.995 4.963 -10.028 1.00 0.00 N ATOM 1098 CZ ARG A 78 -3.226 5.117 -10.562 1.00 0.00 C ATOM 1099 NH1 ARG A 78 -4.249 5.568 -9.806 1.00 0.00 N ATOM 1100 NH2 ARG A 78 -3.413 4.819 -11.834 1.00 0.00 N ATOM 0 H ARG A 78 1.608 3.536 -9.973 1.00 0.00 H new ATOM 0 HA ARG A 78 0.205 5.926 -10.210 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.663 4.600 -7.898 1.00 0.00 H new ATOM 0 HB3 ARG A 78 0.783 6.101 -7.691 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -0.413 3.509 -8.780 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -0.610 4.093 -7.139 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -2.520 5.060 -7.980 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.424 6.320 -8.508 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.250 4.619 -10.634 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.096 5.795 -8.824 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.176 5.681 -10.217 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.634 4.478 -12.398 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -4.336 4.929 -12.253 1.00 0.00 H new ATOM 1113 N LEU A 79 3.438 6.235 -9.665 1.00 0.00 N ATOM 1114 CA LEU A 79 4.553 7.167 -9.687 1.00 0.00 C ATOM 1115 C LEU A 79 4.363 8.155 -10.839 1.00 0.00 C ATOM 1116 O LEU A 79 4.590 9.354 -10.678 1.00 0.00 O ATOM 1117 CB LEU A 79 5.882 6.412 -9.737 1.00 0.00 C ATOM 1118 CG LEU A 79 7.101 7.162 -9.196 1.00 0.00 C ATOM 1119 CD1 LEU A 79 8.386 6.369 -9.441 1.00 0.00 C ATOM 1120 CD2 LEU A 79 7.179 8.574 -9.781 1.00 0.00 C ATOM 0 H LEU A 79 3.702 5.257 -9.545 1.00 0.00 H new ATOM 0 HA LEU A 79 4.580 7.751 -8.767 1.00 0.00 H new ATOM 0 HB2 LEU A 79 5.772 5.485 -9.174 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.081 6.135 -10.772 1.00 0.00 H new ATOM 0 HG LEU A 79 6.987 7.265 -8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.237 6.924 -9.047 1.00 0.00 H new ATOM 0 HD12 LEU A 79 8.319 5.404 -8.939 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.519 6.213 -10.512 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.054 9.086 -9.381 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.259 8.514 -10.866 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.280 9.129 -9.513 1.00 0.00 H new ATOM 1132 N VAL A 80 3.948 7.616 -11.976 1.00 0.00 N ATOM 1133 CA VAL A 80 3.725 8.436 -13.156 1.00 0.00 C ATOM 1134 C VAL A 80 2.759 9.569 -12.808 1.00 0.00 C ATOM 1135 O VAL A 80 3.020 10.730 -13.119 1.00 0.00 O ATOM 1136 CB VAL A 80 3.234 7.564 -14.313 1.00 0.00 C ATOM 1137 CG1 VAL A 80 2.840 8.422 -15.517 1.00 0.00 C ATOM 1138 CG2 VAL A 80 4.286 6.524 -14.701 1.00 0.00 C ATOM 0 H VAL A 80 3.760 6.622 -12.106 1.00 0.00 H new ATOM 0 HA VAL A 80 4.657 8.894 -13.486 1.00 0.00 H new ATOM 0 HB VAL A 80 2.345 7.031 -13.977 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.495 7.778 -16.325 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.040 9.105 -15.231 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.704 8.995 -15.854 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.911 5.918 -15.526 1.00 0.00 H new ATOM 0 HG22 VAL A 80 5.201 7.030 -15.009 