USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 797 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 119 GLN : amide:sc= 0.258 K(o=0.87,f=0.18) USER MOD Set 1.2: A 123 THR OG1 : rot 157:sc= 0.616 USER MOD Set 2.1: A 115 THR OG1 : rot 88:sc= 0.909 USER MOD Set 2.2: A 116 ASN : amide:sc= 0.884 K(o=1.8,f=0.33) USER MOD Set 3.1: A 65 ASN :FLIP amide:sc= -9.73! C(o=-20!,f=-12!) USER MOD Set 3.2: A 73 GLN :FLIP amide:sc= -2.38! C(o=-19!,f=-12!) USER MOD Set 4.1: A 55 LYS NZ :NH3+ 143:sc= 0.28 (180deg=0) USER MOD Set 4.2: A 114 ASN :FLIP amide:sc= -2.13! C(o=-5.5!,f=-1.9!) USER MOD Single : A 33 GLN : amide:sc= -1.05 K(o=-1.1,f=-2.9!) USER MOD Single : A 42 THR OG1 : rot -68:sc= -2.6! USER MOD Single : A 49 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.4) USER MOD Single : A 51 MET CE :methyl -168:sc= -2.75! (180deg=-3.24!) USER MOD Single : A 61 CYS SG : rot -98:sc= -3! USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0281 F(o=-3.6!,f=-0.028) USER MOD Single : A 71 SER OG : rot 40:sc= -3.22! USER MOD Single : A 74 LYS NZ :NH3+ -143:sc= -3.56! (180deg=-6.48!) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.0183 F(o=-0.57,f=-0.018) USER MOD Single : A 80 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.14) USER MOD Single : A 81 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.59) USER MOD Single : A 83 HIS : no HD1:sc= -4.13! C(o=-4.1!,f=-4.2!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc= 0.491 K(o=0.49,f=-6.4!) USER MOD Single : A 90 ASN : amide:sc= -0.59 X(o=-0.59,f=-0.15) USER MOD Single : A 96 LYS NZ :NH3+ 164:sc= -1.53 (180deg=-1.92!) USER MOD Single : A 97 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 ASN : amide:sc= -0.313 K(o=-0.31,f=-3!) USER MOD Single : A 117 HIS : no HE2:sc= -2.48! C(o=-2.5!,f=-7.4!) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= -5.25! C(o=-5.3!,f=-5.6!) USER MOD Single : A 132 LYS NZ :NH3+ -168:sc=-0.00344 (180deg=-0.206) USER MOD ----------------------------------------------------------------- ATOM 104 N GLN A 33 -6.683 -2.542 -13.653 1.00 0.00 N ATOM 105 CA GLN A 33 -7.316 -1.737 -12.605 1.00 0.00 C ATOM 106 C GLN A 33 -6.297 -1.284 -11.561 1.00 0.00 C ATOM 107 O GLN A 33 -6.272 -0.114 -11.183 1.00 0.00 O ATOM 108 CB GLN A 33 -8.455 -2.507 -11.925 1.00 0.00 C ATOM 109 CG GLN A 33 -9.769 -2.487 -12.693 1.00 0.00 C ATOM 110 CD GLN A 33 -9.647 -3.032 -14.104 1.00 0.00 C ATOM 111 OE1 GLN A 33 -8.997 -2.433 -14.957 1.00 0.00 O ATOM 112 NE2 GLN A 33 -10.277 -4.173 -14.353 1.00 0.00 N ATOM 0 HA GLN A 33 -7.733 -0.853 -13.087 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -8.145 -3.543 -11.785 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.621 -2.087 -10.933 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.510 -3.072 -12.148 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.141 -1.463 -12.737 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.805 -4.636 -13.613 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.233 -4.587 -15.284 1.00 0.00 H new ATOM 121 N LEU A 34 -5.460 -2.209 -11.099 1.00 0.00 N ATOM 122 CA LEU A 34 -4.447 -1.886 -10.101 1.00 0.00 C ATOM 123 C LEU A 34 -3.349 -1.008 -10.697 1.00 0.00 C ATOM 124 O LEU A 34 -2.947 -0.012 -10.098 1.00 0.00 O ATOM 125 CB LEU A 34 -3.831 -3.166 -9.524 1.00 0.00 C ATOM 126 CG LEU A 34 -4.797 -4.073 -8.757 1.00 0.00 C ATOM 127 CD1 LEU A 34 -4.062 -5.284 -8.201 1.00 0.00 C ATOM 128 CD2 LEU A 34 -5.480 -3.304 -7.636 1.00 0.00 C ATOM 0 H LEU A 34 -5.464 -3.184 -11.399 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.936 -1.333 -9.299 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.394 -3.739 -10.342 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.015 -2.887 -8.858 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.563 -4.421 -9.450 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.763 -5.918 -7.659 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.621 -5.850 -9.021 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.275 -4.953 -7.524 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.162 -3.967 -7.103 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.728 -2.925 -6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.040 -2.469 -8.056 1.00 0.00 H new ATOM 140 N ARG A 35 -2.866 -1.388 -11.879 1.00 0.00 N ATOM 141 CA ARG A 35 -1.810 -0.636 -12.553 1.00 0.00 C ATOM 142 C ARG A 35 -2.364 0.627 -13.212 1.00 0.00 C ATOM 143 O ARG A 35 -1.880 1.054 -14.260 1.00 0.00 O ATOM 144 CB ARG A 35 -1.124 -1.513 -13.601 1.00 0.00 C ATOM 145 CG ARG A 35 -2.069 -2.034 -14.673 1.00 0.00 C ATOM 146 CD ARG A 35 -1.338 -2.899 -15.688 1.00 0.00 C ATOM 147 NE ARG A 35 -2.235 -3.402 -16.724 1.00 0.00 N ATOM 148 CZ ARG A 35 -1.842 -4.183 -17.726 1.00 0.00 C ATOM 149 NH1 ARG A 35 -0.571 -4.551 -17.824 1.00 0.00 N ATOM 150 NH2 ARG A 35 -2.718 -4.597 -18.630 1.00 0.00 N ATOM 0 H ARG A 35 -3.189 -2.211 -12.388 1.00 0.00 H new ATOM 0 HA ARG A 35 -1.080 -0.336 -11.801 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.328 -0.940 -14.077 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.652 -2.359 -13.102 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -2.866 -2.613 -14.207 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -2.542 -1.194 -15.182 