USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 783 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 20 GLN :FLIP amide:sc= -5.43! C(o=-25!,f=-18!) USER MOD Set 1.2: A 24 HIS : no HD1:sc= -12! C(o=-18!,f=-27!) USER MOD Set 1.3: A 62 CYS SG : rot 87:sc= -0.915 USER MOD Single : A 4 THR OG1 : rot 170:sc= -2.48 USER MOD Single : A 8 LYS NZ :NH3+ -110:sc= -0.446 (180deg=-2.64!) USER MOD Single : A 13 LYS NZ :NH3+ 132:sc= -0.213 (180deg=-1.31!) USER MOD Single : A 15 HIS :FLIP no HD1:sc= -5.88! C(o=-10!,f=-5.9!) USER MOD Single : A 19 LYS NZ :NH3+ -163:sc= -0.3 (180deg=-1.27) USER MOD Single : A 22 LYS NZ :NH3+ 160:sc= -0.162 (180deg=-0.896) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -7.74! C(o=-7.7!,f=-13!) USER MOD Single : A 32 GLN : amide:sc= -0.305 X(o=-0.31,f=-0.28) USER MOD Single : A 36 GLN : amide:sc= -5.4! C(o=-5.4!,f=-10!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -44:sc= 1.07 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0.332 K(o=0.33,f=-5.2!) USER MOD Single : A 64 LYS NZ :NH3+ -148:sc= -0.29 (180deg=-1.16) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0783 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN :FLIP amide:sc= -4.34! C(o=-8.5!,f=-4.3!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N THR A 4 -16.978 -13.957 -0.244 1.00 0.00 N ATOM 40 CA THR A 4 -16.354 -14.797 -1.310 1.00 0.00 C ATOM 41 C THR A 4 -15.842 -13.892 -2.435 1.00 0.00 C ATOM 42 O THR A 4 -15.870 -12.682 -2.331 1.00 0.00 O ATOM 43 CB THR A 4 -17.392 -15.781 -1.869 1.00 0.00 C ATOM 44 OG1 THR A 4 -17.820 -15.346 -3.151 1.00 0.00 O ATOM 45 CG2 THR A 4 -18.597 -15.856 -0.928 1.00 0.00 C ATOM 0 HA THR A 4 -15.521 -15.359 -0.888 1.00 0.00 H new ATOM 0 HB THR A 4 -16.938 -16.769 -1.952 1.00 0.00 H new ATOM 0 HG1 THR A 4 -18.355 -16.050 -3.574 1.00 0.00 H new ATOM 0 HG21 THR A 4 -19.330 -16.556 -1.330 1.00 0.00 H new ATOM 0 HG22 THR A 4 -18.271 -16.197 0.054 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.050 -14.869 -0.837 1.00 0.00 H new ATOM 53 N GLU A 5 -15.371 -14.471 -3.505 1.00 0.00 N ATOM 54 CA GLU A 5 -14.850 -13.651 -4.636 1.00 0.00 C ATOM 55 C GLU A 5 -15.847 -12.543 -4.989 1.00 0.00 C ATOM 56 O GLU A 5 -15.497 -11.383 -5.062 1.00 0.00 O ATOM 57 CB GLU A 5 -14.638 -14.548 -5.858 1.00 0.00 C ATOM 58 CG GLU A 5 -13.433 -15.462 -5.623 1.00 0.00 C ATOM 59 CD GLU A 5 -13.780 -16.502 -4.557 1.00 0.00 C ATOM 60 OE1 GLU A 5 -14.952 -16.810 -4.417 1.00 0.00 O ATOM 61 OE2 GLU A 5 -12.868 -16.973 -3.897 1.00 0.00 O ATOM 0 H GLU A 5 -15.324 -15.480 -3.646 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.904 -13.198 -4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.530 -15.146 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.476 -13.937 -6.746 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.153 -15.958 -6.552 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.573 -14.873 -5.305 1.00 0.00 H new ATOM 68 N ILE A 6 -17.085 -12.891 -5.220 1.00 0.00 N ATOM 69 CA ILE A 6 -18.097 -11.860 -5.581 1.00 0.00 C ATOM 70 C ILE A 6 -17.965 -10.651 -4.649 1.00 0.00 C ATOM 71 O ILE A 6 -17.810 -9.531 -5.094 1.00 0.00 O ATOM 72 CB ILE A 6 -19.504 -12.462 -5.461 1.00 0.00 C ATOM 73 CG1 ILE A 6 -19.487 -13.611 -4.448 1.00 0.00 C ATOM 74 CG2 ILE A 6 -19.957 -12.995 -6.823 1.00 0.00 C ATOM 75 CD1 ILE A 6 -20.917 -13.935 -4.015 1.00 0.00 C ATOM 0 H ILE A 6 -17.438 -13.847 -5.174 1.00 0.00 H new ATOM 0 HA ILE A 6 -17.930 -11.533 -6.607 1.00 0.00 H new ATOM 0 HB ILE A 6 -20.196 -11.689 -5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -19.022 -14.492 -4.890 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -18.887 -13.335 -3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -20.956 -13.421 -6.733 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -19.974 -12.179 -7.546 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -19.263 -13.765 -7.162 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -20.903 -14.753 -3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -21.366 -13.055 -3.556 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -21.503 -14.229 -4.886 1.00 0.00 H new ATOM 87 N GLU A 7 -18.028 -10.861 -3.363 1.00 0.00 N ATOM 88 CA GLU A 7 -17.907 -9.711 -2.423 1.00 0.00 C ATOM 89 C GLU A 7 -16.646 -8.912 -2.762 1.00 0.00 C ATOM 90 O GLU A 7 -16.697 -7.718 -2.985 1.00 0.00 O ATOM 91 CB GLU A 7 -17.819 -10.229 -0.982 1.00 0.00 C ATOM 92 CG GLU A 7 -18.303 -9.143 -0.015 1.00 0.00 C ATOM 93 CD GLU A 7 -19.813 -8.948 -0.174 1.00 0.00 C ATOM 94 OE1 GLU A 7 -20.526 -9.937 -0.135 1.00 0.00 O ATOM 95 OE2 GLU A 7 -20.231 -7.813 -0.332 1.00 0.00 O ATOM 0 H GLU A 7 -18.157 -11.773 -2.924 1.00 0.00 H new ATOM 0 HA GLU A 7 -18.782 -9.068 -2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.427 -11.127 -0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -16.792 -10.508 -0.747 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -18.069 -9.426 1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -17.782 -8.206 -0.214 1.00 0.00 H new ATOM 102 N LYS A 8 -15.515 -9.561 -2.801 1.00 0.00 N ATOM 103 CA LYS A 8 -14.250 -8.840 -3.124 1.00 0.00 C ATOM 104 C LYS A 8 -14.457 -7.949 -4.351 1.00 0.00 C ATOM 105 O LYS A 8 -13.996 -6.831 -4.394 1.00 0.00 O ATOM 106 CB LYS A 8 -13.141 -9.850 -3.425 1.00 0.00 C ATOM 107 CG LYS A 8 -13.033 -10.858 -2.279 1.00 0.00 C ATOM 108 CD LYS A 8 -11.703 -11.616 -2.384 1.00 0.00 C ATOM 109 CE LYS A 8 -11.812 -12.973 -1.677 1.00 0.00 C ATOM 110 NZ LYS A 8 -12.134 -14.028 -2.680 1.00 0.00 N ATOM 0 H LYS A 8 -15.411 -10.560 -2.623 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.967 -8.226 -2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -13.353 -10.369 -4.359 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -12.191 -9.332 -3.557 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -13.095 -10.342 -1.321 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -13.867 -11.559 -2.318 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -11.441 -11.763 -3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -10.903 -11.027 -1.935 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -10.875 -13.209 -1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.586 -12.935 -0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.108 -14.361 -2.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -12.043 -13.635 -3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -11.475 -14.825 -2.569 1.00 0.00 H new ATOM 124 N LEU A 9 -15.135 -8.434 -5.353 1.00 0.00 N ATOM 125 CA LEU A 9 -15.347 -7.598 -6.570 1.00 0.00 C ATOM 126 C LEU A 9 -16.241 -6.404 -6.220 1.00 0.00 C ATOM 127 O LEU A 9 -15.983 -5.287 -6.619 1.00 0.00 O ATOM 128 CB LEU A 9 -16.015 -8.444 -7.663 1.00 0.00 C ATOM 129 CG LEU A 9 -14.951 -9.116 -8.544 1.00 0.00 C ATOM 130 CD1 LEU A 9 -14.249 -8.070 -9.421 1.00 0.00 C ATOM 131 CD2 LEU A 9 -13.918 -9.824 -7.657 1.00 0.00 C ATOM 0 H LEU A 9 -15.549 -9.366 -5.384 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.386 -7.234 -6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.651 -9.203 -7.207 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -16.660 -7.814 -8.276 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.438 -9.847 -9.189 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -13.497 -8.560 -10.040 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.983 -7.580 -10.061 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.767 -7.327 -8.786 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.165 -10.300 -8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.438 -9.095 -7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.416 -10.581 -7.051 1.00 0.00 H new ATOM 143 N GLU A 10 -17.290 -6.632 -5.483 1.00 0.00 N ATOM 144 CA GLU A 10 -18.196 -5.508 -5.115 1.00 0.00 C ATOM 145 C GLU A 10 -17.398 -4.414 -4.398 1.00 0.00 C ATOM 146 O GLU A 10 -17.461 -3.252 -4.752 1.00 0.00 O ATOM 147 CB GLU A 10 -19.299 -6.026 -4.190 1.00 0.00 C ATOM 148 CG GLU A 10 -20.277 -6.889 -4.992 1.00 0.00 C ATOM 149 CD GLU A 10 -21.300 -7.519 -4.044 1.00 0.00 C ATOM 150 OE1 GLU A 10 -20.914 -8.390 -3.282 1.00 0.00 O ATOM 151 OE2 GLU A 10 -22.452 -7.121 -4.098 1.00 0.00 O ATOM 0 H GLU A 10 -17.560 -7.546 -5.119 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.643 -5.093 -6.019 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -18.863 -6.610 -3.379 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -19.827 -5.189 -3.733 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -20.785 -6.281 -5.740 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -19.735 -7.668 -5.529 1.00 0.00 H new ATOM 158 N ILE A 11 -16.655 -4.773 -3.387 1.00 0.00 N ATOM 159 CA ILE A 11 -15.866 -3.750 -2.640 1.00 0.00 C ATOM 160 C ILE A 11 -14.635 -3.331 -3.449 1.00 0.00 C ATOM 161 O ILE A 11 -14.530 -2.205 -3.881 1.00 0.00 O ATOM 162 CB ILE A 11 -15.419 -4.323 -1.288 1.00 0.00 C ATOM 163 CG1 ILE A 11 -15.240 -5.846 -1.394 1.00 0.00 C ATOM 164 CG2 ILE A 11 -16.473 -4.006 -0.221 1.00 0.00 C ATOM 165 CD1 ILE A 11 -14.133 -6.297 -0.437 1.00 0.00 C ATOM 0 H ILE A 11 -16.560 -5.729 -3.045 1.00 0.00 H new ATOM 0 HA ILE A 11 -16.496 -2.876 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 11 -14.468 -3.870 -1.008 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -16.175 -6.351 -1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -14.986 -6.123 -2.417 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -16.154 -4.414 0.738 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -16.590 -2.926 -0.135 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -17.425 -4.453 -0.506 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -14.005 -7.377 -0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -13.199 -5.802 -0.702 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -14.406 -6.034 0.585 1.00 0.00 H new ATOM 177 N VAL A 12 -13.700 -4.220 -3.643 1.00 0.00 N ATOM 178 CA VAL A 12 -12.465 -3.864 -4.407 1.00 0.00 C ATOM 179 C VAL A 12 -12.811 -2.963 -5.593 1.00 0.00 C ATOM 180 O VAL A 12 -12.072 -2.061 -5.930 1.00 0.00 O ATOM 181 CB VAL A 12 -11.786 -5.134 -4.924 1.00 0.00 C ATOM 182 CG1 VAL A 12 -10.518 -4.754 -5.691 1.00 0.00 C ATOM 183 CG2 VAL A 12 -11.415 -6.032 -3.741 1.00 0.00 C ATOM 0 H VAL A 12 -13.736 -5.182 -3.305 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.789 -3.332 -3.738 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.468 -5.668 -5.586 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.032 -5.657 -6.061 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.780 -4.113 -6.532 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.837 -4.221 -5.027 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.931 -6.937 -4.109 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.732 -5.499 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.317 -6.301 -3.191 1.00 0.00 H new ATOM 193 N LYS A 13 -13.907 -3.208 -6.248 1.00 0.00 N ATOM 194 CA LYS A 13 -14.262 -2.368 -7.424 1.00 0.00 C ATOM 195 C LYS A 13 -14.940 -1.053 -7.004 1.00 0.00 C ATOM 196 O LYS A 13 -14.721 -0.021 -7.606 1.00 0.00 O ATOM 197 CB LYS A 13 -15.201 -3.152 -8.344 1.00 0.00 C ATOM 198 CG LYS A 13 -15.290 -2.454 -9.709 1.00 0.00 C ATOM 199 CD LYS A 13 -14.157 -2.939 -10.623 1.00 0.00 C ATOM 200 CE LYS A 13 -14.593 -4.211 -11.357 1.00 0.00 C ATOM 201 NZ LYS A 13 -15.781 -3.910 -12.204 1.00 0.00 N ATOM 0 H LYS A 13 -14.571 -3.949 -6.023 1.00 0.00 H new ATOM 0 HA LYS A 13 -13.339 -2.117 -7.947 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -14.836 -4.171 -8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -16.192 -3.221 -7.895 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -16.255 -2.663 -10.171 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -15.226 -1.374 -9.579 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.900 -2.162 -11.343 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.261 -3.136 -10.034 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -13.777 -4.585 -11.975 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.834 -4.994 -10.