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.496 5.882 -13.845 1.00 0.00 H new ATOM 1148 N ALA A 81 1.662 9.193 -12.168 1.00 0.00 N ATOM 1149 CA ALA A 81 0.654 10.164 -11.775 1.00 0.00 C ATOM 1150 C ALA A 81 1.296 11.221 -10.873 1.00 0.00 C ATOM 1151 O ALA A 81 0.740 12.303 -10.686 1.00 0.00 O ATOM 1152 CB ALA A 81 -0.510 9.444 -11.092 1.00 0.00 C ATOM 0 H ALA A 81 1.448 8.229 -11.911 1.00 0.00 H new ATOM 0 HA ALA A 81 0.252 10.676 -12.649 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.266 10.172 -10.797 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.949 8.725 -11.784 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.146 8.921 -10.208 1.00 0.00 H new ATOM 1158 N CYS A 82 2.456 10.872 -10.338 1.00 0.00 N ATOM 1159 CA CYS A 82 3.179 11.777 -9.461 1.00 0.00 C ATOM 1160 C CYS A 82 3.700 12.945 -10.300 1.00 0.00 C ATOM 1161 O CYS A 82 3.281 14.086 -10.110 1.00 0.00 O ATOM 1162 CB CYS A 82 4.308 11.061 -8.716 1.00 0.00 C ATOM 1163 SG CYS A 82 4.683 11.941 -7.156 1.00 0.00 S ATOM 0 H CYS A 82 2.914 9.974 -10.495 1.00 0.00 H new ATOM 0 HA CYS A 82 2.507 12.156 -8.691 1.00 0.00 H new ATOM 0 HB2 CYS A 82 4.019 10.032 -8.502 1.00 0.00 H new ATOM 0 HB3 CYS A 82 5.199 11.018 -9.343 1.00 0.00 H new ATOM 0 HG CYS A 82 5.851 12.506 -7.246 1.00 0.00 H new ATOM 1169 N ALA A 83 4.606 12.621 -11.210 1.00 0.00 N ATOM 1170 CA ALA A 83 5.189 13.629 -12.079 1.00 0.00 C ATOM 1171 C ALA A 83 4.075 14.323 -12.866 1.00 0.00 C ATOM 1172 O ALA A 83 4.267 15.424 -13.381 1.00 0.00 O ATOM 1173 CB ALA A 83 6.230 12.978 -12.992 1.00 0.00 C ATOM 0 H ALA A 83 4.951 11.674 -11.365 1.00 0.00 H new ATOM 0 HA ALA A 83 5.702 14.391 -11.492 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.667 13.735 -13.643 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.014 12.525 -12.385 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.752 12.209 -13.599 1.00 0.00 H new ATOM 1179 N GLN A 84 2.936 13.650 -12.936 1.00 0.00 N ATOM 1180 CA GLN A 84 1.792 14.188 -13.652 1.00 0.00 C ATOM 1181 C GLN A 84 1.194 15.370 -12.887 1.00 0.00 C ATOM 1182 O GLN A 84 0.301 16.051 -13.388 1.00 0.00 O ATOM 1183 CB GLN A 84 0.740 13.104 -13.897 1.00 0.00 C ATOM 1184 CG GLN A 84 1.250 12.058 -14.889 1.00 0.00 C ATOM 1185 CD GLN A 84 0.409 12.058 -16.167 1.00 0.00 C ATOM 1186 OE1 GLN A 84 0.918 12.094 -17.276 1.00 0.00 O ATOM 1187 NE2 GLN A 84 -0.902 12.016 -15.952 1.00 0.00 N ATOM 0 H GLN A 84 2.781 12.737 -12.509 1.00 0.00 H new ATOM 0 HA GLN A 84 2.132 14.545 -14.624 1.00 0.00 H new ATOM 0 HB2 GLN A 84 0.484 12.621 -12.954 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.173 13.559 -14.280 1.00 0.00 H new ATOM 0 HG2 GLN A 84 2.292 12.263 -15.135 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.219 11.070 -14.429 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.262 11.987 -14.998 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.548 12.012 -16.741 1.00 0.00 H new ATOM 1196 N ASN A 85 1.712 15.578 -11.685 1.00 0.00 N ATOM 1197 CA ASN A 85 1.240 16.666 -10.845 1.00 0.00 C ATOM 1198 C ASN A 85 2.370 17.678 -10.648 1.00 0.00 C ATOM 1199 O ASN A 85 2.157 18.750 -10.084 1.00 0.00 O