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.539 -2.319 -16.150 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.867 -3.739 -15.177 1.00 0.00 H new ATOM 0 HE ARG A 35 -3.219 -3.139 -16.677 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.106 -4.235 -17.130 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.271 -5.150 -18.593 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.696 -4.317 -18.558 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.414 -5.196 -19.398 1.00 0.00 H new ATOM 164 N VAL A 36 -3.374 1.221 -12.583 1.00 0.00 N ATOM 165 CA VAL A 36 -4.004 2.438 -13.091 1.00 0.00 C ATOM 166 C VAL A 36 -4.628 3.223 -11.943 1.00 0.00 C ATOM 167 O VAL A 36 -4.569 4.452 -11.904 1.00 0.00 O ATOM 168 CB VAL A 36 -5.105 2.127 -14.131 1.00 0.00 C ATOM 169 CG1 VAL A 36 -5.800 3.405 -14.573 1.00 0.00 C ATOM 170 CG2 VAL A 36 -4.537 1.385 -15.332 1.00 0.00 C ATOM 0 H VAL A 36 -3.778 0.876 -11.712 1.00 0.00 H new ATOM 0 HA VAL A 36 -3.223 3.025 -13.575 1.00 0.00 H new ATOM 0 HB VAL A 36 -5.840 1.479 -13.654 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.571 3.165 -15.305 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.257 3.888 -13.709 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.071 4.079 -15.022 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -5.336 1.181 -16.045 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.772 1.997 -15.810 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -4.095 0.444 -15.003 1.00 0.00 H new ATOM 180 N TRP A 37 -5.234 2.491 -11.015 1.00 0.00 N ATOM 181 CA TRP A 37 -5.887 3.087 -9.856 1.00 0.00 C ATOM 182 C TRP A 37 -4.892 3.818 -8.954 1.00 0.00 C ATOM 183 O TRP A 37 -4.908 5.046 -8.867 1.00 0.00 O ATOM 184 CB TRP A 37 -6.635 1.991 -9.071 1.00 0.00 C ATOM 185 CG TRP A 37 -6.735 2.226 -7.586 1.00 0.00 C ATOM 186 CD1 TRP A 37 -6.824 3.423 -6.933 1.00 0.00 C ATOM 187 CD2 TRP A 37 -6.764 1.218 -6.571 1.00 0.00 C ATOM 188 NE1 TRP A 37 -6.859 3.219 -5.578 1.00 0.00 N ATOM 189 CE2 TRP A 37 -6.842 1.874 -5.330 1.00 0.00 C ATOM 190 CE3 TRP A 37 -6.724 -0.177 -6.593 1.00 0.00 C ATOM 191 CZ2 TRP A 37 -6.880 1.181 -4.122 1.00 0.00 C ATOM 192 CZ3 TRP A 37 -6.765 -0.863 -5.396 1.00 0.00 C ATOM 193 CH2 TRP A 37 -6.843 -0.184 -4.175 1.00 0.00 C ATOM 0 H TRP A 37 -5.286 1.473 -11.044 1.00 0.00 H new ATOM 0 HA TRP A 37 -6.600 3.832 -10.209 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -7.642 1.898 -9.477 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -6.133 1.038 -9.240 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -6.861 4.389 -7.414 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -6.892 3.952 -4.869 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -6.662 -0.710 -7.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -6.937 1.703 -3.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -6.736 -1.943 -5.402 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -6.875 -0.750 -3.256 1.00 0.00 H new ATOM 204 N ILE A 38 -4.058 3.055 -8.257 1.00 0.00 N ATOM 205 CA ILE A 38 -3.091 3.631 -7.331 1.00 0.00 C ATOM 206 C ILE A 38 -2.189 4.646 -8.025 1.00 0.00 C ATOM 207 O ILE A 38 -1.946 5.733 -7.499 1.00 0.00 O ATOM 208 CB ILE A 38 -2.215 2.549 -6.671 1.00 0.00 C ATOM 209 CG1 ILE A 38 -3.074 1.448 -6.041 1.00 0.00 C ATOM 210 CG2 ILE A 38 -1.300 3.171 -5.627 1.00 0.00 C ATOM 211 CD1 ILE A 38 -3.437 0.340 -7.004 1.00 0.00 C ATOM 0 H ILE A 38 -4.032 2.037 -8.316 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.671 4.135 -6.558 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.602 2.093 -7.448 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.538 1.021 -5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.989 1.892 -5.649 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.688 2.393 -5.170 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.654 3.909 -6.103 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.902 3.657 -4.859 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.045 -0.404 -6.490 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.000 0.755 -7.840 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.527 -0.130 -7.377 1.00 0.00 H new ATOM 223 N GLU A 39 -1.698 4.290 -9.207 1.00 0.00 N ATOM 224 CA GLU A 39 -0.824 5.177 -9.967 1.00 0.00 C ATOM 225 C GLU A 39 -1.538 6.483 -10.297 1.00 0.00 C ATOM 226 O GLU A 39 -0.948 7.559 -10.229 1.00 0.00 O ATOM 227 CB GLU A 39 -0.349 4.503 -11.258 1.00 0.00 C ATOM 228 CG GLU A 39 0.514 3.270 -11.030 1.00 0.00 C ATOM 229 CD GLU A 39 -0.293 2.038 -10.672 1.00 0.00 C ATOM 230 OE1 GLU A 39 -1.537 2.097 -10.746 1.00 0.00 O ATOM 231 OE2 GLU A 39 0.322 1.004 -10.335 1.00 0.00 O ATOM 0 H GLU A 39 -1.889 3.396 -9.659 1.00 0.00 H new ATOM 0 HA GLU A 39 0.046 5.397 -9.349 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.220 4.220 -11.850 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.216 5.226 -11.847 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.094 3.068 -11.931 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.227 3.475 -10.231 1.00 0.00 H new ATOM 238 N GLY A 40 -2.812 6.376 -10.657 1.00 0.00 N ATOM 239 CA GLY A 40 -3.592 7.553 -10.997 1.00 0.00 C ATOM 240 C GLY A 40 -3.754 8.514 -9.833 1.00 0.00 C ATOM 241 O GLY A 40 -3.705 9.730 -10.016 1.00 0.00 O ATOM 0 H