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.633 -4.294 -13.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -16.627 -4.346 -11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.914 -2.880 -12.262 1.00 0.00 H new ATOM 215 N ASP A 14 -15.792 -1.084 -6.017 1.00 0.00 N ATOM 216 CA ASP A 14 -16.511 0.166 -5.614 1.00 0.00 C ATOM 217 C ASP A 14 -15.645 1.073 -4.724 1.00 0.00 C ATOM 218 O ASP A 14 -15.703 2.282 -4.826 1.00 0.00 O ATOM 219 CB ASP A 14 -17.779 -0.217 -4.850 1.00 0.00 C ATOM 220 CG ASP A 14 -18.630 1.032 -4.613 1.00 0.00 C ATOM 221 OD1 ASP A 14 -18.058 2.106 -4.528 1.00 0.00 O ATOM 222 OD2 ASP A 14 -19.837 0.892 -4.520 1.00 0.00 O ATOM 0 H ASP A 14 -16.023 -1.915 -5.472 1.00 0.00 H new ATOM 0 HA ASP A 14 -16.751 0.721 -6.521 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -18.348 -0.955 -5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.517 -0.677 -3.897 1.00 0.00 H new ATOM 227 N HIS A 15 -14.888 0.513 -3.824 1.00 0.00 N ATOM 228 CA HIS A 15 -14.073 1.357 -2.896 1.00 0.00 C ATOM 229 C HIS A 15 -12.840 1.968 -3.590 1.00 0.00 C ATOM 230 O HIS A 15 -12.457 3.083 -3.299 1.00 0.00 O ATOM 231 CB HIS A 15 -13.626 0.505 -1.702 1.00 0.00 C ATOM 232 CG HIS A 15 -12.340 -0.203 -2.025 1.00 0.00 C ATOM 233 ND1 HIS A 15 -11.951 -0.951 -3.108 1.00 0.00 N flip ATOM 234 CD2 HIS A 15 -11.249 -0.182 -1.168 1.00 0.00 C flip ATOM 235 CE1 HIS A 15 -10.644 -1.385 -2.927 1.00 0.00 C flip ATOM 236 NE2 HIS A 15 -10.265 -0.896 -1.745 1.00 0.00 N flip ATOM 0 H HIS A 15 -14.796 -0.494 -3.688 1.00 0.00 H new ATOM 0 HA HIS A 15 -14.699 2.185 -2.562 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -13.492 1.137 -0.824 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.399 -0.223 -1.455 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -11.199 0.317 -0.211 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -10.058 -1.991 -3.602 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -9.345 -1.045 -1.331 1.00 0.00 H new ATOM 245 N LEU A 16 -12.193 1.245 -4.463 1.00 0.00 N ATOM 246 CA LEU A 16 -10.961 1.790 -5.120 1.00 0.00 C ATOM 247 C LEU A 16 -11.107 3.282 -5.445 1.00 0.00 C ATOM 248 O LEU A 16 -10.155 4.031 -5.362 1.00 0.00 O ATOM 249 CB LEU A 16 -10.642 1.008 -6.405 1.00 0.00 C ATOM 250 CG LEU A 16 -11.871 0.916 -7.323 1.00 0.00 C ATOM 251 CD1 LEU A 16 -12.124 2.252 -8.046 1.00 0.00 C ATOM 252 CD2 LEU A 16 -11.625 -0.174 -8.373 1.00 0.00 C ATOM 0 H LEU A 16 -12.459 0.304 -4.752 1.00 0.00 H new ATOM 0 HA LEU A 16 -10.139 1.674 -4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.824 1.495 -6.936 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -10.302 0.005 -6.148 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.743 0.679 -6.713 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -12.999 2.158 -8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -12.297 3.037 -7.310 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -11.255 2.508 -8.652 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.491 -0.248 -9.030 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -10.744 0.080 -8.962 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.465 -1.130 -7.874 1.00 0.00 H new ATOM 264 N LEU A 17 -12.266 3.722 -5.847 1.00 0.00 N ATOM 265 CA LEU A 17 -12.419 5.162 -6.208 1.00 0.00 C ATOM 266 C LEU A 17 -12.402 6.048 -4.950 1.00 0.00 C ATOM 267 O LEU A 17 -11.492 6.829 -4.763 1.00 0.00 O ATOM 268 CB LEU A 17 -13.730 5.364 -6.989 1.00 0.00 C ATOM 269 CG LEU A 17 -13.442 5.432 -8.496 1.00 0.00 C ATOM 270 CD1 LEU A 17 -14.716 5.098 -9.278 1.00 0.00 C ATOM 271 CD2 LEU A 17 -12.976 6.845 -8.871 1.00 0.00 C ATOM 0 H LEU A 17 -13.108 3.154 -5.941 1.00 0.00 H new ATOM 0 HA LEU A 17 -11.578 5.456 -6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.417 4.545 -6.779 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.219 6.282 -6.663 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.661 4.713 -8.743 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.510 5.147 -10.347 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.050 4.093 -9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.496 5.816 -9.026 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.773 6.889 -9.941 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.756 7.564 -8.620 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.068 7.087 -8.319 1.00 0.00 H new ATOM 283 N PRO A 18 -13.397 5.951 -4.104 1.00 0.00 N ATOM 284 CA PRO A 18 -13.481 6.788 -2.864 1.00 0.00 C ATOM 285 C PRO A 18 -12.401 6.454 -1.824 1.00 0.00 C ATOM 286 O PRO A 18 -11.746 7.330 -1.295 1.00 0.00 O ATOM 287 CB PRO A 18 -14.870 6.460 -2.303 1.00 0.00 C ATOM 288 CG PRO A 18 -15.179 5.101 -2.826 1.00 0.00 C ATOM 289 CD PRO A 18 -14.551 5.042 -4.217 1.00 0.00 C ATOM 0 HA PRO A 18 -13.325 7.842 -3.093 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.870 6.474 -1.213 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.611 7.188 -2.631 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.767 4.328 -2.177 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.255 4.935 -2.875 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.242 4.029 -4.477 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.248 5.370 -4.988 1.00 0.00 H new ATOM 297 N LYS A 19 -12.229 5.201 -1.509 1.00 0.00 N ATOM 298 CA LYS A 19 -11.213 4.821 -0.482 1.00 0.00 C ATOM 299 C LYS A 19 -9.904 5.581 -0.713 1.00 0.00 C ATOM 300 O LYS A 19 -9.377 6.211 0.182 1.00 0.00 O ATOM 301 CB LYS A 19 -10.943 3.315 -0.565 1.00 0.00 C ATOM 302 CG LYS A 19 -10.190 2.856 0.691 1.00 0.00 C ATOM 303 CD LYS A 19 -11.190 2.476 1.789 1.00 0.00 C ATOM 304 CE LYS A 19 -10.501 2.531 3.158 1.00 0.00 C ATOM 305 NZ LYS A 19 -9.054 2.210 3.002 1.00 0.00 N ATOM 0 H LYS A 19 -12.746 4.422 -1.917 1.00 0.00 H new ATOM 0 HA LYS A 19 -11.601 5.077 0.504 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -11.883 2.771 -0.656 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.357 3.089 -1.456 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.555 2.002 0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.534 3.652 1.044 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -12.040 3.158 1.772 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.581 1.475 1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.619 3.522 3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.970 1.823 3.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.651 1.965 3.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.945 1.405 2.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.555 3.036 2.615 1.00 0.00 H new ATOM 319 N GLN A 20 -9.364 5.514 -1.898 1.00 0.00 N ATOM 320 CA GLN A 20 -8.079 6.218 -2.174 1.00 0.00 C ATOM 321 C GLN A 20 -8.301 7.731 -2.263 1.00 0.00 C ATOM 322 O GLN A 20 -7.650 8.500 -1.588 1.00 0.00 O ATOM 323 CB GLN A 20 -7.505 5.712 -3.499 1.00 0.00 C ATOM 324 CG GLN A 20 -7.523 4.182 -3.512 1.00 0.00 C ATOM 325 CD GLN A 20 -6.747 3.651 -2.305 1.00 0.00 C ATOM 326 OE1 GLN A 20 -5.708 4.310 -1.870 1.00 0.00 O flip ATOM 327 NE2 GLN A 20 -7.088 2.625 -1.752 1.00 0.00 N flip ATOM 0 H GLN A 20 -9.757 5.002 -2.688 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.383 6.014 -1.360 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.090 6.100 -4.333 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.486 6.075 -3.628 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.551 3.820 -3.485 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.079 3.811 -4.435 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.900 2.109 -2.091 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.563 2.280 -0.949 1.00 0.00 H new ATOM 336 N ILE A 21 -9.195 8.165 -3.105 1.00 0.00 N ATOM 337 CA ILE A 21 -9.435 9.632 -3.257 1.00 0.00 C ATOM 338 C ILE A 21 -9.560 10.313 -1.888 1.00 0.00 C ATOM 339 O ILE A 21 -9.115 11.424 -1.709 1.00 0.00 O ATOM 340 CB ILE A 21 -10.708 9.872 -4.092 1.00 0.00 C ATOM 341 CG1 ILE A 21 -10.525 11.121 -4.966 1.00 0.00 C ATOM 342 CG2 ILE A 21 -11.920 10.078 -3.179 1.00 0.00 C ATOM 343 CD1 ILE A 21 -9.460 10.866 -6.040 1.00 0.00 C ATOM 0 H ILE A 21 -9.773 7.568 -3.697 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.581 10.069 -3.774 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.878 8.997 -4.720 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -11.471 11.385 -5.438 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -10.231 11.968 -4.346 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -12.809 10.246 -3.787 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -12.065 9.192 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -11.750 10.943 -2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -9.340 11.759 -6.653 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.511 10.624 -5.561 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -9.771 10.033 -6.670 1.00 0.00 H new ATOM 355 N LYS A 22 -10.183 9.683 -0.931 1.00 0.00 N ATOM 356 CA LYS A 22 -10.343 10.343 0.400 1.00 0.00 C ATOM 357 C LYS A 22 -8.994 10.451 1.115 1.00 0.00 C ATOM 358 O LYS A 22 -8.357 11.490 1.105 1.00 0.00 O ATOM 359 CB LYS A 22 -11.312 9.528 1.259 1.00 0.00 C ATOM 360 CG LYS A 22 -11.601 10.282 2.560 1.00 0.00 C ATOM 361 CD LYS A 22 -12.807 9.651 3.257 1.00 0.00 C ATOM 362 CE LYS A 22 -13.063 10.367 4.586 1.00 0.00 C ATOM 363 NZ LYS A 22 -13.080 11.840 4.361 1.00 0.00 N ATOM 0 H LYS A 22 -10.585 8.749 -1.009 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.738 11.347 0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.240 9.354 0.714 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.884 8.550 1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.730 10.247 3.214 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.799 11.333 2.348 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.687 9.722 2.618 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -12.625 8.591 3.432 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -14.013 10.042 5.009 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -12.288 10.107 5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.574 12.306 5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -12.104 12.194 4.