ATOM 1200 CB ASN A 85 0.818 16.154 -9.466 1.00 0.00 C ATOM 1201 CG ASN A 85 0.079 17.240 -8.681 1.00 0.00 C ATOM 1202 OD1 ASN A 85 -0.356 18.245 -9.220 1.00 0.00 O ATOM 1203 ND2 ASN A 85 -0.038 16.983 -7.382 1.00 0.00 N ATOM 0 H ASN A 85 2.454 15.012 -11.273 1.00 0.00 H new ATOM 0 HA ASN A 85 0.382 17.125 -11.337 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.175 15.281 -9.579 1.00 0.00 H new ATOM 0 HB3 ASN A 85 1.698 15.832 -8.909 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -0.515 17.647 -6.772 1.00 0.00 H new ATOM 0 HD22 ASN A 85 0.349 16.122 -6.996 1.00 0.00 H new ATOM 1210 N GLY A 86 3.549 17.302 -11.123 1.00 0.00 N ATOM 1211 CA GLY A 86 4.713 18.164 -11.006 1.00 0.00 C ATOM 1212 C GLY A 86 5.541 17.802 -9.772 1.00 0.00 C ATOM 1213 O GLY A 86 6.494 18.502 -9.432 1.00 0.00 O ATOM 0 H GLY A 86 3.723 16.412 -11.590 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.329 18.073 -11.901 1.00 0.00 H new ATOM 0 HA3 GLY A 86 4.395 19.205 -10.942 1.00 0.00 H new ATOM 1217 N LEU A 87 5.148 16.708 -9.134 1.00 0.00 N ATOM 1218 CA LEU A 87 5.843 16.245 -7.945 1.00 0.00 C ATOM 1219 C LEU A 87 7.136 15.540 -8.358 1.00 0.00 C ATOM 1220 O LEU A 87 7.418 15.397 -9.546 1.00 0.00 O ATOM 1221 CB LEU A 87 4.917 15.380 -7.087 1.00 0.00 C ATOM 1222 CG LEU A 87 3.628 16.049 -6.607 1.00 0.00 C ATOM 1223 CD1 LEU A 87 2.682 15.027 -5.973 1.00 0.00 C ATOM 1224 CD2 LEU A 87 3.933 17.211 -5.660 1.00 0.00 C ATOM 0 H LEU A 87 4.357 16.130 -9.418 1.00 0.00 H new ATOM 0 HA LEU A 87 6.127 17.089 -7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.650 14.491 -7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.474 15.042 -6.213 1.00 0.00 H new ATOM 0 HG LEU A 87 3.117 16.466 -7.475 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.774 15.529 -5.640 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.426 14.263 -6.708 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.171 14.559 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.999 17.669 -5.334 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.478 16.840 -4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.540 17.953 -6.179 1.00 0.00 H new ATOM 1236 N GLU A 88 7.888 15.116 -7.352 1.00 0.00 N ATOM 1237 CA GLU A 88 9.145 14.429 -7.596 1.00 0.00 C ATOM 1238 C GLU A 88 8.915 13.194 -8.469 1.00 0.00 C ATOM 1239 O GLU A 88 7.773 12.841 -8.762 1.00 0.00 O ATOM 1240 CB GLU A 88 9.826 14.050 -6.279 1.00 0.00 C ATOM 1241 CG GLU A 88 11.339 14.266 -6.362 1.00 0.00 C ATOM 1242 CD GLU A 88 11.803 15.297 -5.331 1.00 0.00 C ATOM 1243 OE1 GLU A 88 11.061 16.241 -5.021 1.00 0.00 O ATOM 1244 OE2 GLU A 88 12.980 15.091 -4.847 1.00 0.00 O ATOM 0 H GLU A 88 7.651 15.235 -6.367 1.00 0.00 H new ATOM 0 HA GLU A 88 9.810 15.108 -8.130 1.00 0.00 H new ATOM 0 HB2 GLU A 88 9.414 14.649 -5.467 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.616 13.006 -6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 88 11.855 13.321 -6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 88 11.608 14.602 -7.364 1.00 0.00 H new ATOM 1252 N VAL A 89 10.017 12.572 -8.862 1.00 0.00 N ATOM 1253 CA VAL A 89 9.949 