GLY A 40 -3.320 5.494 -10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.112 8.073 -11.826 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -4.577 7.241 -11.344 1.00 0.00 H new ATOM 245 N ALA A 41 -3.960 7.970 -8.636 1.00 0.00 N ATOM 246 CA ALA A 41 -4.145 8.791 -7.442 1.00 0.00 C ATOM 247 C ALA A 41 -2.967 9.733 -7.218 1.00 0.00 C ATOM 248 O ALA A 41 -3.130 10.953 -7.208 1.00 0.00 O ATOM 249 CB ALA A 41 -4.343 7.906 -6.219 1.00 0.00 C ATOM 0 H ALA A 41 -4.003 6.965 -8.467 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.036 9.400 -7.596 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.480 8.531 -5.336 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.224 7.281 -6.361 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.467 7.272 -6.083 1.00 0.00 H new ATOM 255 N THR A 42 -1.782 9.161 -7.031 1.00 0.00 N ATOM 256 CA THR A 42 -0.581 9.953 -6.799 1.00 0.00 C ATOM 257 C THR A 42 -0.032 10.523 -8.102 1.00 0.00 C ATOM 258 O THR A 42 0.173 11.731 -8.227 1.00 0.00 O ATOM 259 CB THR A 42 0.515 9.113 -6.119 1.00 0.00 C ATOM 260 OG1 THR A 42 0.934 8.057 -6.991 1.00 0.00 O ATOM 261 CG2 THR A 42 0.010 8.522 -4.810 1.00 0.00 C ATOM 0 H THR A 42 -1.628 8.153 -7.036 1.00 0.00 H new ATOM 0 HA THR A 42 -0.866 10.775 -6.142 1.00 0.00 H new ATOM 0 HB THR A 42 1.361 9.766 -5.904 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.205 7.410 -7.095 1.00 0.00 H new ATOM 0 HG21 THR A 42 0.802 7.933 -4.348 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.283 9.327 -4.137 1.00 0.00 H new ATOM 0 HG23 THR A 42 -0.850 7.882 -5.007 1.00 0.00 H new ATOM 269 N GLY A 43 0.210 9.642 -9.066 1.00 0.00 N ATOM 270 CA GLY A 43 0.742 10.058 -10.348 1.00 0.00 C ATOM 271 C GLY A 43 2.149 9.546 -10.561 1.00 0.00 C ATOM 272 O GLY A 43 3.007 10.258 -11.084 1.00 0.00 O ATOM 0 H GLY A 43 0.045 8.639 -8.980 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.096 9.692 -11.146 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.737 11.146 -10.408 1.00 0.00 H new ATOM 276 N ARG A 44 2.385 8.303 -10.145 1.00 0.00 N ATOM 277 CA ARG A 44 3.698 7.684 -10.277 1.00 0.00 C ATOM 278 C ARG A 44 3.579 6.266 -10.820 1.00 0.00 C ATOM 279 O ARG A 44 2.710 5.502 -10.397 1.00 0.00 O ATOM 280 CB ARG A 44 4.399 7.634 -8.918 1.00 0.00 C ATOM 281 CG ARG A 44 4.389 8.951 -8.160 1.00 0.00 C ATOM 282 CD ARG A 44 5.082 10.052 -8.941 1.00 0.00 C ATOM 283 NE ARG A 44 5.191 11.292 -8.172 1.00 0.00 N ATOM 284 CZ ARG A 44 4.145 11.996 -7.748 1.00 0.00 C ATOM 285 NH1 ARG A 44 2.912 11.597 -8.027 1.00 0.00 N ATOM 286 NH2 ARG A 44 4.334 13.105 -7.046 1.00 0.00 N ATOM 0 H ARG A 44 1.680 7.705 -9.713 1.00 0.00 H new ATOM 0 HA ARG A 44 4.281 8.287 -10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.921 6.871 -8.304 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.433 7.322 -9.067 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.360 9.244 -7.953 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.883 8.821 -7.197 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.078 9.718 -9.231 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.530 10.245 -9.861 1.00 0.00 H new ATOM 0 HE ARG A 44 6.124 11.637 -7.948 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.762 10.746 -8.569 1.00 0.00 H new ATOM 0 HH12 ARG A 44 2.114 12.141 -7.699 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.281 13.418 -6.832 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.532 13.645 -6.721 1.00 0.00 H new ATOM 300 N ARG A 45 4.466 5.909 -11.743 1.00 0.00 N ATOM 301 CA ARG A 45 4.463 4.570 -12.319 1.00 0.00 C ATOM 302 C ARG A 45 5.144 3.585 -11.370 1.00 0.00 C ATOM 303 O ARG A 45 5.708 2.581 -11.803 1.00 0.00 O ATOM 304 CB ARG A 45 5.177 4.572 -13.673 1.00 0.00 C ATOM 305 CG ARG A 45 4.541 5.499 -14.699 1.00 0.00 C ATOM 306 CD ARG A 45 3.113 5.086 -15.020 1.00 0.00 C ATOM 307 NE ARG A 45 2.492 5.971 -16.003 1.00 0.00 N ATOM 308 CZ ARG A 45 2.929 6.113 -17.252 1.00 0.00 C ATOM 309 NH1 ARG A 45 3.978 5.420 -17.677 1.00 0.00 N ATOM 310 NH2 ARG A 45 2.313 6.946 -18.079 1.00 0.00 N ATOM 0 H ARG A 45 5.193 6.525 -12.107 1.00 0.00 H new ATOM 0 HA ARG A 45 3.429 4.259 -12.468 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.216 4.866 -13.525 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.187 3.557 -14.070 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.548 6.521 -14.320 1.00 0.00 H new ATOM 0 HG3 ARG A 45 5.136 5.494 -15.613 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.108 4.064 -15.399 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.521 5.089 -14.105 1.00 0.00 H new ATOM 0 HE ARG A 45 1.676 6.511 -15.715 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.453 4.775 -17.045 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.309 5.532 -18.635 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.504 7.478 -17.758 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.648 7.055 -19.036 1.00 0.00 H new ATOM 324 N ILE A 46 5.077 3.890 -10.073 1.00 0.00 N ATOM 325 CA ILE A 46 5.672 3.061 -9.032 1.00 0.00 C ATOM 326 C ILE A 46 7.174 2.891 -9.245 1.00 0.00 C ATOM 327 O ILE A 46 7.984 3.524 -8.567 1.00 0.00 O ATOM 328 CB ILE A 46 5.000 1.678 -8.976 1.00 0.00 C ATOM 329 CG1 ILE A 46 3.523 1.822 -8.598 1.00 0.00 C ATOM 330 CG2 ILE A 46 5.724 0.769 -7.991 1.00 0.00 C ATOM 331 CD1 ILE A 46 2.777 0.506 -8.542 1.00 0.00 C ATOM 0 H ILE A 46 4.606 4.722 -9.717 1.00 0.00 H new ATOM 0 HA ILE A 46 5.511 3.573 -8.084 1.00 0.00 H new ATOM 0 HB ILE A 46 5.060 1.221 -9.964 1.00 0.00 H new ATOM 0 HG12 ILE A 46 3.452 2.311 -7.627 1.00 0.00 H new ATOM 0 HG13 ILE A 46 3.034 2.476 -9.321 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.234 -0.204 -7.966 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.761 0.645 -8.305 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.697 1.215 -6.997 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.738 0.688 -8.268 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.816 0.024 -9.519 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.240 -0.143 -7.799 1.00 0.00 H new ATOM 343 N GLY A 47 7.537 2.035 -10.192 1.00 0.00 N ATOM 344 CA GLY A 47 8.939 1.795 -10.484 1.00 0.00 C ATOM 345 C GLY A 47 9.158 0.512 -11.261 1.00 0.00 C ATOM 346 O GLY A 47 8.384 0.184 -12.161 1.00 0.00 O ATOM 0 H GLY A 47 6.884 1.501 -10.765 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.337 2.634 -11.055 1.00 0.00 H new ATOM 0 HA3 GLY A 47 9.499 1.751 -9.550 1.00 0.00 H new ATOM 350 N ASP A 48 10.213 -0.215 -10.910 1.00 0.00 N ATOM 351 CA ASP A 48 10.533 -1.474 -11.575 1.00 0.00 C ATOM 352 C ASP A 48 9.518 -2.552 -11.210 1.00 0.00 C ATOM 353 O ASP A 48 9.109 -2.664 -10.053 1.00 0.00 O ATOM 354 CB ASP A 48 11.942 -1.933 -11.195 1.00 0.00 C ATOM 355 CG ASP A 48 13.004 -0.925 -11.586 1.00 0.00 C ATOM 356 OD1 ASP A 48 13.123 -0.626 -12.792 1.00 0.00 O ATOM 357 OD2 ASP A 48 13.718 -0.435 -10.685 1.00 0.00 O ATOM 0 H ASP A 48 10.862 0.046 -10.168 1.00 0.00 H new ATOM 0 HA ASP A 48 10.492 -1.309 -12.652 1.00 0.00 H new ATOM 0 HB2 ASP A 48 11.987 -2.105 -10.120 1.00 0.00 H new ATOM 0 HB3 ASP A 48 12.154 -2.886 -11.680 1.00 0.00 H new ATOM 362 N ASN A 49 9.116 -3.345 -12.201 1.00 0.00 N ATOM 363 CA ASN A 49 8.151 -4.416 -11.983 1.00 0.00 C ATOM 364 C ASN A 49 6.832 -3.858 -11.445 1.00 0.00 C ATOM 365 O ASN A 49 6.244 -2.956 -12.043 1.00 0.00 O ATOM 366 CB ASN A 49 8.726 -5.460 -11.021 1.00 0.00 C ATOM 367 CG ASN A 49 10.004 -6.086 -11.545 1.00 0.00 C ATOM 368 OD1 ASN A 49 10.996 -5.396 -11.782 1.00 0.00 O ATOM 369 ND2 ASN A 49 9.986 -7.401 -11.729 1.00 0.00 N ATOM 0 H ASN A 49 9.445 -3.264 -13.163 1.00 0.00 H new ATOM 0 HA ASN A 49 7.949 -4.897 -12.940 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.923 -4.992 -10.056 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.985 -6.241 -10.851 1.00 0.00 H new ATOM 0 HD21 ASN A 49 10.816 -7.878 -12.080 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.142 -7.934 -11.519 1.00 0.00 H new ATOM 376 N PHE A 50 6.368 -4.397 -10.319 1.00 0.00 N ATOM 377 CA PHE A 50 5.119 -3.945 -9.715 1.00 0.00 C ATOM 378 C PHE A 50 5.069 -4.308 -8.234 1.00 0.00 C ATOM 379 O PHE A 50 4.784 -3.460 -7.389 1.00 0.00 O ATOM 380 CB PHE A 50 3.925 -4.568 -10.447 1.00 0.00 C ATOM 381 CG PHE A 50 2.589 -4.164 -9.888 1.00 0.00 C ATOM 382 CD1 PHE A 50 2.288 -2.830 -9.663 1.00 0.00 C ATOM 383 CD2 PHE A 50 1.633 -5.122 -9.591 1.00 0.00 C ATOM 384 CE1 PHE A 50 1.058 -2.459 -9.151 1.00 0.00 C ATOM 385 CE2 PHE A 50 0.401 -4.757 -9.080 1.00 0.00 C ATOM 386 CZ PHE A 50 0.114 -3.424 -8.860 1.00 0.00 C ATOM 0 H PHE A 50 6.838 -5.145 -9.809 1.00 0.00 H new ATOM 0 HA PHE A 50 5.069 -2.860 -9.805 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.968 -4.285 -11.499 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.012 -5.654 -10.405 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.022 -2.071 -9.890 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.853 -6.166 -9.761 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.836 -1.416 -8.979 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.336 -5.513 -8.853 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.848 -3.137 -8.461 1.00 0.00 H new ATOM 396 N MET A 51 5.353 -5.569 -7.927 1.00 0.00 N ATOM 397 CA MET A 51 5.346 -6.038 -6.546 1.00 0.00 C ATOM 398 C MET A 51 6.537 -5.467 -5.789 1.00 0.00 C ATOM 399 O MET A 51 6.393 -4.921 -4.694 1.00 0.00 O ATOM 400 CB MET A 51 5.396 -7.566 -6.507 1.00 0.00 C ATOM 401 CG MET A 51 4.468 -8.222 -7.512 1.00 0.00 C ATOM 402 SD MET A 51 2.743 -7.754 -7.283 1.00 0.00 S ATOM 403 CE MET A 51 2.453 -8.366 -5.629 1.00 0.00 C ATOM 0 H MET A 51 5.591 -6.284 -8.615 1.00 0.00 H new ATOM 0 HA MET A 51 4.426 -5.699 -6.070 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.418 -7.894 -6.698 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.134 -7.906 -5.505 1.00 0.00 H new ATOM 0 HG2 MET A 51 4.782 -7.951 -8.520 1.00 0.00 H new ATOM 0 HG3 MET A 51 4.559 -9.305 -7.430 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.384 -8.349 -5.417 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.822 -9.388 -5.549 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.976 -7.735 -4.911 1.00 0.00 H new ATOM 413 N ASP A 52 7.713 -5.594 -6.392 1.00 0.00 N ATOM 414 CA ASP A 52 8.946 -5.089 -5.796 1.00 0.00 C ATOM 415 C ASP A 52 8.860 -3.581 -5.577 1.00 0.00 C ATOM 416 O ASP A 52 9.412 -3.048 -4.617 1.00 0.00 O ATOM 417 CB ASP A 52 10.142 -5.427 -6.691 1.00 0.00 C ATOM 418 CG ASP A 52 11.464 -4.982 -6.094 1.00 0.00 C ATOM 419 OD1 ASP A 52 11.649 -3.763 -5.894 