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -13.574 12.049 3.470 1.00 0.00 H new ATOM 377 N GLU A 23 -8.557 9.391 1.739 1.00 0.00 N ATOM 378 CA GLU A 23 -7.252 9.432 2.462 1.00 0.00 C ATOM 379 C GLU A 23 -6.223 10.171 1.609 1.00 0.00 C ATOM 380 O GLU A 23 -5.412 10.928 2.104 1.00 0.00 O ATOM 381 CB GLU A 23 -6.769 8.003 2.723 1.00 0.00 C ATOM 382 CG GLU A 23 -7.829 7.245 3.525 1.00 0.00 C ATOM 383 CD GLU A 23 -7.891 7.803 4.949 1.00 0.00 C ATOM 384 OE1 GLU A 23 -6.970 8.508 5.328 1.00 0.00 O ATOM 385 OE2 GLU A 23 -8.858 7.517 5.635 1.00 0.00 O ATOM 0 H GLU A 23 -9.047 8.497 1.780 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.377 9.952 3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.579 7.494 1.778 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.827 8.020 3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.802 7.341 3.043 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.589 6.182 3.550 1.00 0.00 H new ATOM 392 N HIS A 24 -6.257 9.955 0.327 1.00 0.00 N ATOM 393 CA HIS A 24 -5.292 10.637 -0.578 1.00 0.00 C ATOM 394 C HIS A 24 -5.794 12.052 -0.872 1.00 0.00 C ATOM 395 O HIS A 24 -5.028 12.989 -0.952 1.00 0.00 O ATOM 396 CB HIS A 24 -5.161 9.838 -1.876 1.00 0.00 C ATOM 397 CG HIS A 24 -4.892 8.395 -1.535 1.00 0.00 C ATOM 398 ND1 HIS A 24 -5.517 7.754 -0.474 1.00 0.00 N ATOM 399 CD2 HIS A 24 -4.057 7.458 -2.095 1.00 0.00 C ATOM 400 CE1 HIS A 24 -5.051 6.493 -0.428 1.00 0.00 C ATOM 401 NE2 HIS A 24 -4.161 6.264 -1.393 1.00 0.00 N ATOM 0 H HIS A 24 -6.916 9.331 -0.138 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.313 10.698 -0.103 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -6.075 9.922 -2.465 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -4.351 10.239 -2.485 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.418 7.625 -2.950 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -5.360 5.758 0.300 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.661 5.394 -1.577 1.00 0.00 H new ATOM 410 N GLY A 25 -7.081 12.207 -1.033 1.00 0.00 N ATOM 411 CA GLY A 25 -7.659 13.555 -1.320 1.00 0.00 C ATOM 412 C GLY A 25 -6.979 14.611 -0.449 1.00 0.00 C ATOM 413 O GLY A 25 -6.732 15.718 -0.886 1.00 0.00 O ATOM 0 H GLY A 25 -7.764 11.451 -0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.526 13.800 -2.374 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.732 13.548 -1.127 1.00 0.00 H new ATOM 417 N LEU A 26 -6.686 14.284 0.782 1.00 0.00 N ATOM 418 CA LEU A 26 -6.029 15.278 1.686 1.00 0.00 C ATOM 419 C LEU A 26 -5.005 16.092 0.886 1.00 0.00 C ATOM 420 O LEU A 26 -4.882 17.289 1.053 1.00 0.00 O ATOM 421 CB LEU A 26 -5.324 14.543 2.832 1.00 0.00 C ATOM 422 CG LEU A 26 -6.347 14.162 3.908 1.00 0.00 C ATOM 423 CD1 LEU A 26 -7.458 13.315 3.284 1.00 0.00 C ATOM 424 CD2 LEU A 26 -5.652 13.354 5.006 1.00 0.00 C ATOM 0 H LEU A 26 -6.872 13.373 1.202 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.782 15.949 2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.830 13.648 2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.549 15.178 3.262 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.777 15.068 4.335 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.184 13.045 4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.954 13.886 2.499 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.028 12.409 2.857 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.378 13.082 5.772 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.223 12.449 4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.860 13.954 5.453 1.00 0.00 H new ATOM 436 N LYS A 27 -4.286 15.454 0.004 1.00 0.00 N ATOM 437 CA LYS A 27 -3.290 16.186 -0.826 1.00 0.00 C ATOM 438 C LYS A 27 -3.950 16.571 -2.151 1.00 0.00 C ATOM 439 O LYS A 27 -5.009 16.081 -2.488 1.00 0.00 O ATOM 440 CB LYS A 27 -2.086 15.278 -1.096 1.00 0.00 C ATOM 441 CG LYS A 27 -1.200 15.196 0.158 1.00 0.00 C ATOM 442 CD LYS A 27 -0.017 16.166 0.031 1.00 0.00 C ATOM 443 CE LYS A 27 1.112 15.497 -0.756 1.00 0.00 C ATOM 444 NZ LYS A 27 2.168 16.503 -1.064 1.00 0.00 N ATOM 0 H LYS A 27 -4.346 14.452 -0.178 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.952 17.081 -0.304 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.427 14.281 -1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.508 15.665 -1.935 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.787 15.439 1.044 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.833 14.178 0.288 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.334 17.079 -0.473 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.337 16.455 1.020 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.535 14.675 -0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.722 15.069 -1.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.935 16.048 -1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.759 17.273 -1.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.547 16.891 -0.177 1.00 0.00 H new ATOM 458 N LYS A 28 -3.340 17.439 -2.909 1.00 0.00 N ATOM 459 CA LYS A 28 -3.949 17.841 -4.211 1.00 0.00 C ATOM 460 C LYS A 28 -4.407 16.590 -4.967 1.00 0.00 C ATOM 461 O LYS A 28 -3.899 15.507 -4.755 1.00 0.00 O ATOM 462 CB LYS A 28 -2.912 18.590 -5.047 1.00 0.00 C ATOM 463 CG LYS A 28 -1.664 17.721 -5.206 1.00 0.00 C ATOM 464 CD LYS A 28 -0.590 18.503 -5.965 1.00 0.00 C ATOM 465 CE LYS A 28 0.633 17.611 -6.177 1.00 0.00 C ATOM 466 NZ LYS A 28 1.753 18.429 -6.721 1.00 0.00 N ATOM 0 H LYS A 28 -2.451 17.886 -2.686 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.806 18.489 -4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -3.325 18.835 -6.025 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -2.653 19.533 -4.566 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.288 17.423 -4.227 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.911 16.806 -5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.980 18.839 -6.926 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.310 19.395 -5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.929 17.150 -5.234 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.391 16.801 -6.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.586 17.824 -6.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 1.467 18.848 -7.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.988 19.187 -6.048 1.00 0.00 H new ATOM 480 N SER A 29 -5.364 16.730 -5.847 1.00 0.00 N ATOM 481 CA SER A 29 -5.855 15.550 -6.617 1.00 0.00 C ATOM 482 C SER A 29 -4.662 14.712 -7.076 1.00 0.00 C ATOM 483 O SER A 29 -4.053 14.985 -8.093 1.00 0.00 O ATOM 484 CB SER A 29 -6.640 16.029 -7.837 1.00 0.00 C ATOM 485 OG SER A 29 -7.146 14.904 -8.543 1.00 0.00 O ATOM 0 H SER A 29 -5.827 17.612 -6.066 1.00 0.00 H new ATOM 0 HA SER A 29 -6.503 14.945 -5.983 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.460 16.676 -7.525 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.997 16.622 -8.488 1.00 0.00 H new ATOM 0 HG SER A 29 -7.651 15.209 -9.325 1.00 0.00 H new ATOM 491 N ASN A 30 -4.315 13.702 -6.323 1.00 0.00 N ATOM 492 CA ASN A 30 -3.150 12.846 -6.697 1.00 0.00 C ATOM 493 C ASN A 30 -3.600 11.395 -6.887 1.00 0.00 C ATOM 494 O ASN A 30 -3.175 10.510 -6.172 1.00 0.00 O ATOM 495 CB ASN A 30 -2.107 12.907 -5.578 1.00 0.00 C ATOM 496 CG ASN A 30 -0.834 12.187 -6.025 1.00 0.00 C ATOM 497 OD1 ASN A 30 -0.759 10.976 -5.976 1.00 0.00 O ATOM 498 ND2 ASN A 30 0.178 12.887 -6.462 1.00 0.00 N ATOM 0 H ASN A 30 -4.790 13.432 -5.462 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.722 13.211 -7.631 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.883 13.945 -5.332 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -2.501 12.443 -4.674 1.00 0.00 H new ATOM 0 HD21 ASN A 30 1.032 12.417 -6.762 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.115 13.904 -6.503 1.00 0.00 H new ATOM 505 N LEU A 31 -4.453 11.136 -7.844 1.00 0.00 N ATOM 506 CA LEU A 31 -4.909 9.733 -8.061 1.00 0.00 C ATOM 507 C LEU A 31 -5.509 9.573 -9.462 1.00 0.00 C ATOM 508 O LEU A 31 -6.495 10.196 -9.799 1.00 0.00 O ATOM 509 CB LEU A 31 -5.970 9.378 -7.017 1.00 0.00 C ATOM 510 CG LEU A 31 -6.228 7.865 -7.035 1.00 0.00 C ATOM 511 CD1 LEU A 31 -5.271 7.166 -6.064 1.00 0.00 C ATOM 512 CD2 LEU A 31 -7.672 7.586 -6.612 1.00 0.00 C ATOM 0 H LEU A 31 -4.850 11.829 -8.479 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.051 9.067 -7.966 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.637 9.688 -6.026 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.894 9.917 -7.226 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.063 7.485 -8.043 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.457 6.092 -6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.241 7.360 -6.365 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.433 7.548 -5.056 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.854 6.511 -6.625 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.837 7.970 -5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.355 8.078 -7.304 1.00 0.00 H new ATOM 524 N GLN A 32 -4.932 8.725 -10.275 1.00 0.00 N ATOM 525 CA GLN A 32 -5.482 8.504 -11.646 1.00 0.00 C ATOM 526 C GLN A 32 -5.305 7.030 -12.020 1.00 0.00 C ATOM 527 O GLN A 32 -4.573 6.689 -12.927 1.00 0.00 O ATOM 528 CB GLN A 32 -4.738 9.392 -12.654 1.00 0.00 C ATOM 529 CG GLN A 32 -5.468 10.731 -12.805 1.00 0.00 C ATOM 530 CD GLN A 32 -6.815 10.507 -13.497 1.00 0.00 C ATOM 531 OE1 GLN A 32 -6.862 10.154 -14.659 1.00 0.00 O ATOM 532 NE2 GLN A 32 -7.918 10.701 -12.829 1.00 0.00 N ATOM 0 H GLN A 32 -4.103 8.176 -10.048 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.541 8.763 -11.665 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.715 9.561 -12.318 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -4.677 8.890 -13.619 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -5.622 11.185 -11.826 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -4.860 11.424 -13.386 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.878 10.997 -11.854 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -8.821 10.556 -13.282 1.00 0.00 H new ATOM 541 N LEU A 33 -5.968 6.150 -11.321 1.00 0.00 N ATOM 542 CA LEU A 33 -5.835 4.698 -11.625 1.00 0.00 C ATOM 543 C LEU A 33 -6.994 4.243 -12.510 1.00 0.00 C ATOM 544 O LEU A 33 -7.935 4.974 -12.751 1.00 0.00 O ATOM 545 CB LEU A 33 -5.847 3.899 -10.317 1.00 0.00 C ATOM 546 CG LEU A 33 -7.138 4.186 -9.534 1.00 0.00 C ATOM 547 CD1 LEU A 33 -8.315 3.390 -10.123 1.00 0.00 C ATOM 548 CD2 LEU A 33 -6.935 3.788 -8.067 1.00 0.00 C ATOM 0 H LEU A 33 -6.598 6.375 -10.551 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.895 4.527 -12.150 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.773 2.833 -10.532 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.979 4.163 -9.712 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.367 5.249 -9.605 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.220 3.606 -9.556 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.462 3.676 -11.165 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.097 2.323 -10.067 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.848 3.989 -7.506 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.699 2.725 -8.008 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.114 4.366 -7.643 1.00 0.00 H new ATOM 560 N ARG A 34 -6.926 3.032 -12.992 1.00 0.00 N ATOM 561 CA ARG A 34 -8.012 2.494 -13.862 1.00 0.00 C ATOM 562 C ARG A 34 -8.538 1.196 -13.249 1.00 0.00 C ATOM 563 O ARG A 34 -7.939 0.638 -12.351 1.00 0.00 O ATOM 564 CB ARG A 34 -7.450 2.202 -15.258 1.00 0.00 C ATOM 565 CG ARG A 34 -6.870 3.486 -15.868 1.00 0.00 C ATOM 566 CD ARG A 34 -7.936 4.186 -16.714 1.00 0.00 C ATOM 567 NE ARG A 34 -7.369 5.443 -17.282 1.00 0.00 N ATOM 568 CZ ARG A 34 -7.824 5.921 -18.410 1.00 0.00 C ATOM 569 NH1 ARG A 34 -8.780 5.301 -19.048 1.00 0.00 N ATOM 570 NH2 ARG A 34 -7.321 7.021 -18.900 1.00 0.00 N ATOM 0 H ARG A 34 -6.156 2.385 -12.819 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.818 3.223 -13.941 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.676 1.437 -15.195 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.237 1.807 -15.901 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.526 4.152 -15.077 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -6.003 3.247 -16.484 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -8.269 3.528 -17.517 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -8.811 4.411 -16.104 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.623 5.932 -16.788 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.174 4.441 -18.666 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.133 5.677 -19.928 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.574 7.506 -18.403 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -7.675 7.396 -19.780 1.00 0.00 H new ATOM 584 N ASP A 35 -9.648 0.707 -13.725 1.00 0.00 N ATOM 585 CA ASP A 35 -10.201 -0.557 -13.164 1.00 0.00 C ATOM 586 C ASP A 35 -9.240 -1.709 -13.468 1.00 