11.385 -9.696 1.00 0.00 C ATOM 1254 C VAL A 89 10.471 10.182 -8.907 1.00 0.00 C ATOM 1255 O VAL A 89 10.336 9.041 -9.346 1.00 0.00 O ATOM 1256 CB VAL A 89 10.710 11.619 -11.002 1.00 0.00 C ATOM 1257 CG1 VAL A 89 10.364 10.547 -12.038 1.00 0.00 C ATOM 1258 CG2 VAL A 89 10.438 13.021 -11.552 1.00 0.00 C ATOM 0 H VAL A 89 10.962 12.868 -8.618 1.00 0.00 H new ATOM 0 HA VAL A 89 8.916 11.170 -9.971 1.00 0.00 H new ATOM 0 HB VAL A 89 11.776 11.545 -10.786 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.918 10.737 -12.957 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.632 9.565 -11.649 1.00 0.00 H new ATOM 0 HG13 VAL A 89 9.295 10.575 -12.247 1.00 0.00 H new ATOM 0 HG21 VAL A 89 10.991 13.161 -12.481 1.00 0.00 H new ATOM 0 HG22 VAL A 89 9.371 13.136 -11.744 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.758 13.766 -10.823 1.00 0.00 H new ATOM 1268 N SER A 90 11.058 10.479 -7.757 1.00 0.00 N ATOM 1269 CA SER A 90 11.601 9.437 -6.903 1.00 0.00 C ATOM 1270 C SER A 90 10.567 9.029 -5.852 1.00 0.00 C ATOM 1271 O SER A 90 9.742 9.843 -5.439 1.00 0.00 O ATOM 1272 CB SER A 90 12.893 9.897 -6.225 1.00 0.00 C ATOM 1273 OG SER A 90 14.015 9.809 -7.099 1.00 0.00 O ATOM 0 H SER A 90 11.169 11.427 -7.397 1.00 0.00 H new ATOM 0 HA SER A 90 11.837 8.574 -7.526 1.00 0.00 H new ATOM 0 HB2 SER A 90 12.778 10.926 -5.886 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.075 9.288 -5.340 1.00 0.00 H new ATOM 0 HG SER A 90 14.820 10.113 -6.630 1.00 0.00 H new ATOM 1279 N LEU A 91 10.644 7.769 -5.449 1.00 0.00 N ATOM 1280 CA LEU A 91 9.725 7.244 -4.454 1.00 0.00 C ATOM 1281 C LEU A 91 9.872 8.043 -3.157 1.00 0.00 C ATOM 1282 O LEU A 91 8.940 8.113 -2.358 1.00 0.00 O ATOM 1283 CB LEU A 91 9.932 5.738 -4.275 1.00 0.00 C ATOM 1284 CG LEU A 91 9.029 4.833 -5.116 1.00 0.00 C ATOM 1285 CD1 LEU A 91 9.542 3.392 -5.111 1.00 0.00 C ATOM 1286 CD2 LEU A 91 7.574 4.925 -4.651 1.00 0.00 C ATOM 0 H LEU A 91 11.329 7.096 -5.794 1.00 0.00 H new ATOM 0 HA LEU A 91 8.694 7.364 -4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.970 5.503 -4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 91 9.781 5.493 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 91 9.060 5.183 -6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 91 8.883 2.769 -5.716 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.550 3.363 -5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 91 9.559 3.016 -4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 91 6.954 4.272 -5.265 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.505 4.615 -3.608 1.00 0.00 H new ATOM 0 HD23 LEU A 91 7.225 5.953 -4.748 1.00 0.00 H new ATOM 1298 N SER A 92 11.050 8.626 -2.989 1.00 0.00 N ATOM 1299 CA SER A 92 11.331 9.417 -1.804 1.00 0.00 C ATOM 1300 C SER A 92 10.279 10.516 -1.646 1.00 0.00 C ATOM 1301 O SER A 92 10.113 11.071 -0.561 1.00 0.00 O ATOM 1302 CB SER A 92 12.732 10.029 -1.870 1.00 0.00 C ATOM 1303 OG SER A 92 13.211 10.407 -0.582 1.00 0.00 O ATOM 0 H SER A 92 11.821 8.566 -3.654 1.00 0.00 H new ATOM 0 HA SER A 92 11.292 8.758 -0.936 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.420 