1.00 0.00 O ATOM 420 OD2 ASP A 52 12.315 -5.856 -5.824 1.00 0.00 O ATOM 0 H ASP A 52 7.840 -6.045 -7.298 1.00 0.00 H new ATOM 0 HA ASP A 52 9.083 -5.570 -4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.169 -6.503 -6.863 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.009 -4.952 -7.663 1.00 0.00 H new ATOM 425 N GLY A 53 8.165 -2.897 -6.480 1.00 0.00 N ATOM 426 CA GLY A 53 8.019 -1.458 -6.367 1.00 0.00 C ATOM 427 C GLY A 53 7.251 -1.050 -5.123 1.00 0.00 C ATOM 428 O GLY A 53 7.621 -0.094 -4.444 1.00 0.00 O ATOM 0 H GLY A 53 7.701 -3.313 -7.287 1.00 0.00 H new ATOM 0 HA2 GLY A 53 9.006 -0.996 -6.349 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.505 -1.077 -7.249 1.00 0.00 H new ATOM 432 N LEU A 54 6.177 -1.777 -4.831 1.00 0.00 N ATOM 433 CA LEU A 54 5.338 -1.497 -3.667 1.00 0.00 C ATOM 434 C LEU A 54 6.130 -1.607 -2.363 1.00 0.00 C ATOM 435 O LEU A 54 5.783 -0.979 -1.362 1.00 0.00 O ATOM 436 CB LEU A 54 4.154 -2.466 -3.629 1.00 0.00 C ATOM 437 CG LEU A 54 3.241 -2.430 -4.859 1.00 0.00 C ATOM 438 CD1 LEU A 54 2.184 -3.518 -4.768 1.00 0.00 C ATOM 439 CD2 LEU A 54 2.586 -1.065 -4.999 1.00 0.00 C ATOM 0 H LEU A 54 5.864 -2.571 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 54 4.975 -0.473 -3.760 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.538 -3.479 -3.511 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.555 -2.248 -2.745 1.00 0.00 H new ATOM 0 HG LEU A 54 3.850 -2.612 -5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.544 -3.478 -5.650 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.669 -4.493 -4.715 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.580 -3.364 -3.874 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.942 -1.059 -5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.990 -0.855 -4.111 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.356 -0.301 -5.109 1.00 0.00 H new ATOM 451 N LYS A 55 7.175 -2.428 -2.379 1.00 0.00 N ATOM 452 CA LYS A 55 8.008 -2.653 -1.198 1.00 0.00 C ATOM 453 C LYS A 55 8.438 -1.345 -0.534 1.00 0.00 C ATOM 454 O LYS A 55 8.389 -1.221 0.690 1.00 0.00 O ATOM 455 CB LYS A 55 9.249 -3.457 -1.581 1.00 0.00 C ATOM 456 CG LYS A 55 8.939 -4.729 -2.352 1.00 0.00 C ATOM 457 CD LYS A 55 10.211 -5.437 -2.788 1.00 0.00 C ATOM 458 CE LYS A 55 10.924 -6.069 -1.611 1.00 0.00 C ATOM 459 NZ LYS A 55 12.241 -6.644 -1.999 1.00 0.00 N ATOM 0 H LYS A 55 7.469 -2.953 -3.203 1.00 0.00 H new ATOM 0 HA LYS A 55 7.405 -3.209 -0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.906 -2.829 -2.183 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.797 -3.716 -0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.344 -5.397 -1.730 1.00 0.00 H new ATOM 0 HG3 LYS A 55 8.337 -4.488 -3.228 1.00 0.00 H new ATOM 0 HD2 LYS A 55 9.968 -6.205 -3.523 1.00 0.00 H new ATOM 0 HD3 LYS A 55 10.875 -4.725 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 55 11.071 -5.321 -0.832 1.00 0.00 H new ATOM 0 HE3 LYS A 55 10.297 -6.853 -1.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 12.926 -6.492 -1.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 12.137 -7.664 -2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.582 -6.178 -2.864 1.00 0.00 H new ATOM 473 N ASP A 56 8.877 -0.380 -1.340 1.00 0.00 N ATOM 474 CA ASP A 56 9.332 0.904 -0.811 1.00 0.00 C ATOM 475 C ASP A 56 8.269 1.566 0.061 1.00 0.00 C ATOM 476 O ASP A 56 8.592 2.269 1.018 1.00 0.00 O ATOM 477 CB ASP A 56 9.749 1.848 -1.946 1.00 0.00 C ATOM 478 CG ASP A 56 8.619 2.163 -2.910 1.00 0.00 C ATOM 479 OD1 ASP A 56 7.493 1.670 -2.695 1.00 0.00 O ATOM 480 OD2 ASP A 56 8.862 2.911 -3.880 1.00 0.00 O ATOM 0 H ASP A 56 8.927 -0.462 -2.355 1.00 0.00 H new ATOM 0 HA ASP A 56 10.201 0.703 -0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.122 2.778 -1.517 1.00 0.00 H new ATOM 0 HB3 ASP A 56 10.574 1.399 -2.498 1.00 0.00 H new ATOM 485 N GLY A 57 7.003 1.342 -0.274 1.00 0.00 N ATOM 486 CA GLY A 57 5.922 1.932 0.492 1.00 0.00 C ATOM 487 C GLY A 57 5.951 3.446 0.447 1.00 0.00 C ATOM 488 O GLY A 57 6.557 4.088 1.305 1.00 0.00 O ATOM 0 H GLY A 57 6.707 0.764 -1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.967 1.577 0.104 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.989 1.599 1.528 1.00 0.00 H new ATOM 492 N VAL A 58 5.295 4.018 -0.558 1.00 0.00 N ATOM 493 CA VAL A 58 5.241 5.466 -0.722 1.00 0.00 C ATOM 494 C VAL A 58 3.979 5.866 -1.469 1.00 0.00 C ATOM 495 O VAL A 58 3.177 6.655 -0.976 1.00 0.00 O ATOM 496 CB VAL A 58 6.452 6.006 -1.515 1.00 0.00 C ATOM 497 CG1 VAL A 58 6.381 7.522 -1.628 1.00 0.00 C ATOM 498 CG2 VAL A 58 7.765 5.581 -0.874 1.00 0.00 C ATOM 0 H VAL A 58 4.791 3.497 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 58 5.252 5.893 0.281 1.00 0.00 H new ATOM 0 HB VAL A 58 6.414 5.578 -2.517 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.242 7.886 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 58 5.464 7.806 -2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 58 6.386 7.962 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 58 8.598 5.976 -1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.816 5.969 0.143 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.823 4.493 -0.851 1.00 0.00 H new ATOM 508 N ILE A 59 3.813 5.311 -2.665 1.00 0.00 N