0.00 C ATOM 587 O ASP A 35 -8.993 -2.560 -12.636 1.00 0.00 O ATOM 588 CB ASP A 35 -11.562 -0.846 -13.802 1.00 0.00 C ATOM 589 CG ASP A 35 -12.529 0.294 -13.478 1.00 0.00 C ATOM 590 OD1 ASP A 35 -12.362 1.365 -14.038 1.00 0.00 O ATOM 591 OD2 ASP A 35 -13.421 0.076 -12.674 1.00 0.00 O ATOM 0 H ASP A 35 -10.196 1.126 -14.476 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.321 -0.456 -12.085 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -11.455 -0.950 -14.882 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.958 -1.790 -13.428 1.00 0.00 H new ATOM 596 N GLN A 36 -8.697 -1.741 -14.654 1.00 0.00 N ATOM 597 CA GLN A 36 -7.753 -2.836 -15.018 1.00 0.00 C ATOM 598 C GLN A 36 -6.587 -2.865 -14.027 1.00 0.00 C ATOM 599 O GLN A 36 -6.127 -3.916 -13.629 1.00 0.00 O ATOM 600 CB GLN A 36 -7.216 -2.595 -16.431 1.00 0.00 C ATOM 601 CG GLN A 36 -6.432 -3.822 -16.906 1.00 0.00 C ATOM 602 CD GLN A 36 -5.055 -3.841 -16.242 1.00 0.00 C ATOM 603 OE1 GLN A 36 -4.600 -2.837 -15.729 1.00 0.00 O ATOM 604 NE2 GLN A 36 -4.365 -4.950 -16.229 1.00 0.00 N ATOM 0 H GLN A 36 -8.867 -1.054 -15.389 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.277 -3.791 -14.984 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.041 -2.393 -17.114 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.572 -1.715 -16.440 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -6.978 -4.733 -16.659 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.323 -3.799 -17.990 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.746 -5.793 -16.659 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.445 -4.973 -15.789 1.00 0.00 H new ATOM 613 N ALA A 37 -6.101 -1.722 -13.629 1.00 0.00 N ATOM 614 CA ALA A 37 -4.961 -1.688 -12.669 1.00 0.00 C ATOM 615 C ALA A 37 -5.356 -2.402 -11.373 1.00 0.00 C ATOM 616 O ALA A 37 -4.845 -3.457 -11.052 1.00 0.00 O ATOM 617 CB ALA A 37 -4.600 -0.232 -12.362 1.00 0.00 C ATOM 0 H ALA A 37 -6.444 -0.809 -13.927 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.101 -2.193 -13.109 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.767 -0.204 -11.660 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.315 0.274 -13.284 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.461 0.272 -11.923 1.00 0.00 H new ATOM 623 N ILE A 38 -6.263 -1.831 -10.624 1.00 0.00 N ATOM 624 CA ILE A 38 -6.694 -2.470 -9.348 1.00 0.00 C ATOM 625 C ILE A 38 -6.946 -3.964 -9.581 1.00 0.00 C ATOM 626 O ILE A 38 -6.628 -4.794 -8.754 1.00 0.00 O ATOM 627 CB ILE A 38 -7.982 -1.799 -8.853 1.00 0.00 C ATOM 628 CG1 ILE A 38 -7.660 -0.392 -8.319 1.00 0.00 C ATOM 629 CG2 ILE A 38 -8.615 -2.646 -7.742 1.00 0.00 C ATOM 630 CD1 ILE A 38 -7.242 -0.466 -6.846 1.00 0.00 C ATOM 0 H ILE A 38 -6.724 -0.948 -10.843 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.912 -2.351 -8.598 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.686 -1.716 -9.681 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -6.860 0.054 -8.909 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -8.532 0.253 -8.425 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -9.529 -2.165 -7.394 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.851 -3.637 -8.130 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.915 -2.739 -6.912 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -7.017 0.536 -6.481 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -8.055 -0.892 -6.258 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -6.356 -1.094 -6.750 1.00 0.00 H new ATOM 642 N LEU A 39 -7.524 -4.310 -10.700 1.00 0.00 N ATOM 643 CA LEU A 39 -7.805 -5.747 -10.987 1.00 0.00 C ATOM 644 C LEU A 39 -6.490 -6.512 -11.165 1.00 0.00 C ATOM 645 O LEU A 39 -6.355 -7.641 -10.740 1.00 0.00 O ATOM 646 CB LEU A 39 -8.634 -5.860 -12.270 1.00 0.00 C ATOM 647 CG LEU A 39 -10.069 -5.382 -12.010 1.00 0.00 C ATOM 648 CD1 LEU A 39 -10.741 -5.032 -13.340 1.00 0.00 C ATOM 649 CD2 LEU A 39 -10.873 -6.491 -11.320 1.00 0.00 C ATOM 0 H LEU A 39 -7.814 -3.658 -11.429 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.360 -6.175 -10.152 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.180 -5.262 -13.060 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.643 -6.893 -12.617 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.038 -4.502 -11.367 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.760 -4.693 -13.155 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.179 -4.240 -13.834 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -10.763 -5.914 -13.980 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.890 -6.144 -11.139 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.899 -7.373 -11.960 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.402 -6.745 -10.370 1.00 0.00 H new ATOM 661 N ASP A 40 -5.529 -5.913 -11.804 1.00 0.00 N ATOM 662 CA ASP A 40 -4.229 -6.610 -12.024 1.00 0.00 C ATOM 663 C ASP A 40 -3.547 -6.886 -10.682 1.00 0.00 C ATOM 664 O ASP A 40 -3.167 -8.002 -10.388 1.00 0.00 O ATOM 665 CB ASP A 40 -3.321 -5.729 -12.885 1.00 0.00 C ATOM 666 CG ASP A 40 -1.981 -6.435 -13.102 1.00 0.00 C ATOM 667 OD1 ASP A 40 -1.169 -6.417 -12.191 1.00 0.00 O ATOM 668 OD2 ASP A 40 -1.788 -6.981 -14.176 1.00 0.00 O ATOM 0 H ASP A 40 -5.585 -4.969 -12.186 1.00 0.00 H new ATOM 0 HA ASP A 40 -4.413 -7.557 -12.531 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.797 -5.526 -13.844 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -3.162 -4.767 -12.398 1.00 0.00 H new ATOM 673 N ILE A 41 -3.372 -5.879 -9.872 1.00 0.00 N ATOM 674 CA ILE A 41 -2.696 -6.091 -8.558 1.00 0.00 C ATOM 675 C ILE A 41 -3.395 -7.210 -7.774 1.00 0.00 C ATOM 676 O ILE A 41 -2.776 -8.186 -7.397 1.00 0.00 O ATOM 677 CB ILE A 41 -2.710 -4.790 -7.741 1.00 0.00 C ATOM 678 CG1 ILE A 41 -2.363 -5.100 -6.280 1.00 0.00 C ATOM 679 CG2 ILE A 41 -4.093 -4.138 -7.806 1.00 0.00 C ATOM 680 CD1 ILE A 41 -1.941 -3.815 -5.564 1.00 0.00 C ATOM 0 H ILE A 41 -3.666 -4.921 -10.061 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.662 -6.384 -8.741 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.973 -4.103 -8.158 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.224 -5.541 -5.778 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.558 -5.833 -6.236 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.089 -3.217 -7.223 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -4.339 -3.910 -8.843 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.837 -4.822 -7.399 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.695 -4.041 -4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -1.067 -3.392 -6.060 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.759 -3.096 -5.595 1.00 0.00 H new ATOM 692 N ILE A 42 -4.667 -7.083 -7.512 1.00 0.00 N ATOM 693 CA ILE A 42 -5.372 -8.147 -6.740 1.00 0.00 C ATOM 694 C ILE A 42 -5.273 -9.480 -7.486 1.00 0.00 C ATOM 695 O ILE A 42 -4.938 -10.497 -6.912 1.00 0.00 O ATOM 696 CB ILE A 42 -6.844 -7.769 -6.555 1.00 0.00 C ATOM 697 CG1 ILE A 42 -7.550 -8.859 -5.743 1.00 0.00 C ATOM 698 CG2 ILE A 42 -7.520 -7.632 -7.920 1.00 0.00 C ATOM 699 CD1 ILE A 42 -8.956 -8.391 -5.370 1.00 0.00 C ATOM 0 H ILE A 42 -5.247 -6.293 -7.797 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.902 -8.246 -5.761 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.908 -6.818 -6.026 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -7.604 -9.781 -6.323 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -6.979 -9.082 -4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -8.567 -7.363 -7.782 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -7.019 -6.855 -8.498 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -7.456 -8.580 -8.454 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -9.457 -9.168 -4.792 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.890 -7.481 -4.774 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.525 -8.190 -6.278 1.00 0.00 H new ATOM 711 N ARG A 43 -5.559 -9.487 -8.758 1.00 0.00 N ATOM 712 CA ARG A 43 -5.476 -10.759 -9.529 1.00 0.00 C ATOM 713 C ARG A 43 -4.092 -11.383 -9.339 1.00 0.00 C ATOM 714 O ARG A 43 -3.954 -12.584 -9.220 1.00 0.00 O ATOM 715 CB ARG A 43 -5.709 -10.479 -11.016 1.00 0.00 C ATOM 716 CG ARG A 43 -5.862 -11.804 -11.766 1.00 0.00 C ATOM 717 CD ARG A 43 -5.928 -11.539 -13.271 1.00 0.00 C ATOM 718 NE ARG A 43 -6.489 -12.735 -13.960 1.00 0.00 N ATOM 719 CZ ARG A 43 -6.273 -12.917 -15.234 1.00 0.00 C ATOM 720 NH1 ARG A 43 -5.559 -12.053 -15.905 1.00 0.00 N ATOM 721 NH2 ARG A 43 -6.767 -13.963 -15.837 1.00 0.00 N ATOM 0 H ARG A 43 -5.846 -8.669 -9.296 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.239 -11.448 -9.168 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.603 -9.869 -11.147 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.874 -9.911 -11.426 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -5.022 -12.461 -11.539 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.766 -12.317 -11.437 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.549 -10.666 -13.471 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.933 -11.317 -13.656 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.043 -13.412 -13.435 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -5.171 -11.236 -15.433 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.390 -12.195 -16.901 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.322 -14.639 -15.313 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.598 -14.105 -16.833 1.00 0.00 H new ATOM 735 N TYR A 44 -3.066 -10.577 -9.310 1.00 0.00 N ATOM 736 CA TYR A 44 -1.695 -11.123 -9.130 1.00 0.00 C ATOM 737 C TYR A 44 -1.582 -11.743 -7.739 1.00 0.00 C ATOM 738 O TYR A 44 -0.955 -12.766 -7.550 1.00 0.00 O ATOM 739 CB TYR A 44 -0.676 -9.984 -9.266 1.00 0.00 C ATOM 740 CG TYR A 44 -0.333 -9.759 -10.724 1.00 0.00 C ATOM 741 CD1 TYR A 44 -1.290 -9.988 -11.724 1.00 0.00 C ATOM 742 CD2 TYR A 44 0.949 -9.318 -11.072 1.00 0.00 C ATOM 743 CE1 TYR A 44 -0.960 -9.776 -13.067 1.00 0.00 C ATOM 744 CE2 TYR A 44 1.277 -9.107 -12.416 1.00 0.00 C ATOM 745 CZ TYR A 44 0.322 -9.335 -13.414 1.00 0.00 C ATOM 746 OH TYR A 44 0.646 -9.127 -14.739 1.00 0.00 O ATOM 0 H TYR A 44 -3.120 -9.563 -9.404 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.496 -11.882 -9.887 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.083 -9.069 -8.835 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.227 -10.226 -8.706 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.280 -10.327 -11.457 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.686 -9.140 -10.303 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.696 -9.953 -13.837 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.267 -8.768 -12.683 1.00 0.00 H new ATOM 0 HH TYR A 44 1.575 -8.821 -14.805 1.00 0.00 H new ATOM 756 N TYR A 45 -2.174 -11.118 -6.761 1.00 0.00 N ATOM 757 CA TYR A 45 -2.093 -11.649 -5.373 1.00 0.00 C ATOM 758 C TYR A 45 -3.298 -12.536 -5.071 1.00 0.00 C ATOM 759 O TYR A 45 -3.189 -13.745 -5.008 1.00 0.00 O ATOM 760 CB TYR A 45 -2.063 -10.475 -4.398 1.00 0.00 C ATOM 761 CG TYR A 45 -0.762 -9.743 -4.576 1.00 0.00 C ATOM 762 CD1 TYR A 45 0.440 -10.373 -4.241 1.00 0.00 C ATOM 763 CD2 TYR A 45 -0.752 -8.443 -5.092 1.00 0.00 C ATOM 764 CE1 TYR A 45 1.653 -9.705 -4.419 1.00 0.00 C ATOM 765 CE2 TYR A 45 0.460 -7.775 -5.273 1.00 0.00 C ATOM 766 CZ TYR A 45 1.665 -8.404 -4.936 1.00 0.00 C ATOM 767 OH TYR A 45 2.863 -7.743 -5.117 1.00 0.00 O ATOM 0 H TYR A 45 -2.713 -10.258 -6.864 1.00 0.00 H new ATOM 0 HA TYR A 45 -1.188 -12.247 -5.268 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -2.903 -9.806 -4.584 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -2.160 -10.831 -3.372 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.430 -11.377 -3.844 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -1.681 -7.957 -5.350 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.581 -10.191 -4.158 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.469 -6.772 -5.673 1.00 0.00 H new ATOM 0 HH TYR A 45 2.692 -6.851 -5.485 1.00 0.00 H new ATOM 777 N THR A 46 -4.444 -11.950 -4.867 1.00 0.00 N ATOM 778 CA THR A 46 -5.643 -12.771 -4.552 1.00 0.00 C ATOM 779 C THR A 46 -5.307 -13.717 -3.396 1.00 0.00 C ATOM 780 O THR A 46 -6.068 -14.603 -3.061 1.00 0.00 O ATOM 781 CB THR A 46 -6.044 -13.583 -5.789 1.00 0.00 C ATOM 782 OG1 THR A 46 -5.672 -12.868 -6.960 1.00 0.00 O ATOM 783 CG2 THR A 46 -7.555 -13.809 -5.787 1.00 0.00 C ATOM 0 H THR A 46 -4.601 -10.943 -4.905 1.00 0.00 H new ATOM 0 HA THR A 46 -6.473 -12.125 -4.266 1.00 0.00 H new ATOM 0 HB THR A 46 -5.536 -14.547 -5.772 1.00 0.00 H new ATOM 0 HG1 THR A 46 -5.908 -11.923 -6.855 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.838 -14.386 -6.667 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.840 -14.355 -4.888 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.067 -12.847 -5.805 1.00 0.00 H new ATOM 791 N ARG A 47 -4.165 -13.534 -2.786 1.00 0.00 N ATOM 792 CA ARG A 47 -3.766 -14.416 -1.653 1.00 0.00 C ATOM 793 C ARG A 47 -4.430 -13.920 -0.365 1.00 0.00 C ATOM 794 O ARG A 47 -5.390 -13.176 -0.399 1.00 0.00 O ATOM 795 CB ARG A 47 -2.238 -14.383 -1.501 1.00 0.00 C ATOM 796 CG ARG A 47 -1.711 -12.972 -1.792 1.00 0.00 C ATOM 797 CD ARG A 47 -0.465 -12.703 -0.943 1.00 0.00 C ATOM 798 NE ARG A 47 0.156 -11.415 -1.360 1.00 0.00 N ATOM 799 CZ ARG A 47 -0.426 -10.285 -1.068 1.00 0.00 C ATOM 800 NH1 ARG A 47 -1.556 -10.283 -0.415 1.00 0.00 N ATOM 801 NH2 ARG A 47 0.121 -9.156 -1.427 1.00 0.00 N ATOM 0 H ARG A 47 -3.490 -12.808 -3.026 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.087 -15.439 -1.849 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.958 -14.683 -0.491 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -1.781 -15.099 -2.184 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.470 -12.874 -2.851 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.481 -12.233 -1.571 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.734 -12.664 0.113 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.250 -13.518 -1.060 1.00 0.00 H new ATOM 0 HE ARG A 47 1.037 -11.417 -1.874 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.984 -11.165 -0.133 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.011 -9.399 -0.186 1.00 0.00 H new ATOM 0 HH21 ARG A 47 1.005 -9.157 -1.937 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -0.335 -8.273 -1.198 1.00 0.00 H new ATOM 815 N GLU A 48 -3.931 -14.332 0.768 1.00 0.00 N ATOM 816 CA GLU A 48 -4.533 -13.889 2.059 1.00 0.00 C ATOM 817 C GLU A 48 -6.027 -14.225 2.067 1.00 0.00 C ATOM 818 O GLU A 48 -6.581 -14.654 1.075 1.00 0.00 O ATOM 819 CB GLU A 48 -4.345 -12.377 2.225 1.00 0.00 C ATOM 820 CG GLU A 48 -2.930 -12.089 2.736 1.00 0.00 C ATOM 821 CD GLU A 48 -2.599 -10.609 2.523 1.00 0.00 C ATOM 822 OE1 GLU A 48 -3.361 -9.942 1.844 1.00 0.00 O ATOM 823 OE2 GLU A 48 -1.586 -10.170 3.044 1.00 0.00 O ATOM 0 H GLU A 48 -3.130 -14.958 0.856 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.040 -14.404 2.883 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.508 -11.873 1.272 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.082 -11.983 2.924 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -2.856 -12.340 3.794 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.208 -12.713 2.209 1.00 0.00 H new ATOM 830 N ALA A 49 -6.681 -14.036 3.183 1.00 0.00 N ATOM 831 CA ALA A 49 -8.139 -14.345 3.260 1.00 0.00 C ATOM 832 C ALA A 49 -8.836 -13.303 4.140 1.00 0.00 C ATOM 833 O ALA A 49 -9.591 -13.635 5.032 1.00 0.00 O ATOM 834 CB ALA A 49 -8.332 -15.736 3.867 1.00 0.00 C ATOM 0 H ALA A 49 -6.268 -13.681 4.045 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.570 -14.321 2.259 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -9.396 -15.964 3.924 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.835 -16.478 3.242 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.902 -15.759 4.868 1.00 0.00 H new ATOM 840 N GLY A 50 -8.595 -12.046 3.889 1.00 0.00 N ATOM 841 CA GLY A 50 -9.246 -10.981 4.704 1.00 0.00 C ATOM 842 C GLY A 50 -9.365 -9.707 3.866 1.00 0.00 C ATOM 843 O GLY A 50 -8.383 -9.172 3.391 1.00 0.00 O ATOM 0 H GLY A 50 -7.974 -11.709 3.153 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.233 -11.309 5.031 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.661 -10.786 5.603 1.00 0.00 H new ATOM 847 N VAL A 51 -10.560 -9.221 3.675 1.00 0.00 N ATOM 848 CA VAL A 51 -10.741 -7.987 2.861 1.00 0.00 C ATOM 849 C VAL A 51 -9.906 -6.851 3.452 1.00 0.00 C ATOM 850 O VAL A 51 -9.244 -6.122 2.740 1.00 0.00 O ATOM 851 CB VAL A 51 -12.216 -7.585 2.865 1.00 0.00 C ATOM 852 CG1 VAL A 51 -13.058 -8.729 2.298 1.00 0.00 C ATOM 853 CG2 VAL A 51 -12.662 -7.289 4.300 1.00 0.00 C ATOM 0 H VAL A 51 -11.419 -9.625 4.048 1.00 0.00 H new ATOM 0 HA VAL A 51 -10.416 -8.181 1.839 1.00 0.00 H new ATOM 0 HB VAL A 51 -12.350 -6.694 2.251 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -14.110 -8.443 2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -12.742 -8.941 1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -12.923 -9.619 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -13.714 -7.002 4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -12.527 -8.180 4.914 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -12.063 -6.474 4.706 1.00 0.00 H new ATOM 863 N ARG A 52 -9.931 -6.692 4.746 1.00 0.00 N ATOM 864 CA ARG A 52 -9.134 -5.598 5.372 1.00 0.00 C ATOM 865 C ARG A 52 -7.721 -5.601 4.789 1.00 0.00 C ATOM 866 O ARG A 52 -7.154 -4.565 4.505 1.00 0.00 O ATOM 867 CB ARG A 52 -9.061 -5.810 6.884 1.00 0.00 C ATOM 868 CG ARG A 52 -8.540 -4.533 7.548 1.00 0.00 C ATOM 869 CD ARG A 52 -8.079 -4.851 8.971 1.00 0.00 C ATOM 870 NE ARG A 52 -9.234 -5.356 9.764 1.00 0.00 N ATOM 871 CZ ARG A 52 -9.084 -5.633 11.030 1.00 0.00 C ATOM 872 NH1 ARG A 52 -7.923 -5.467 11.601 1.00 0.00 N ATOM 873 NH2 ARG A 52 -10.096 -6.075 11.725 1.00 0.00 N ATOM 0 H ARG A 52 -10.466 -7.269 5.395 1.00 0.00 H new ATOM 0 HA ARG A 52 -9.613 -4.641 5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -10.047 -6.061 7.276 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.403 -6.648 7.114 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.713 -4.121 6.970 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -9.323 -3.775 7.569 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.285 -5.597 8.950 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.665 -3.958 9.439 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.142 -5.485 9.318 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.132 -5.121 11.058 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.806 -5.684 12.591 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.004 -6.204 11.278 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.979 -6.292 12.715 1.00 0.00 H new ATOM 887 N SER A 53 -7.150 -6.760 4.604 1.00 0.00 N ATOM 888 CA SER A 53 -5.777 -6.825 4.033 1.00 0.00 C ATOM 889 C SER A 53 -5.809 -6.325 2.593 1.00 0.00 C ATOM 890 O SER A 53 -5.011 -5.501 2.192 1.00 0.00 O ATOM 891 CB SER A 53 -5.277 -8.267 4.057 1.00 0.00 C ATOM 892 OG SER A 53 -5.516 -8.830 5.341 1.00 0.00 O ATOM 0 H SER A 53 -7.574 -7.661 4.823 1.00 0.00 H new ATOM 0 HA SER A 53 -5.107 -6.202 4.626 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.786 -8.852 3.291 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.212 -8.298 3.827 1.00 0.00 H new ATOM 0 HG SER A 53 -5.197 -9.756 5.357 1.00 0.00 H new ATOM 898 N LEU A 54 -6.733 -6.809 1.810 1.00 0.00 N ATOM 899 CA LEU A 54 -6.820 -6.351 0.397 1.00 0.00 C ATOM 900 C LEU A 54 -6.817 -4.823 0.385 1.00 0.00 C ATOM 901 O LEU A 54 -5.997 -4.194 -0.256 1.00 0.00 O ATOM 902 CB LEU A 54 -8.117 -6.871 -0.237 1.00 0.00 C ATOM 903 CG LEU A 54 -7.886 -8.269 -0.820 1.00 0.00 C ATOM 904 CD1 LEU A 54 -7.516 -9.240 0.302 1.00 0.00 C ATOM 905 CD2 LEU A 54 -9.167 -8.751 -1.506 1.00 0.00 C ATOM 0 H LEU A 54 -7.430 -7.500 2.088 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.973 -6.732 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.910 -6.905 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -8.448 -6.190 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.074 -8.228 -1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.352 -10.233 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.605 -8.898 0.793 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.327 -9.281 1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -9.005 -9.746 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -9.977 -8.790 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -9.432 -8.062 -2.308 1.00 0.00 H new ATOM 917 N GLU A 55 -7.721 -4.221 1.106 1.00 0.00 N ATOM 918 CA GLU A 55 -7.768 -2.735 1.157 1.00 0.00 C ATOM 919 C GLU A 55 -6.395 -2.208 1.576 1.00 0.00 C ATOM 920 O GLU A 55 -5.925 -1.207 1.075 1.00 0.00 O ATOM 921 CB GLU A 55 -8.820 -2.290 2.178 1.00 0.00 C ATOM 922 CG GLU A 55 -10.214 -2.363 1.549 1.00 0.00 C ATOM 923 CD GLU A 55 -10.455 -3.770 0.998 1.00 0.00 C ATOM 924 OE1 GLU A 55 -10.800 -4.640 1.780 1.00 0.00 O ATOM 925 OE2 GLU A 55 -10.293 -3.951 -0.198 1.00 0.00 O ATOM 0 H GLU A 55 -8.431 -4.696 1.663 1.00 0.00 H new ATOM 0 HA GLU A 55 -8.031 -2.341 0.175 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.775 -2.927 3.061 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.612 -1.272 2.508 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.973 -2.118 2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -10.302 -1.628 0.749 1.00 0.00 H new ATOM 932 N ARG A 56 -5.747 -2.871 2.496 1.00 0.00 N ATOM 933 CA ARG A 56 -4.407 -2.402 2.946 1.00 0.00 C ATOM 934 C ARG A 56 -3.421 -2.466 1.776 1.00 0.00 C ATOM 935 O ARG A 56 -2.584 -1.603 1.612 1.00 0.00 O ATOM 936 CB ARG A 56 -3.915 -3.295 4.092 1.00 0.00 C ATOM 937 CG ARG A 56 -3.004 -2.492 5.029 1.00 0.00 C ATOM 938 CD ARG A 56 -1.758 -2.022 4.270 1.00 0.00 C ATOM 939 NE ARG A 56 -0.623 -1.878 5.224 1.00 0.00 N ATOM 940 CZ ARG A 56 -0.088 -2.938 5.765 1.00 0.00 C ATOM 941 NH1 ARG A 56 -0.552 -4.122 5.473 1.00 0.00 N ATOM 942 NH2 ARG A 56 0.909 -2.814 6.598 1.00 0.00 N ATOM 0 H ARG A 56 -6.088 -3.716 2.954 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.478 -1.372 3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.766 -3.689 4.648 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.373 -4.151 3.690 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.544 -1.633 5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.711 -3.106 5.880 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.503 -2.738 3.489 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.956 -1.070 3.777 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.264 -0.951 5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.332 -4.218 4.823 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -0.135 -4.952 5.895 1.00 0.00 H new ATOM 0 HH21 ARG A 56 1.270 -1.888 6.827 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.327 -3.643 7.021 1.00 0.00 H new ATOM 956 N GLN A 57 -3.505 -3.485 0.967 1.00 0.00 N ATOM 957 CA GLN A 57 -2.563 -3.604 -0.184 1.00 0.00 C ATOM 958 C GLN A 57 -2.796 -2.457 -1.171 1.00 0.00 C ATOM 959 O GLN A 57 -1.866 -1.820 -1.625 1.00 0.00 O ATOM 960 CB GLN A 57 -2.793 -4.938 -0.895 1.00 0.00 C ATOM 961 CG GLN A 57 -2.347 -6.087 0.012 1.00 0.00 C ATOM 962 CD GLN A 57 -0.824 -6.072 0.144 1.00 0.00 C ATOM 963 OE1 GLN A 57 -0.126 -6.640 -0.672 1.00 0.00 O ATOM 964 NE2 GLN A 57 -0.275 -5.440 1.145 1.00 0.00 N ATOM 0 H GLN A 57 -4.184 -4.241 1.052 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.539 -3.556 0.187 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -3.847 -5.050 -1.148 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -2.236 -4.963 -1.831 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.809 -5.989 0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.677 -7.040 -0.402 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.861 -4.963 1.830 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.740 -5.423 1.242 1.00 0.00 H new ATOM 973 N LEU A 58 -4.026 -2.189 -1.512 1.00 0.00 N ATOM 974 CA LEU A 58 -4.307 -1.086 -2.474 1.00 0.00 C ATOM 975 C LEU A 58 -4.016 0.252 -1.800 1.00 0.00 C ATOM 976 O LEU A 58 -3.472 1.159 -2.396 1.00 0.00 O ATOM 977 CB LEU A 58 -5.774 -1.142 -2.905 1.00 0.00 C ATOM 978 CG LEU A 58 -6.150 -2.590 -3.215 1.00 0.00 C ATOM 979 CD1 LEU A 58 -7.628 -2.667 -3.603 1.00 0.00 C ATOM 980 CD2 LEU A 58 -5.289 -3.103 -4.375 1.00 0.00 C ATOM 0 H LEU A 58 -4.848 -2.685 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.674 -1.195 -3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.413 -0.749 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.932 -0.516 -3.784 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.977 -3.205 -2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.893 -3.701 -3.823 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.240 -2.304 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.805 -2.051 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.556 -4.136 -4.597 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.461 -2.486 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.236 -3.052 -4.097 1.00 0.00 H new ATOM 992 N ALA A 59 -4.361 0.379 -0.554 1.00 0.00 N ATOM 993 CA ALA A 59 -4.084 1.649 0.161 1.00 0.00 C ATOM 994 C ALA A 59 -2.570 1.842 0.225 1.00 0.00 C ATOM 995 O ALA A 59 -2.063 2.941 0.112 1.00 0.00 O ATOM 996 CB ALA A 59 -4.655 1.576 1.579 1.00 0.00 C ATOM 0 H ALA A 59 -4.823 -0.342 0.000 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.548 2.485 -0.362 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.450 2.510 2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.732 1.416 1.530 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.190 0.750 2.116 1.00 0.00 H new ATOM 1002 N ALA A 60 -1.848 0.769 0.415 1.00 0.00 N ATOM 1003 CA ALA A 60 -0.363 0.866 0.501 1.00 0.00 C ATOM 1004 C ALA A 60 0.221 1.319 -0.840 1.00 0.00 C ATOM 1005 O ALA A 60 0.950 2.287 -0.907 1.00 0.00 O ATOM 1006 CB ALA A 60 0.211 -0.505 0.867 1.00 0.00 C ATOM 0 H ALA A 60 -2.225 -0.173 0.515 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.099 1.597 1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.297 -0.439 0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.191 -0.823 1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.064 -1.231 0.102 1.00 0.00 H new ATOM 1012 N ILE A 61 -0.078 0.629 -1.907 1.00 0.00 N ATOM 1013 CA ILE A 61 0.482 1.033 -3.230 1.00 0.00 C ATOM 1014 C ILE A 61 -0.039 2.423 -3.608 1.00 0.00 C ATOM 1015 O ILE A 61 0.700 3.271 -4.076 1.00 0.00 O ATOM 1016 CB ILE A 61 0.068 0.012 -4.300 1.00 0.00 C ATOM 1017 CG1 ILE A 61 0.967 0.168 -5.531 1.00 0.00 C ATOM 1018 CG2 ILE A 61 -1.392 0.239 -4.702 1.00 0.00 C ATOM 1019 CD1 ILE A 61 0.362 -0.590 -6.719 1.00 0.00 C ATOM 0 H ILE A 61 -0.682 -0.193 -1.921 1.00 0.00 H new ATOM 0 HA ILE A 61 1.570 1.064 -3.167 1.00 0.00 H new ATOM 0 HB ILE A 61 0.175 -0.994 -3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.077 1.223 -5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.964 -0.214 -5.314 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.678 -0.489 -5.461 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.032 0.122 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.506 1.246 -5.104 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.006 -0.475 -7.590 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.275 -1.647 -6.470 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.626 -0.187 -6.942 1.00 0.00 H new ATOM 1031 N CYS A 62 -1.305 2.661 -3.413 1.00 0.00 N ATOM 1032 CA CYS A 62 -1.885 3.987 -3.766 1.00 0.00 C ATOM 1033 C CYS A 62 -1.099 5.107 -3.078 1.00 0.00 C ATOM 1034 O CYS A 62 -0.463 5.917 -3.723 1.00 0.00 O ATOM 1035 CB CYS A 62 -3.344 4.038 -3.309 1.00 0.00 C ATOM 1036 SG CYS A 62 -4.332 2.908 -4.320 1.00 0.00 S ATOM 0 H CYS A 62 -1.967 1.991 -3.022 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.829 4.125 -4.846 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -3.417 3.761 -2.257 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.729 5.054 -3.398 1.00 0.00 H new ATOM 0 HG CYS A 62 -4.289 1.715 -3.805 1.00 0.00 H new ATOM 1042 N ARG A 63 -1.145 5.173 -1.776 1.00 0.00 N ATOM 1043 CA ARG A 63 -0.407 6.257 -1.071 1.00 0.00 C ATOM 1044 C ARG A 63 1.088 6.135 -1.351 1.00 0.00 C ATOM 1045 O ARG A 63 1.747 7.112 -1.645 1.00 0.00 O ATOM 1046 CB ARG A 63 -0.662 6.167 0.428 1.00 0.00 C ATOM 1047 CG ARG A 63 0.043 4.936 1.004 1.00 0.00 C ATOM 1048 CD ARG A 63 -0.570 4.585 2.361 1.00 0.00 C ATOM 1049 NE ARG A 63 -0.361 5.719 3.306 1.00 0.00 N ATOM 1050 CZ ARG A 63 0.786 5.858 3.913 1.00 0.00 C ATOM 1051 NH1 ARG A 63 1.745 5.002 3.698 1.00 0.00 N ATOM 1052 NH2 ARG A 63 0.972 6.856 4.733 1.00 0.00 N ATOM 0 H ARG A 63 -1.658 4.528 -1.174 1.00 0.00 H new ATOM 0 HA ARG A 63 -0.759 7.222 -1.435 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.300 7.069 0.922 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.733 6.107 0.620 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -0.056 4.094 0.319 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.109 5.133 1.115 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.635 4.381 2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.112 3.678 2.756 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.114 6.386 3.478 1.00 0.00 H new ATOM 0 HH11 ARG A 63 1.599 4.223 3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.641 5.111 4.172 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.221 7.526 4.899 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.868 6.966 5.208 1.00 0.00 H new ATOM 1066 N LYS A 64 1.635 4.947 -1.278 1.00 0.00 N ATOM 1067 CA LYS A 64 3.089 4.790 -1.566 1.00 0.00 C ATOM 1068 C LYS A 64 3.404 5.641 -2.790 1.00 0.00 C ATOM 1069 O LYS A 64 4.421 6.298 -2.871 1.00 0.00 O ATOM 1070 CB LYS A 64 3.409 3.320 -1.854 1.00 0.00 C ATOM 1071 CG LYS A 64 4.875 3.177 -2.277 1.00 0.00 C ATOM 1072 CD LYS A 64 5.789 3.730 -1.177 1.00 0.00 C ATOM 1073 CE LYS A 64 7.162 3.061 -1.260 1.00 0.00 C ATOM 1074 NZ LYS A 64 7.020 1.598 -1.009 1.00 0.00 N ATOM 0 H LYS A 64 1.141 4.088 -1.034 1.00 0.00 H new ATOM 0 HA LYS A 64 3.688 5.107 -0.712 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.217 2.717 -0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.756 2.945 -2.642 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.109 2.129 -2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.048 3.713 -3.210 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.893 4.810 -1.286 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.345 3.550 -0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.602 3.231 -2.243 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.838 3.502 -0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.877 1.242 -0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.195 1.429 -0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.889 1.102 -1.913 1.00 0.00 H new ATOM 1088 N ALA A 65 2.505 5.645 -3.734 1.00 0.00 N ATOM 1089 CA ALA A 65 2.699 6.467 -4.953 1.00 0.00 C ATOM 1090 C ALA A 65 2.464 7.936 -4.596 1.00 0.00 C ATOM 1091 O ALA A 65 3.150 8.818 -5.074 1.00 0.00 O ATOM 1092 CB ALA A 65 1.697 6.037 -6.026 1.00 0.00 C ATOM 0 H ALA A 65 1.638 5.108 -3.710 1.00 0.00 H new ATOM 0 HA ALA A 65 3.711 6.333 -5.334 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.841 6.642 -6.921 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.853 4.986 -6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.682 6.176 -5.653 1.00 0.00 H new ATOM 1098 N ALA A 66 1.495 8.210 -3.756 1.00 0.00 N ATOM 1099 CA ALA A 66 1.223 9.626 -3.378 1.00 0.00 C ATOM 1100 C ALA A 66 2.448 10.219 -2.677 1.00 0.00 C ATOM 1101 O ALA A 66 3.067 11.143 -3.166 1.00 0.00 O ATOM 1102 CB ALA A 66 0.020 9.680 -2.435 1.00 0.00 C ATOM 0 H ALA A 66 0.886 7.517 -3.320 1.00 0.00 H new ATOM 0 HA ALA A 66 1.008 10.204 -4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.179 10.715 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.854 9.264 -2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.235 9.100 -1.538 1.00 0.00 H new ATOM 1108 N LYS A 67 2.802 9.697 -1.534 1.00 0.00 N ATOM 1109 CA LYS A 67 3.985 10.236 -0.804 1.00 0.00 C ATOM 1110 C LYS A 67 5.204 10.230 -1.727 1.00 0.00 C ATOM 1111 O LYS A 67 6.003 11.146 -1.723 1.00 0.00 O ATOM 1112 CB LYS A 67 4.268 9.367 0.425 1.00 0.00 C ATOM 1113 CG LYS A 67 3.034 9.341 1.339 1.00 0.00 C ATOM 1114 CD LYS A 67 3.065 10.543 2.288 1.00 0.00 C ATOM 1115 CE LYS A 67 1.763 10.590 3.090 1.00 0.00 C ATOM 1116 NZ LYS A 67 1.914 11.540 4.228 1.00 0.00 N ATOM 0 H LYS A 67 2.324 8.922 -1.075 1.00 0.00 H new ATOM 0 HA LYS A 67 3.778 11.258 -0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.523 8.354 0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.127 9.759 0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.125 9.364 0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.014 8.414 1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.918 10.466 2.962 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.189 11.465 1.721 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.939 10.903 2.448 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.517 9.596 3.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.029 11.572 4.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.689 11.223 4.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.129 12.489 3.862 1.00 0.00 H new ATOM 1130 N ALA A 68 5.356 9.203 -2.515 1.00 0.00 N ATOM 1131 CA ALA A 68 6.526 9.139 -3.437 1.00 0.00 C ATOM 1132 C ALA A 68 6.533 10.372 -4.343 1.00 0.00 C ATOM 1133 O ALA A 68 7.451 10.582 -5.112 1.00 0.00 O ATOM 1134 CB ALA A 68 6.429 7.875 -4.296 1.00 0.00 C ATOM 0 H ALA A 68 4.722 8.405 -2.561 1.00 0.00 H new ATOM 0 HA ALA A 68 7.446 9.114 -2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.284 7.827 -4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.426 6.996 -3.651 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.508 7.901 -4.879 1.00 0.00 H new ATOM 1140 N ILE A 69 5.519 11.188 -4.261 1.00 0.00 N ATOM 1141 CA ILE A 69 5.472 12.405 -5.120 1.00 0.00 C ATOM 1142 C ILE A 69 6.394 13.479 -4.534 1.00 0.00 C ATOM 1143 O ILE A 69 6.192 14.660 -4.730 1.00 0.00 O ATOM 1144 CB ILE A 69 4.029 12.927 -5.185 1.00 0.00 C ATOM 1145 CG1 ILE A 69 3.875 13.878 -6.385 1.00 0.00 C ATOM 1146 CG2 ILE A 69 3.685 13.673 -3.886 1.00 0.00 C ATOM 1147 CD1 ILE A 69 3.527 13.076 -7.644 1.00 0.00 C ATOM 0 H ILE A 69 4.721 11.065 -3.637 1.00 0.00 H new ATOM 0 HA ILE A 69 5.808 12.159 -6.127 1.00 0.00 H new ATOM 0 HB ILE A 69 3.349 12.084 -5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.094 14.610 -6.182 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.800 14.434 -6.541 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.660 14.041 -3.938 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.784 12.994 -3.039 1.00 0.00 H new ATOM 0 HG23 ILE A 69 4.366 14.514 -3.758 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.419 13.755 -8.490 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.323 12.361 -7.852 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.591 12.541 -7.487 1.00 0.00 H new ATOM 1239 N LYS A 75 1.570 16.340 -11.917 1.00 0.00 N ATOM 1240 CA LYS A 75 0.412 16.255 -10.982 1.00 0.00 C ATOM 1241 C LYS A 75 -0.440 15.038 -11.347 1.00 0.00 C ATOM 1242 O LYS A 75 -0.322 14.492 -12.425 1.00 0.00 O ATOM 1243 CB LYS A 75 -0.440 17.523 -11.098 1.00 0.00 C ATOM 1244 CG LYS A 75 0.460 18.769 -11.033 1.00 0.00 C ATOM 1245 CD LYS A 75 0.626 19.369 -12.434 1.00 0.00 C ATOM 1246 CE LYS A 75 1.401 20.686 -12.340 1.00 0.00 C ATOM 1247 NZ LYS A 75 1.180 21.482 -13.581 1.00 0.00 N ATOM 0 HA LYS A 75 0.777 16.158 -9.960 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.995 17.514 -12.036 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.175 17.552 -10.293 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.024 19.508 -10.361 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.435 18.503 -10.624 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.156 18.669 -13.080 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.351 19.542 -12.885 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.072 21.252 -11.469 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.464 20.486 -12.