9.311 -2.316 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.716 10.903 -2.521 1.00 0.00 H new ATOM 0 HG SER A 92 14.108 10.792 -0.667 1.00 0.00 H new ATOM 1309 N SER A 93 9.594 10.797 -2.745 1.00 0.00 N ATOM 1310 CA SER A 93 8.562 11.820 -2.743 1.00 0.00 C ATOM 1311 C SER A 93 7.214 11.204 -3.120 1.00 0.00 C ATOM 1312 O SER A 93 6.351 11.881 -3.676 1.00 0.00 O ATOM 1313 CB SER A 93 8.912 12.958 -3.704 1.00 0.00 C ATOM 1314 OG SER A 93 8.807 14.235 -3.080 1.00 0.00 O ATOM 0 H SER A 93 9.734 10.334 -3.643 1.00 0.00 H new ATOM 0 HA SER A 93 8.496 12.237 -1.738 1.00 0.00 H new ATOM 0 HB2 SER A 93 9.927 12.819 -4.076 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.248 12.921 -4.567 1.00 0.00 H new ATOM 0 HG SER A 93 8.270 14.831 -3.643 1.00 0.00 H new ATOM 1320 N LEU A 94 7.074 9.925 -2.802 1.00 0.00 N ATOM 1321 CA LEU A 94 5.845 9.209 -3.101 1.00 0.00 C ATOM 1322 C LEU A 94 5.091 8.935 -1.799 1.00 0.00 C ATOM 1323 O LEU A 94 5.536 9.334 -0.723 1.00 0.00 O ATOM 1324 CB LEU A 94 6.143 7.949 -3.916 1.00 0.00 C ATOM 1325 CG LEU A 94 6.116 8.112 -5.437 1.00 0.00 C ATOM 1326 CD1 LEU A 94 4.699 8.411 -5.931 1.00 0.00 C ATOM 1327 CD2 LEU A 94 7.118 9.174 -5.893 1.00 0.00 C ATOM 0 H LEU A 94 7.791 9.366 -2.340 1.00 0.00 H new ATOM 0 HA LEU A 94 5.192 9.818 -3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.127 7.578 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.419 7.182 -3.640 1.00 0.00 H new ATOM 0 HG LEU A 94 6.422 7.167 -5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.708 8.522 -7.015 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.037 7.590 -5.656 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.342 9.334 -5.474 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.078 9.270 -6.978 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.868 10.131 -5.435 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.123 8.879 -5.591 1.00 0.00 H new ATOM 1339 N SER A 95 3.962 8.256 -1.938 1.00 0.00 N ATOM 1340 CA SER A 95 3.141 7.924 -0.786 1.00 0.00 C ATOM 1341 C SER A 95 2.371 9.160 -0.318 1.00 0.00 C ATOM 1342 O SER A 95 2.124 9.327 0.875 1.00 0.00 O ATOM 1343 CB SER A 95 3.994 7.367 0.356 1.00 0.00 C ATOM 1344 OG SER A 95 4.453 8.394 1.230 1.00 0.00 O ATOM 0 H SER A 95 3.596 7.927 -2.831 1.00 0.00 H new ATOM 0 HA SER A 95 2.431 7.152 -1.084 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.411 6.642 0.924 1.00 0.00 H new ATOM 0 HB3 SER A 95 4.850 6.834 -0.058 1.00 0.00 H new ATOM 0 HG SER A 95 4.884 9.101 0.706 1.00 0.00 H new ATOM 1350 N LEU A 96 2.012 9.994 -1.283 1.00 0.00 N ATOM 1351 CA LEU A 96 1.275 11.210 -0.985 1.00 0.00 C ATOM 1352 C LEU A 96 -0.093 11.153 -1.668 1.00 0.00 C ATOM 1353 O LEU A 96 -0.546 10.082 -2.069 1.00 0.00 O ATOM 1354 CB LEU A 96 2.099 12.443 -1.361 1.00 0.00 C ATOM 1355 CG LEU A 96 3.617 12.250 -1.394 1.00 0.00 C ATOM 1356 CD1 LEU A 96 4.284 13.304 -2.281 1.00 0.00 C ATOM 1357 CD2 LEU A 96 4.199 12.239 0.020 1.00 0.00 C ATOM 0 H LEU A 96 2.218 9.851 -2.272 1.00 0.00 H new ATOM 0 HA LEU A 96 1.094 11.292 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.775 12.787 -2.343 