ATOM 509 CA ILE A 59 2.649 5.607 -3.486 1.00 0.00 C ATOM 510 C ILE A 59 1.379 5.073 -2.838 1.00 0.00 C ATOM 511 O ILE A 59 0.369 5.773 -2.770 1.00 0.00 O ATOM 512 CB ILE A 59 2.793 5.019 -4.902 1.00 0.00 C ATOM 513 CG1 ILE A 59 4.088 5.513 -5.556 1.00 0.00 C ATOM 514 CG2 ILE A 59 1.587 5.383 -5.756 1.00 0.00 C ATOM 515 CD1 ILE A 59 4.262 7.015 -5.519 1.00 0.00 C ATOM 0 H ILE A 59 4.471 4.654 -3.085 1.00 0.00 H new ATOM 0 HA ILE A 59 2.580 6.692 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 59 2.840 3.933 -4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.937 5.047 -5.055 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.108 5.181 -6.594 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.706 4.959 -6.753 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.683 4.983 -5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.508 6.468 -5.830 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.202 7.284 -6.001 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.434 7.490 -6.046 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.275 7.354 -4.483 1.00 0.00 H new ATOM 527 N LEU A 60 1.436 3.835 -2.350 1.00 0.00 N ATOM 528 CA LEU A 60 0.287 3.227 -1.690 1.00 0.00 C ATOM 529 C LEU A 60 -0.087 4.036 -0.458 1.00 0.00 C ATOM 530 O LEU A 60 -1.259 4.338 -0.228 1.00 0.00 O ATOM 531 CB LEU A 60 0.591 1.779 -1.295 1.00 0.00 C ATOM 532 CG LEU A 60 0.848 0.826 -2.464 1.00 0.00 C ATOM 533 CD1 LEU A 60 1.148 -0.574 -1.948 1.00 0.00 C ATOM 534 CD2 LEU A 60 -0.345 0.805 -3.408 1.00 0.00 C ATOM 0 H LEU A 60 2.261 3.238 -2.400 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.551 3.223 -2.387 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.464 1.773 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.245 1.395 -0.711 1.00 0.00 H new ATOM 0 HG LEU A 60 1.716 1.183 -3.019 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.329 -1.241 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.032 -0.545 -1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.298 -0.939 -1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.144 0.122 -4.233 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.231 0.471 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.516 1.807 -3.800 1.00 0.00 H new ATOM 546 N CYS A 61 0.926 4.401 0.321 1.00 0.00 N ATOM 547 CA CYS A 61 0.722 5.198 1.520 1.00 0.00 C ATOM 548 C CYS A 61 0.065 6.522 1.153 1.00 0.00 C ATOM 549 O CYS A 61 -0.870 6.975 1.814 1.00 0.00 O ATOM 550 CB CYS A 61 2.062 5.439 2.220 1.00 0.00 C ATOM 551 SG CYS A 61 2.845 3.933 2.837 1.00 0.00 S ATOM 0 H CYS A 61 1.899 4.155 0.140 1.00 0.00 H new ATOM 0 HA CYS A 61 0.065 4.660 2.204 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.741 5.931 1.524 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.908 6.124 3.053 1.00 0.00 H new ATOM 0 HG CYS A 61 2.590 3.799 4.105 1.00 0.00 H new ATOM 557 N GLU A 62 0.554 7.126 0.076 1.00 0.00 N ATOM 558 CA GLU A 62 0.026 8.379 -0.421 1.00 0.00 C ATOM 559 C GLU A 62 -1.407 8.208 -0.918 1.00 0.00 C ATOM 560 O GLU A 62 -2.233 9.111 -0.790 1.00 0.00 O ATOM 561 CB GLU A 62 0.923 8.875 -1.547 1.00 0.00 C ATOM 562 CG GLU A 62 2.258 9.401 -1.058 1.00 0.00 C ATOM 563 CD GLU A 62 2.132 10.709 -0.305 1.00 0.00 C ATOM 564 OE1 GLU A 62 1.650 11.695 -0.905 1.00 0.00 O ATOM 565 OE2 GLU A 62 2.514 10.751 0.883 1.00 0.00 O ATOM 0 H GLU A 62 1.329 6.755 -0.474 1.00 0.00 H new ATOM 0 HA GLU A 62 0.009 9.109 0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.096 8.061 -2.251 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.407 9.664 -2.094 1.00 0.00 H new ATOM 0 HG2 GLU A 62 2.721 8.657 -0.410 1.00 0.00 H new ATOM 0 HG3 GLU A 62 2.923 9.540 -1.910 1.00 0.00 H new ATOM 572 N LEU A 63 -1.685 7.041 -1.492 1.00 0.00 N ATOM 573 CA LEU A 63 -3.007 6.733 -2.022 1.00 0.00 C ATOM 574 C LEU A 63 -4.079 6.783 -0.937 1.00 0.00 C ATOM 575 O LEU A 63 -5.068 7.504 -1.069 1.00 0.00 O ATOM 576 CB LEU A 63 -2.990 5.352 -2.677 1.00 0.00 C ATOM 577 CG LEU A 63 -4.362 4.743 -2.947 1.00 0.00 C ATOM 578 CD1 LEU A 63 -5.167 5.621 -3.893 1.00 0.00 C ATOM 579 CD2 LEU A 63 -4.221 3.339 -3.510 1.00 0.00 C ATOM 0 H LEU A 63 -1.005 6.288 -1.602 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.255 7.491 -2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.449 5.422 -3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.428 4.671 -2.038 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.899 4.682 -2.001 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.142 5.166 -4.071 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.302 6.607 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.635 5.720 -4.839 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.210 2.921 -3.696 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.661 3.376 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.691 2.711 -2.794 1.00 0.00 H new ATOM 591 N ILE A 64 -3.886 6.016 0.132 1.00 0.00 N ATOM 592 CA ILE A 64 -4.853 5.986 1.222 1.00 0.00 C ATOM 593 C ILE A 64 -5.005 7.367 1.844 1.00 0.00 C ATOM 594 O ILE A 64 -6.106 7.780 2.197 1.00 0.00 O ATOM 595 CB ILE A 64 -4.467 4.968 2.313 1.00 0.00 C ATOM 596 CG1 ILE A 64 -5.529 4.933 3.409 1.00 0.00 C ATOM 597 CG2 ILE A 64 -3.102 5.298 2.899 1.00 0.00 C ATOM 598 CD1 ILE A 64 -6.899 