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.706 22.377 -13.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.514 20.941 -14.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.165 21.684 -13.688 1.00 0.00 H new ATOM 1261 N ARG A 76 -1.298 14.609 -10.459 1.00 0.00 N ATOM 1262 CA ARG A 76 -2.158 13.428 -10.757 1.00 0.00 C ATOM 1263 C ARG A 76 -1.274 12.234 -11.132 1.00 0.00 C ATOM 1264 O ARG A 76 -0.635 12.223 -12.165 1.00 0.00 O ATOM 1265 CB ARG A 76 -3.099 13.763 -11.921 1.00 0.00 C ATOM 1266 CG ARG A 76 -3.945 14.997 -11.566 1.00 0.00 C ATOM 1267 CD ARG A 76 -4.120 15.882 -12.805 1.00 0.00 C ATOM 1268 NE ARG A 76 -4.641 15.061 -13.933 1.00 0.00 N ATOM 1269 CZ ARG A 76 -4.490 15.472 -15.163 1.00 0.00 C ATOM 1270 NH1 ARG A 76 -3.876 16.598 -15.403 1.00 0.00 N ATOM 1271 NH2 ARG A 76 -4.952 14.757 -16.151 1.00 0.00 N ATOM 0 H ARG A 76 -1.440 15.027 -9.539 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.749 13.175 -9.877 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -2.521 13.955 -12.825 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -3.749 12.913 -12.132 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.920 14.685 -11.190 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.462 15.563 -10.769 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.809 16.699 -12.587 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.167 16.334 -13.080 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.116 14.178 -13.745 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.514 17.157 -14.630 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.758 16.920 -16.364 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.431 13.877 -15.963 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.834 15.078 -17.112 1.00 0.00 H new ATOM 1285 N ILE A 77 -1.226 11.229 -10.297 1.00 0.00 N ATOM 1286 CA ILE A 77 -0.374 10.044 -10.611 1.00 0.00 C ATOM 1287 C ILE A 77 -1.199 8.987 -11.344 1.00 0.00 C ATOM 1288 O ILE A 77 -2.215 8.527 -10.858 1.00 0.00 O ATOM 1289 CB ILE A 77 0.175 9.444 -9.316 1.00 0.00 C ATOM 1290 CG1 ILE A 77 0.902 10.531 -8.519 1.00 0.00 C ATOM 1291 CG2 ILE A 77 1.152 8.319 -9.657 1.00 0.00 C ATOM 1292 CD1 ILE A 77 1.401 9.952 -7.194 1.00 0.00 C ATOM 0 H ILE A 77 -1.737 11.177 -9.416 1.00 0.00 H new ATOM 0 HA ILE A 77 0.452 10.363 -11.246 1.00 0.00 H new ATOM 0 HB ILE A 77 -0.645 9.046 -8.719 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.741 10.919 -9.096 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.230 11.368 -8.331 1.00 0.00 H new ATOM 0 HG21 ILE A 77 1.546 7.888 -8.737 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.634 7.547 -10.226 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.974 8.718 -10.252 1.00 0.00 H new ATOM 0 HD11 ILE A 77 1.918 10.728 -6.629 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.553 9.586 -6.615 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.088 9.129 -7.392 1.00 0.00 H new ATOM 1304 N THR A 78 -0.763 8.591 -12.510 1.00 0.00 N ATOM 1305 CA THR A 78 -1.511 7.557 -13.276 1.00 0.00 C ATOM 1306 C THR A 78 -1.021 6.170 -12.859 1.00 0.00 C ATOM 1307 O THR A 78 0.165 5.935 -12.738 1.00 0.00 O ATOM 1308 CB THR A 78 -1.266 7.756 -14.774 1.00 0.00 C ATOM 1309 OG1 THR A 78 -1.458 9.124 -15.107 1.00 0.00 O ATOM 1310 CG2 THR A 78 -2.243 6.893 -15.573 1.00 0.00 C ATOM 0 H THR A 78 0.081 8.941 -12.964 1.00 0.00 H new ATOM 0 HA THR A 78 -2.577 7.646 -13.069 1.00 0.00 H new ATOM 0 HB THR A 78 -0.245 7.463 -15.016 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.300 9.253 -16.066 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.067 7.036 -16.639 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.094 5.844 -15.318 1.00 0.00 H new ATOM 0 HG23 THR A 78 -3.266 7.183 -15.332 1.00 0.00 H new ATOM 1318 N VAL A 79 -1.922 5.249 -12.634 1.00 0.00 N ATOM 1319 CA VAL A 79 -1.504 3.874 -12.218 1.00 0.00 C ATOM 1320 C VAL A 79 -1.936 2.856 -13.277 1.00 0.00 C ATOM 1321 O VAL A 79 -3.027 2.322 -13.228 1.00 0.00 O ATOM 1322 CB VAL A 79 -2.160 3.524 -10.881 1.00 0.00 C ATOM 1323 CG1 VAL A 79 -1.624 2.180 -10.384 1.00 0.00 C ATOM 1324 CG2 VAL A 79 -1.836 4.610 -9.854 1.00 0.00 C ATOM 0 H VAL A 79 -2.929 5.388 -12.720 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.419 3.846 -12.113 1.00 0.00 H new ATOM 0 HB VAL A 79 -3.240 3.458 -11.014 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.092 1.931 -9.431 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.854 1.404 -11.114 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.544 2.245 -10.252 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -2.303 4.361 -8.901 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.756 4.676 -9.722 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.217 5.569 -10.206 1.00 0.00 H new ATOM 1334 N THR A 80 -1.086 2.578 -14.229 1.00 0.00 N ATOM 1335 CA THR A 80 -1.443 1.588 -15.284 1.00 0.00 C ATOM 1336 C THR A 80 -1.023 0.190 -14.823 1.00 0.00 C ATOM 1337 O THR A 80 -0.567 0.008 -13.713 1.00 0.00 O ATOM 1338 CB THR A 80 -0.713 1.939 -16.584 1.00 0.00 C ATOM 1339 OG1 THR A 80 0.640 1.518 -16.492 1.00 0.00 O ATOM 1340 CG2 THR A 80 -0.766 3.451 -16.809 1.00 0.00 C ATOM 0 H THR A 80 -0.159 2.994 -14.321 1.00 0.00 H new ATOM 0 HA THR A 80 -2.519 1.609 -15.458 1.00 0.00 H new ATOM 0 HB THR A 80 -1.195 1.434 -17.421 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.109 1.740 -17.323 1.00 0.00 H new ATOM 0 HG21 THR A 80 -0.246 3.700 -17.734 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.805 3.772 -16.879 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.284 3.960 -15.974 1.00 0.00 H new ATOM 1348 N GLU A 81 -1.171 -0.799 -15.663 1.00 0.00 N ATOM 1349 CA GLU A 81 -0.776 -2.179 -15.258 1.00 0.00 C ATOM 1350 C GLU A 81 0.747 -2.266 -15.146 1.00 0.00 C ATOM 1351 O GLU A 81 1.280 -3.091 -14.430 1.00 0.00 O ATOM 1352 CB GLU A 81 -1.272 -3.187 -16.300 1.00 0.00 C ATOM 1353 CG GLU A 81 -0.924 -2.694 -17.710 1.00 0.00 C ATOM 1354 CD GLU A 81 -2.000 -1.720 -18.197 1.00 0.00 C ATOM 1355 OE1 GLU A 81 -2.814 -1.313 -17.384 1.00 0.00 O ATOM 1356 OE2 GLU A 81 -1.990 -1.399 -19.373 1.00 0.00 O ATOM 0 H GLU A 81 -1.546 -0.712 -16.607 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.224 -2.411 -14.292 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.815 -4.161 -16.123 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -2.350 -3.319 -16.207 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.049 -2.203 -17.704 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.850 -3.540 -18.393 1.00 0.00 H new ATOM 1363 N LYS A 82 1.456 -1.420 -15.845 1.00 0.00 N ATOM 1364 CA LYS A 82 2.945 -1.456 -15.775 1.00 0.00 C ATOM 1365 C LYS A 82 3.417 -0.585 -14.610 1.00 0.00 C ATOM 1366 O LYS A 82 4.481 -0.790 -14.059 1.00 0.00 O ATOM 1367 CB LYS A 82 3.531 -0.922 -17.083 1.00 0.00 C ATOM 1368 CG LYS A 82 5.058 -1.017 -17.038 1.00 0.00 C ATOM 1369 CD LYS A 82 5.627 -0.722 -18.431 1.00 0.00 C ATOM 1370 CE LYS A 82 7.157 -0.635 -18.362 1.00 0.00 C ATOM 1371 NZ LYS A 82 7.582 0.779 -18.569 1.00 0.00 N ATOM 0 H LYS A 82 1.068 -0.706 -16.461 1.00 0.00 H new ATOM 0 HA LYS A 82 3.279 -2.482 -15.622 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.146 -1.495 -17.927 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.225 0.113 -17.234 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.456 -0.308 -16.312 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.362 -2.012 -16.712 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.330 -1.505 -19.128 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.217 0.214 -18.810 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.510 -0.995 -17.395 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.603 -1.276 -19.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.619 0.840 -18.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.257 1.106 -19.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.166 1.378 -17.828 1.00 0.00 H new ATOM 1385 N ASN A 83 2.631 0.382 -14.228 1.00 0.00 N ATOM 1386 CA ASN A 83 3.026 1.263 -13.095 1.00 0.00 C ATOM 1387 C ASN A 83 3.029 0.445 -11.803 1.00 0.00 C ATOM 1388 O ASN A 83 3.878 0.610 -10.950 1.00 0.00 O ATOM 1389 CB ASN A 83 2.032 2.423 -12.976 1.00 0.00 C ATOM 1390 CG ASN A 83 2.704 3.606 -12.274 1.00 0.00 C ATOM 1391 OD1 ASN A 83 3.663 3.381 -11.418 1.00 0.00 O flip ATOM 1392 ND2 ASN A 83 2.352 4.745 -12.507 1.00 0.00 N flip ATOM 0 H ASN A 83 1.730 0.601 -14.653 1.00 0.00 H new ATOM 0 HA ASN A 83 4.023 1.667 -13.271 1.00 0.00 H new ATOM 0 HB2 ASN A 83 1.687 2.723 -13.966 1.00 0.00 H new ATOM 0 HB3 ASN A 83 1.153 2.106 -12.415 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.602 4.920 -13.176 1.00 0.00 H new ATOM 0 HD22 ASN A 83 2.806 5.526 -12.034 1.00 0.00 H new ATOM 1399 N LEU A 84 2.079 -0.439 -11.655 1.00 0.00 N ATOM 1400 CA LEU A 84 2.016 -1.277 -10.423 1.00 0.00 C ATOM 1401 C LEU A 84 3.429 -1.733 -10.045 1.00 0.00 C ATOM 1402 O LEU A 84 4.004 -1.264 -9.084 1.00 0.00 O ATOM 1403 CB LEU A 84 1.130 -2.504 -10.688 1.00 0.00 C ATOM 1404 CG LEU A 84 -0.274 -2.274 -10.117 1.00 0.00 C ATOM 1405 CD1 LEU A 84 -0.815 -0.912 -10.579 1.00 0.00 C ATOM 1406 CD2 LEU A 84 -1.204 -3.389 -10.607 1.00 0.00 C ATOM 0 H LEU A 84 1.342 -0.617 -12.337 1.00 0.00 H new ATOM 0 HA LEU A 84 1.593 -0.695 -9.604 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.069 -2.693 -11.760 1.00 0.00 H new ATOM 0 HB3 LEU A 84 1.575 -3.389 -10.233 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.227 -2.284 -9.028 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.813 -0.758 -10.168 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.153 -0.120 -10.230 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.864 -0.890 -11.668 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.205 -3.231 -10.204 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.245 -3.376 -11.696 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.825 -4.354 -10.269 1.00 0.00 H new ATOM 1418 N GLN A 85 3.991 -2.641 -10.800 1.00 0.00 N ATOM 1419 CA GLN A 85 5.367 -3.130 -10.491 1.00 0.00 C ATOM 1420 C GLN A 85 6.249 -1.952 -10.068 1.00 0.00 C ATOM 1421 O GLN A 85 7.059 -2.061 -9.169 1.00 0.00 O ATOM 1422 CB GLN A 85 5.965 -3.790 -11.736 1.00 0.00 C ATOM 1423 CG GLN A 85 5.128 -5.012 -12.119 1.00 0.00 C ATOM 1424 CD GLN A 85 5.555 -5.513 -13.500 1.00 0.00 C ATOM 1425 OE1 GLN A 85 6.695 -5.883 -13.700 1.00 0.00 O ATOM 1426 NE2 GLN A 85 4.682 -5.541 -14.469 1.00 0.00 N ATOM 0 H GLN A 85 3.555 -3.066 -11.619 1.00 0.00 H new ATOM 0 HA GLN A 85 5.318 -3.856 -9.680 1.00 0.00 H new ATOM 0 HB2 GLN A 85 5.988 -3.079 -12.562 1.00 0.00 H new ATOM 0 HB3 GLN A 85 6.996 -4.088 -11.543 1.00 0.00 H new ATOM 0 HG2 GLN A 85 5.258 -5.801 -11.378 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.069 -4.753 -12.126 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.725 -5.231 -14.302 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.957 -5.873 -15.393 1.00 0.00 H new ATOM 1435 N ASP A 86 6.097 -0.829 -10.714 1.00 0.00 N ATOM 1436 CA ASP A 86 6.924 0.357 -10.354 1.00 0.00 C ATOM 1437 C ASP A 86 6.681 0.736 -8.890 1.00 0.00 C ATOM 1438 O ASP A 86 7.594 1.109 -8.180 1.00 0.00 O ATOM 1439 CB ASP A 86 6.553 1.537 -11.257 1.00 0.00 C ATOM 1440 CG ASP A 86 7.711 2.536 -11.295 1.00 0.00 C ATOM 1441 OD1 ASP A 86 8.530 2.497 -10.390 1.00 0.00 O ATOM 1442 OD2 ASP A 86 7.759 3.323 -12.225 1.00 0.00 O ATOM 0 H ASP A 86 5.435 -0.681 -11.476 1.00 0.00 H new ATOM 0 HA ASP A 86 7.977 0.112 -10.491 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.332 1.182 -12.264 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.651 2.024 -10.885 1.00 0.00 H new ATOM 1447 N PHE A 87 5.461 0.647 -8.428 1.00 0.00 N ATOM 1448 CA PHE A 87 5.183 1.008 -7.011 1.00 0.00 C ATOM 1449 C PHE A 87 5.555 -0.171 -6.119 1.00 0.00 C ATOM 1450 O PHE A 87 6.266 -0.031 -5.144 1.00 0.00 O ATOM 1451 CB PHE A 87 3.694 1.321 -6.836 1.00 0.00 C ATOM 1452 CG PHE A 87 3.331 2.570 -7.607 1.00 0.00 C ATOM 1453 CD1 PHE A 87 3.951 3.790 -7.303 1.00 0.00 C ATOM 1454 CD2 PHE A 87 2.368 2.511 -8.622 1.00 0.00 C ATOM 1455 CE1 PHE A 87 3.609 4.945 -8.016 1.00 0.00 C ATOM 1456 CE2 PHE A 87 2.027 3.667 -9.333 1.00 0.00 C ATOM 1457 CZ PHE A 87 2.647 4.883 -9.030 1.00 0.00 C ATOM 0 H PHE A 87 4.652 0.342 -8.968 1.00 0.00 H new ATOM 0 HA PHE A 87 5.769 1.886 -6.738 1.00 0.00 H new ATOM 0 HB2 PHE A 87 3.094 0.481 -7.186 1.00 0.00 H new ATOM 0 HB3 PHE A 87 3.465 1.457 -5.779 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.692 3.839 -6.519 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.888 1.572 -8.856 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.088 5.885 -7.783 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.285 3.620 -10.116 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.383 5.775 -9.579 1.00 0.00 H new ATOM 1467 N ILE A 88 5.071 -1.333 -6.450 1.00 0.00 N ATOM 1468 CA ILE A 88 5.382 -2.533 -5.630 1.00 0.00 C ATOM 1469 C ILE A 88 6.769 -3.064 -6.009 1.00 0.00 C ATOM 1470 O ILE A 88 7.742 -2.830 -5.319 1.00 0.00 O ATOM 1471 CB ILE A 88 4.312 -3.620 -5.853 1.00 0.00 C ATOM 1472 CG1 ILE A 88 3.216 -3.111 -6.804 1.00 0.00 C ATOM 1473 CG2 ILE A 88 3.675 -3.988 -4.511 1.00 0.00 C ATOM 1474 CD1 ILE A 88 1.989 -4.025 -6.727 1.00 0.00 C ATOM 0 H ILE A 88 4.471 -1.504 -7.257 1.00 0.00 H new ATOM 0 HA ILE A 88 5.380 -2.260 -4.575 1.00 0.00 H new ATOM 0 HB ILE A 88 4.790 -4.494 -6.296 1.00 0.00 H new ATOM 0 HG12 ILE A 88 2.937 -2.091 -6.538 1.00 0.00 H new ATOM 0 HG13 ILE A 88 3.594 -3.082 -7.826 1.00 0.00 H new ATOM 0 HG21 ILE A 88 2.918 -4.757 -4.666 1.00 0.00 H new ATOM 0 HG22 ILE A 88 4.442 -4.366 -3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.210 -3.104 -4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 88 1.218 -3.657 -7.404 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.271 -5.038 -7.015 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.604 -4.032 -5.707 1.00 0.00 H new ATOM 1486 N GLY A 89 6.869 -3.775 -7.102 1.00 0.00 N ATOM 1487 CA GLY A 89 8.195 -4.320 -7.525 1.00 0.00 C ATOM 1488 C GLY A 89 8.019 -5.747 -8.046 1.00 0.00 C ATOM 1489 O GLY A 89 8.145 -6.005 -9.226 1.00 0.00 O ATOM 0 H GLY A 89 6.090 -4.002 -7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.628 -3.689 -8.301 1.00 0.00 H new ATOM 0 HA3 GLY A 89 8.888 -4.312 -6.684 1.00 0.00 H new ATOM 1493 N LYS A 90 7.731 -6.677 -7.173 1.00 0.00 N ATOM 1494 CA LYS A 90 7.546 -8.093 -7.609 1.00 0.00 C ATOM 1495 C LYS A 90 6.173 -8.592 -7.153 1.00 0.00 C ATOM 1496 O LYS A 90 5.289 -7.817 -6.849 1.00 0.00 O ATOM 1497 CB LYS A 90 8.640 -8.965 -6.985 1.00 0.00 C ATOM 1498 CG LYS A 90 9.968 -8.203 -6.994 1.00 0.00 C ATOM 1499 CD LYS A 90 11.104 -9.133 -6.545 1.00 0.00 C ATOM 1500 CE LYS A 90 11.649 -9.908 -7.749 1.00 0.00 C ATOM 1501 NZ LYS A 90 12.794 -10.757 -7.315 1.00 0.00 N ATOM 0 H LYS A 90 7.616 -6.516 -6.172 1.00 0.00 H new ATOM 0 HA LYS A 90 7.610 -8.151 -8.696 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.369 -9.232 -5.964 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.739 -9.897 -7.542 1.00 0.00 H new ATOM 0 HG2 LYS A 90 10.172 -7.821 -7.994 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.908 -7.341 -6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 90 11.902 -8.551 -6.085 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.739 -9.828 -5.789 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.864 -10.530 -8.181 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.970 -9.215 -8.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 13.165 -11.284 -8.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.544 -10.153 -6.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.473 -11.427 -6.588 1.00 0.00 H new ATOM 1515 N ARG A 91 5.989 -9.884 -7.104 1.00 0.00 N ATOM 1516 CA ARG A 91 4.675 -10.435 -6.669 1.00 0.00 C ATOM 1517 C ARG A 91 4.872 -11.856 -6.135 1.00 0.00 C ATOM 1518 O ARG A 91 5.879 -12.166 -5.528 1.00 0.00 O ATOM 1519 CB ARG A 91 3.713 -10.461 -7.860 1.00 0.00 C ATOM 1520 CG ARG A 91 4.367 -11.192 -9.042 1.00 0.00 C ATOM 1521 CD ARG A 91 3.302 -11.960 -9.829 1.00 0.00 C ATOM 1522 NE ARG A 91 3.931 -12.601 -11.017 1.00 0.00 N ATOM 1523 CZ ARG A 91 4.128 -11.909 -12.106 1.00 0.00 C ATOM 1524 NH1 ARG A 91 3.769 -10.655 -12.157 1.00 0.00 N ATOM 1525 NH2 ARG A 91 4.685 -12.471 -13.144 1.00 0.00 N ATOM 0 H ARG A 91 6.693 -10.581 -7.347 1.00 0.00 H new ATOM 0 HA ARG A 91 4.258 -9.807 -5.882 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.786 -10.961 -7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.451 -9.443 -8.150 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.867 -10.475 -9.693 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.131 -11.880 -8.679 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.841 -12.717 -9.195 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.509 -11.283 -10.145 1.00 0.00 H new ATOM 0 HE ARG A 91 4.208 -13.582 -10.980 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.334 -10.216 -11.346 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.923 -10.115 -13.008 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.966 -13.451 -13.104 1.00 0.00 H new ATOM 0 HH22 ARG A 91 4.839 -11.931 -13.995 1.00 0.00 H new ATOM 1539 N ILE A 92 3.918 -12.722 -6.352 1.00 0.00 N ATOM 1540 CA ILE A 92 4.044 -14.124 -5.856 1.00 0.00 C ATOM 1541 C ILE A 92 3.577 -15.094 -6.944 1.00 0.00 C ATOM 1542 O ILE A 92 4.211 -16.097 -7.208 1.00 0.00 O ATOM 1543 CB ILE A 92 3.174 -14.302 -4.610 1.00 0.00 C ATOM 1544 CG1 ILE A 92 3.724 -13.434 -3.474 1.00 0.00 C ATOM 1545 CG2 ILE A 92 3.188 -15.768 -4.179 1.00 0.00 C ATOM 1546 CD1 ILE A 92 2.700 -13.370 -2.341 1.00 0.00 C ATOM 0 H ILE A 92 3.053 -12.518 -6.853 1.00 0.00 H new ATOM 0 HA ILE A 92 5.085 -14.330 -5.607 1.00 0.00 H new ATOM 0 HB ILE A 92 2.152 -14.000 -4.838 1.00 0.00 H new ATOM 0 HG12 ILE A 92 4.663 -13.848 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.940 -12.430 -3.841 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.568 -15.892 -3.291 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.796 -16.388 -4.985 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.210 -16.071 -3.952 1.00 0.00 H new ATOM 0 HD11 ILE A 92 3.091 -12.753 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.772 -12.936 -2.713 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.506 -14.376 -1.968 1.00 0.00 H new ATOM 1558 N PHE A 93 2.472 -14.806 -7.576 1.00 0.00 N ATOM 1559 CA PHE A 93 1.964 -15.713 -8.644 1.00 0.00 C ATOM 1560 C PHE A 93 2.734 -15.462 -9.942 1.00 0.00 C ATOM 1561 O PHE A 93 2.367 -14.618 -10.737 1.00 0.00 O ATOM 1562 CB PHE A 93 0.476 -15.443 -8.876 1.00 0.00 C ATOM 1563 CG PHE A 93 -0.312 -15.870 -7.659 1.00 0.00 C ATOM 1564 CD1 PHE A 93 -0.209 -15.142 -6.467 1.00 0.00 C ATOM 1565 CD2 PHE A 93 -1.145 -16.995 -7.722 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -0.940 -15.537 -5.340 1.00 0.00 C ATOM 1567 CE2 PHE A 93 -1.876 -17.388 -6.595 1.00 0.00 C ATOM 1568 CZ PHE A 93 -1.774 -16.660 -5.404 1.00 0.00 C ATOM 0 H PHE A 93 1.899 -13.981 -7.399 1.00 0.00 H new ATOM 0 HA PHE A 93 2.104 -16.749 -8.335 1.00 0.00 H new ATOM 0 HB2 PHE A 93 0.315 -14.383 -9.073 1.00 0.00 H new ATOM 0 HB3 PHE A 93 0.130 -15.987 -9.755 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.434 -14.276 -6.417 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.223 -17.559 -8.640 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.861 -14.975 -4.421 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.519 -18.254 -6.644 1.00 0.00 H new ATOM 0 HZ PHE A 93 -2.338 -16.964 -4.535 1.00 0.00 H new ATOM 1578 N ARG A 94 3.799 -16.188 -10.164 1.00 0.00 N ATOM 1579 CA ARG A 94 4.596 -15.994 -11.413 1.00 0.00 C ATOM 1580 C ARG A 94 4.363 -17.176 -12.357 1.00 0.00 C ATOM 1581 O ARG A 94 5.237 -17.990 -12.575 1.00 0.00 O ATOM 1582 CB ARG A 94 6.084 -15.904 -11.058 1.00 0.00 C ATOM 1583 CG ARG A 94 6.387 -16.833 -9.880 1.00 0.00 C ATOM 1584 CD ARG A 94 7.904 -16.949 -9.696 1.00 0.00 C ATOM 1585 NE ARG A 94 8.560 -15.690 -10.152 1.00 0.00 N ATOM 1586 CZ ARG A 94 9.745 -15.371 -9.707 1.00 0.00 C ATOM 1587 NH1 ARG A 94 10.358 -16.155 -8.861 1.00 0.00 N ATOM 1588 NH2 ARG A 94 10.318 -14.270 -10.108 1.00 0.00 N ATOM 0 H ARG A 94 4.152 -16.908 -9.534 1.00 0.00 H new ATOM 0 HA ARG A 94 4.284 -15.073 -11.905 1.00 0.00 H new ATOM 0 HB2 ARG A 94 6.691 -16.182 -11.919 1.00 0.00 H new ATOM 0 HB3 ARG A 94 6.346 -14.877 -10.802 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.928 -16.445 -8.970 1.00 0.00 H new ATOM 0 HG3 ARG A 94 5.956 -17.818 -10.060 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.140 -17.136 -8.648 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.286 -17.797 -10.265 1.00 0.00 H new ATOM 0 HE ARG A 94 8.082 -15.077 -10.813 1.00 0.00 H new ATOM 0 HH11 ARG A 94 9.911 -17.017 -8.548 1.00 0.00 H new ATOM 0 HH12 ARG A 94 11.284 -15.906 -8.513 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.840 -13.658 -10.769 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.244 -14.021 -9.760 1.00 0.00 H new ATOM 1602 N TYR A 95 3.190 -17.274 -12.921 1.00 0.00 N ATOM 1603 CA TYR A 95 2.903 -18.401 -13.853 1.00 0.00 C ATOM 1604 C TYR A 95 3.315 -19.722 -13.202 1.00 0.00 C ATOM 1605 O TYR A 95 2.580 -20.299 -12.425 1.00 0.00 O ATOM 1606 CB TYR A 95 3.693 -18.203 -15.149 1.00 0.00 C ATOM 1607 CG TYR A 95 3.128 -17.028 -15.912 1.00 0.00 C ATOM 1608 CD1 TYR A 95 3.451 -15.722 -15.525 1.00 0.00 C ATOM 1609 CD2 TYR A 95 2.283 -17.245 -17.007 1.00 0.00 C ATOM 1610 CE1 TYR A 95 2.929 -14.633 -16.234 1.00 0.00 C ATOM 1611 CE2 TYR A 95 1.762 -16.156 -17.716 1.00 0.00 C ATOM 1612 CZ TYR A 95 2.084 -14.850 -17.328 1.00 0.00 C ATOM 1613 OH TYR A 95 1.569 -13.776 -18.026 1.00 0.00 O ATOM 0 H TYR A 95 2.418 -16.623 -12.777 1.00 0.00 H new ATOM 0 HA TYR A 95 1.836 -18.425 -14.076 1.00 0.00 H new ATOM 0 HB2 TYR A 95 4.745 -18.031 -14.923 1.00 0.00 H new ATOM 0 HB3 TYR A 95 3.642 -19.105 -15.759 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.102 -15.554 -14.680 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.033 -18.253 -17.305 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.179 -13.625 -15.936 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.112 -16.323 -18.562 1.00 0.00 H new ATOM 0 HH TYR A 95 1.003 -14.102 -18.756 1.00 0.00 H new