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.869 13.239 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 96 3.828 11.276 -1.836 1.00 0.00 H new ATOM 0 HD11 LEU A 96 5.362 13.145 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.899 13.221 -3.297 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.067 14.298 -1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 96 5.279 12.100 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.978 13.186 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.755 11.422 0.590 1.00 0.00 H new ATOM 1369 N ALA A 97 -0.712 12.319 -1.781 1.00 0.00 N ATOM 1370 CA ALA A 97 -2.018 12.415 -2.409 1.00 0.00 C ATOM 1371 C ALA A 97 -1.853 12.917 -3.845 1.00 0.00 C ATOM 1372 O ALA A 97 -2.201 14.056 -4.152 1.00 0.00 O ATOM 1373 CB ALA A 97 -2.921 13.324 -1.574 1.00 0.00 C ATOM 0 H ALA A 97 -0.333 13.205 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 97 -2.494 11.436 -2.455 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.901 13.396 -2.046 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.030 12.908 -0.572 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.477 14.317 -1.508 1.00 0.00 H new ATOM 1379 N VAL A 98 -1.322 12.042 -4.687 1.00 0.00 N ATOM 1380 CA VAL A 98 -1.107 12.382 -6.083 1.00 0.00 C ATOM 1381 C VAL A 98 -2.429 12.259 -6.843 1.00 0.00 C ATOM 1382 O VAL A 98 -3.305 11.491 -6.451 1.00 0.00 O ATOM 1383 CB VAL A 98 0.004 11.508 -6.669 1.00 0.00 C ATOM 1384 CG1 VAL A 98 1.348 11.809 -6.002 1.00 0.00 C ATOM 1385 CG2 VAL A 98 -0.347 10.024 -6.551 1.00 0.00 C ATOM 0 H VAL A 98 -1.034 11.098 -4.429 1.00 0.00 H new ATOM 0 HA VAL A 98 -0.773 13.415 -6.178 1.00 0.00 H new ATOM 0 HB VAL A 98 0.095 11.747 -7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 98 2.120 11.174 -6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 98 1.607 12.856 -6.161 1.00 0.00 H new ATOM 0 HG13 VAL A 98 1.276 11.611 -4.932 1.00 0.00 H new ATOM 0 HG21 VAL A 98 0.459 9.425 -6.975 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -0.479 9.764 -5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -1.271 9.824 -7.093 1.00 0.00 H new ATOM 1395 N PRO A 99 -2.533 13.048 -7.946 1.00 0.00 N ATOM 1396 CA PRO A 99 -3.733 13.035 -8.765 1.00 0.00 C ATOM 1397 C PRO A 99 -3.798 11.769 -9.622 1.00 0.00 C ATOM 1398 O PRO A 99 -2.855 10.979 -9.642 1.00 0.00 O ATOM 1399 CB PRO A 99 -3.660 14.308 -9.591 1.00 0.00 C ATOM 1400 CG PRO A 99 -2.207 14.751 -9.546 1.00 0.00 C ATOM 1401 CD PRO A 99 -1.515 13.970 -8.441 1.00 0.00 C ATOM 0 HA PRO A 99 -4.647 13.014 -8.171 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -3.982 14.127 -10.617 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -4.316 15.077 -9.182 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -1.722 14.567 -10.505 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -2.140 15.822 -9.356 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -0.645 13.433 -8.820 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -1.161 14.631 -7.650 1.00 0.00 H new ATOM 1409 N PRO A 100 -4.950 11.611 -10.327 1.00 0.00 N ATOM 1410 CA PRO A 100 -5.151 10.454 -11.183 1.00 0.00 C ATOM 1411 C PRO A 100 -4.338 10.580 -12.474 1.00 0.00 C ATOM 1412 O PRO A 100 -4.209 11.671 -13.027 1.00 0.00 O ATOM 1413 CB PRO A 100 -6.650 10.401 -11.429 1.00 0.00 C ATOM 1414 CG PRO A 100 -7.177 11.786 -11.089 1.00 0.00 C ATOM 1415 CD PRO A 100 -6.089 12.525 -10.327 1.00 0.00 C ATOM 0 HA PRO A 100 -4.803 9.528 -10.726 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -6.867 10.144 -12.466 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -7.121 9.640 -10.807 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -7.442 12.327 -11.997 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -8.082 11.713 -10.486 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -5.839 13.469 -10.810 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -6.407 12.761 -9.312 1.00 0.00 H new ATOM 1423 N PRO A 101 -3.796 9.418 -12.927 1.00 0.00 N ATOM 1424 CA PRO A 101 -2.999 9.388 -14.142 1.00 0.00 C ATOM 1425 C PRO A 101 -3.887 9.499 -15.383 1.00 0.00 C ATOM 1426 O PRO A 101 -5.053 9.879 -15.285 1.00 0.00 O ATOM 1427 CB PRO A 101 -2.231 8.078 -14.076 1.00 0.00 C ATOM 1428 CG PRO A 101 -2.969 7.212 -13.067 1.00 0.00 C ATOM 1429 CD PRO A 101 -3.927 8.107 -12.298 1.00 0.00 C ATOM 0 HA PRO A 101 -2.314 10.233 -14.217 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -2.196 7.596 -15.053 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -1.199 8.245 -13.766 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -3.514 6.416 -13.574 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -2.264 6.733 -12.387 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -4.951 7.738 -12.361 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -3.668 8.148 -11.240 1.00 0.00 H new ATOM 1437 N ARG A 102 -3.302 9.159 -16.522 1.00 0.00 N ATOM 1438 CA ARG A 102 -4.025 9.216 -17.781 1.00 0.00 C ATOM 1439 C ARG A 102 -4.505 7.819 -18.181 1.00 0.00 C ATOM 1440 O ARG A 102 -5.541 7.677 -18.828 1.00 0.00 O ATOM 1441 CB ARG A 102 -3.146 9.785 -18.897 1.00 0.00 C ATOM 1442 CG ARG A 102 -3.943 10.733 -19.794 1.00 0.00 C ATOM 1443 CD ARG A 102 -3.125 11.979 -20.139 1.00 0.00 C ATOM 1444 NE ARG A 102 -4.011 13.030 -20.689 1.00 0.00 N ATOM 1445 CZ ARG A 102 -4.699 13.911 -19.933 1.00 0.00 C ATOM 1446 NH1 ARG A 102 -4.610 13.875 -18.586 1.00 0.00 N ATOM 1447 NH2 ARG A 102 -5.461 14.808 -20.530 1.00 0.00 N ATOM 0 H ARG A 102 -2.335 8.843 -16.599 1.00 0.00 H new ATOM 0 HA ARG A 102 -4.883 9.873 -17.640 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -2.299 10.316 -18.462 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -2.738 8.970 -19.495 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -4.230 10.217 -20.710 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -4.865 11.026 -19.291 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -2.618 12.349 -19.248 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -2.352 11.727 -20.865 1.00 0.00 H new ATOM 0 HE ARG A 102 -4.107 13.092 -21.703 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -4.019 13.178 -18.132 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -5.133 14.545 -18.022 