4.515 2.916 1.00 0.00 C ATOM 0 H ILE A 64 -3.075 5.412 0.266 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.804 5.674 0.791 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.410 3.980 1.856 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.209 4.245 4.191 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -5.602 5.921 3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.849 4.567 3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.351 5.270 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.127 6.294 3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.601 4.513 3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -7.241 5.216 2.155 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.842 3.514 2.488 1.00 0.00 H new ATOM 610 N ASN A 65 -3.895 8.085 1.964 1.00 0.00 N ATOM 611 CA ASN A 65 -3.918 9.426 2.529 1.00 0.00 C ATOM 612 C ASN A 65 -4.846 10.332 1.726 1.00 0.00 C ATOM 613 O ASN A 65 -5.386 11.306 2.251 1.00 0.00 O ATOM 614 CB ASN A 65 -2.503 10.009 2.585 1.00 0.00 C ATOM 615 CG ASN A 65 -1.863 9.815 3.947 1.00 0.00 C ATOM 616 OD1 ASN A 65 -0.844 8.965 4.022 1.00 0.00 O flip ATOM 617 ND2 ASN A 65 -2.291 10.414 4.932 1.00 0.00 N flip ATOM 0 H ASN A 65 -2.971 7.761 1.678 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.302 9.364 3.547 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.885 9.535 1.823 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.539 11.073 2.349 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -3.075 11.059 4.836 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.862 10.266 5.845 1.00 0.00 H new ATOM 624 N LYS A 66 -5.041 9.996 0.452 1.00 0.00 N ATOM 625 CA LYS A 66 -5.914 10.760 -0.417 1.00 0.00 C ATOM 626 C LYS A 66 -7.374 10.472 -0.090 1.00 0.00 C ATOM 627 O LYS A 66 -8.172 11.387 0.114 1.00 0.00 O ATOM 628 CB LYS A 66 -5.630 10.410 -1.873 1.00 0.00 C ATOM 629 CG LYS A 66 -4.247 10.813 -2.344 1.00 0.00 C ATOM 630 CD LYS A 66 -4.040 12.315 -2.239 1.00 0.00 C ATOM 631 CE LYS A 66 -4.923 13.073 -3.218 1.00 0.00 C ATOM 632 NZ LYS A 66 -4.721 14.545 -3.124 1.00 0.00 N ATOM 0 H LYS A 66 -4.600 9.193 0.003 1.00 0.00 H new ATOM 0 HA LYS A 66 -5.724 11.821 -0.259 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -5.750 9.335 -2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -6.374 10.895 -2.505 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.494 10.298 -1.748 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.107 10.496 -3.378 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -4.259 12.643 -1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.994 12.553 -2.433 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.707 12.741 -4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.969 12.837 -3.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.341 15.025 -3.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.952 14.866 -2.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.729 14.774 -3.337 1.00 0.00 H new ATOM 646 N LEU A 67 -7.709 9.186 -0.042 1.00 0.00 N ATOM 647 CA LEU A 67 -9.068 8.756 0.261 1.00 0.00 C ATOM 648 C LEU A 67 -9.395 8.997 1.729 1.00 0.00 C ATOM 649 O LEU A 67 -10.313 9.749 2.058 1.00 0.00 O ATOM 650 CB LEU A 67 -9.228 7.271 -0.070 1.00 0.00 C ATOM 651 CG LEU A 67 -8.899 6.890 -1.515 1.00 0.00 C ATOM 652 CD1 LEU A 67 -9.016 5.386 -1.709 1.00 0.00 C ATOM 653 CD2 LEU A 67 -9.812 7.627 -2.484 1.00 0.00 C ATOM 0 H LEU A 67 -7.054 8.422 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 67 -9.759 9.339 -0.347 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.586 6.695 0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -10.256 6.976 0.143 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.870 7.185 -1.723 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -8.779 5.133 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.320 4.878 -1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.034 5.068 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.563 7.343 -3.506 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -10.850 7.365 -2.277 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -9.679 8.702 -2.363 1.00 0.00 H new ATOM 665 N GLN A 68 -8.629 8.357 2.608 1.00 0.00 N ATOM 666 CA GLN A 68 -8.827 8.502 4.042 1.00 0.00 C ATOM 667 C GLN A 68 -8.011 9.676 4.582 1.00 0.00 C ATOM 668 O GLN A 68 -6.781 9.647 4.569 1.00 0.00 O ATOM 669 CB GLN A 68 -8.436 7.211 4.765 1.00 0.00 C ATOM 670 CG GLN A 68 -8.708 7.243 6.262 1.00 0.00 C ATOM 671 CD GLN A 68 -8.314 5.956 6.967 1.00 0.00 C ATOM 672 OE1 GLN A 68 -7.788 4.994 6.213 1.00 0.00 O flip ATOM 673 NE2 GLN A 68 -8.479 5.828 8.180 1.00 0.00 N flip ATOM 0 H GLN A 68 -7.865 7.733 2.349 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.883 8.702 4.224 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.982 6.378 4.323 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.375 7.020 4.601 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -8.163 8.075 6.707 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.769 7.432 6.429 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.886 6.590 8.723 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.209 4.960 8.643 1.00 0.00 H new ATOM 682 N PRO A 69 -8.692 10.729 5.057 1.00 0.00 N ATOM 683 CA PRO A 