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -5.523 14.828 -21.548 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -5.988 15.481 -19.974 1.00 0.00 H new ATOM 1460 N PHE A 103 -3.728 6.824 -17.779 1.00 0.00 N ATOM 1461 CA PHE A 103 -4.061 5.444 -18.087 1.00 0.00 C ATOM 1462 C PHE A 103 -5.569 5.207 -17.983 1.00 0.00 C ATOM 1463 O PHE A 103 -6.282 5.988 -17.355 1.00 0.00 O ATOM 1464 CB PHE A 103 -3.347 4.570 -17.054 1.00 0.00 C ATOM 1465 CG PHE A 103 -1.879 4.942 -16.833 1.00 0.00 C ATOM 1466 CD1 PHE A 103 -0.975 4.769 -17.834 1.00 0.00 C ATOM 1467 CD2 PHE A 103 -1.479 5.446 -15.634 1.00 0.00 C ATOM 1468 CE1 PHE A 103 0.387 5.114 -17.628 1.00 0.00 C ATOM 1469 CE2 PHE A 103 -0.117 5.791 -15.429 1.00 0.00 C ATOM 1470 CZ PHE A 103 0.787 5.618 -16.430 1.00 0.00 C ATOM 0 H PHE A 103 -2.869 6.946 -17.243 1.00 0.00 H new ATOM 0 HA PHE A 103 -3.752 5.205 -19.105 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -3.877 4.642 -16.104 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -3.404 3.529 -17.372 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -1.293 4.369 -18.786 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -2.197 5.583 -14.839 1.00 0.00 H new ATOM 0 HE1 PHE A 103 1.105 4.976 -18.423 1.00 0.00 H new ATOM 0 HE2 PHE A 103 0.201 6.191 -14.478 1.00 0.00 H new ATOM 0 HZ PHE A 103 1.823 5.881 -16.274 1.00 0.00 H new ATOM 1480 N HIS A 104 -6.010 4.125 -18.608 1.00 0.00 N ATOM 1481 CA HIS A 104 -7.421 3.776 -18.594 1.00 0.00 C ATOM 1482 C HIS A 104 -7.832 3.361 -17.180 1.00 0.00 C ATOM 1483 O HIS A 104 -6.995 3.294 -16.280 1.00 0.00 O ATOM 1484 CB HIS A 104 -7.725 2.700 -19.639 1.00 0.00 C ATOM 1485 CG HIS A 104 -9.143 2.730 -20.156 1.00 0.00 C ATOM 1486 ND1 HIS A 104 -10.102 1.810 -19.767 1.00 0.00 N ATOM 1487 CD2 HIS A 104 -9.755 3.577 -21.032 1.00 0.00 C ATOM 1488 CE1 HIS A 104 -11.235 2.100 -20.389 1.00 0.00 C ATOM 1489 NE2 HIS A 104 -11.018 3.195 -21.173 1.00 0.00 N ATOM 0 H HIS A 104 -5.416 3.479 -19.127 1.00 0.00 H new ATOM 0 HA HIS A 104 -8.017 4.646 -18.869 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -7.040 2.820 -20.479 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -7.528 1.720 -19.204 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -9.290 4.417 -21.527 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -12.167 1.563 -20.292 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -11.712 3.646 -21.769 1.00 0.00 H new ATOM 1497 N ASP A 105 -9.121 3.093 -17.027 1.00 0.00 N ATOM 1498 CA ASP A 105 -9.653 2.686 -15.738 1.00 0.00 C ATOM 1499 C ASP A 105 -11.110 2.250 -15.907 1.00 0.00 C ATOM 1500 O ASP A 105 -11.627 1.474 -15.105 1.00 0.00 O ATOM 1501 CB ASP A 105 -9.619 3.844 -14.738 1.00 0.00 C ATOM 1502 CG ASP A 105 -8.869 3.553 -13.437 1.00 0.00 C ATOM 1503 OD1 ASP A 105 -7.632 3.466 -13.419 1.00 0.00 O ATOM 1504 OD2 ASP A 105 -9.617 3.412 -12.396 1.00 0.00 O ATOM 0 H ASP A 105 -9.812 3.150 -17.775 1.00 0.00 H new ATOM 0 HA ASP A 105 -9.039 1.867 -15.363 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -9.159 4.707 -15.220 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -10.644 4.124 -14.494 1.00 0.00 H new