69 -8.039 11.922 5.599 1.00 0.00 C ATOM 684 C PRO A 69 -6.979 11.594 6.649 1.00 0.00 C ATOM 685 O PRO A 69 -7.253 10.894 7.624 1.00 0.00 O ATOM 686 CB PRO A 69 -9.192 12.685 6.245 1.00 0.00 C ATOM 687 CG PRO A 69 -10.403 12.261 5.502 1.00 0.00 C ATOM 688 CD PRO A 69 -10.159 10.842 5.086 1.00 0.00 C ATOM 0 HA PRO A 69 -7.508 12.476 4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.277 12.447 7.305 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -9.042 13.762 6.171 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.291 12.336 6.129 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.571 12.898 4.634 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -10.600 10.137 5.791 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.595 10.631 4.110 1.00 0.00 H new ATOM 696 N GLY A 70 -5.773 12.123 6.450 1.00 0.00 N ATOM 697 CA GLY A 70 -4.689 11.896 7.393 1.00 0.00 C ATOM 698 C GLY A 70 -4.440 10.428 7.681 1.00 0.00 C ATOM 699 O GLY A 70 -4.462 10.008 8.839 1.00 0.00 O ATOM 0 H GLY A 70 -5.527 12.706 5.650 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.775 12.342 6.999 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.917 12.409 8.328 1.00 0.00 H new ATOM 703 N SER A 71 -4.195 9.643 6.636 1.00 0.00 N ATOM 704 CA SER A 71 -3.937 8.218 6.802 1.00 0.00 C ATOM 705 C SER A 71 -2.558 7.979 7.407 1.00 0.00 C ATOM 706 O SER A 71 -2.422 7.793 8.616 1.00 0.00 O ATOM 707 CB SER A 71 -4.050 7.494 5.460 1.00 0.00 C ATOM 708 OG SER A 71 -5.359 7.602 4.930 1.00 0.00 O ATOM 0 H SER A 71 -4.170 9.969 5.670 1.00 0.00 H new ATOM 0 HA SER A 71 -4.687 7.819 7.485 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.333 7.915 4.755 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.792 6.443 5.588 1.00 0.00 H new ATOM 0 HG SER A 71 -5.706 8.503 5.097 1.00 0.00 H new ATOM 714 N VAL A 72 -1.537 7.973 6.554 1.00 0.00 N ATOM 715 CA VAL A 72 -0.170 7.744 7.001 1.00 0.00 C ATOM 716 C VAL A 72 0.522 9.057 7.382 1.00 0.00 C ATOM 717 O VAL A 72 1.155 9.146 8.434 1.00 0.00 O ATOM 718 CB VAL A 72 0.654 6.975 5.933 1.00 0.00 C ATOM 719 CG1 VAL A 72 -0.265 6.233 4.974 1.00 0.00 C ATOM 720 CG2 VAL A 72 1.615 7.875 5.169 1.00 0.00 C ATOM 0 H VAL A 72 -1.633 8.124 5.550 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.222 7.122 7.895 1.00 0.00 H new ATOM 0 HB VAL A 72 1.264 6.250 6.471 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.334 5.701 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.872 5.519 5.531 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.916 6.946 4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.164 7.283 4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.053 8.656 4.657 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.318 8.332 5.866 1.00 0.00 H new ATOM 730 N GLN A 73 0.385 10.073 6.527 1.00 0.00 N ATOM 731 CA GLN A 73 0.984 11.385 6.774 1.00 0.00 C ATOM 732 C GLN A 73 2.512 11.323 6.859 1.00 0.00 C ATOM 733 O GLN A 73 3.081 10.346 7.346 1.00 0.00 O ATOM 734 CB GLN A 73 0.418 11.995 8.058 1.00 0.00 C ATOM 735 CG GLN A 73 -1.059 12.342 7.967 1.00 0.00 C ATOM 736 CD GLN A 73 -1.343 13.403 6.921 1.00 0.00 C ATOM 737 OE1 GLN A 73 -2.157 13.057 5.931 1.00 0.00 O flip ATOM 738 NE2 GLN A 73 -0.835 14.522 7.002 1.00 0.00 N flip ATOM 0 H GLN A 73 -0.138 10.011 5.654 1.00 0.00 H new ATOM 0 HA GLN A 73 0.728 12.016 5.923 1.00 0.00 H new ATOM 0 HB2 GLN A 73 0.568 11.295 8.880 1.00 0.00 H new ATOM 0 HB3 GLN A 73 0.980 12.897 8.301 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -1.626 11.442 7.730 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -1.407 12.692 8.939 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -0.215 14.745 7.780 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.035 15.225 6.291 1.00 0.00 H new ATOM 747 N LYS A 74 3.157 12.393 6.389 1.00 0.00 N ATOM 748 CA LYS A 74 4.618 12.517 6.405 1.00 0.00 C ATOM 749 C LYS A 74 5.293 11.591 5.399 1.00 0.00 C ATOM 750 O LYS A 74 5.888 12.052 4.424 1.00 0.00 O ATOM 751 CB LYS A 74 5.163 12.243 7.809 1.00 0.00 C ATOM 752 CG LYS A 74 4.626 13.195 8.867 1.00 0.00 C ATOM 753 CD LYS A 74 5.188 12.889 10.250 1.00 0.00 C ATOM 754 CE LYS A 74 6.678 13.192 10.345 1.00 0.00 C ATOM 755 NZ LYS A 74 7.495 12.282 9.495 1.00 0.00 N ATOM 0 H LYS A 74 2.681 13.200 5.986 1.00 0.00 H new ATOM 0 HA LYS A 74 4.851 13.542 6.115 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.915 11.220 8.093 1.00 0.00 H new ATOM 0 HB3 LYS A 74 6.251 12.313 7.788 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.876 14.220 8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.538 13.129 8.895 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.651 13.475 10.996 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.017 11.839 10.486 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.856 14.224 10.044 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.999 13.102 11.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 8.385 12.057 9.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.966 11.405 9.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 7.706 12.749 8.590 1.00 0.00 H new ATOM 769 N VAL A 75 5.206 10.293 5.648 1.00 0.00 N ATOM 770 CA VAL A 75 5.817 9.290 4.777 1.00 0.00 C ATOM 771 C VAL A 75 7.341 9.402 4.790 1.00 0.00 C ATOM 772 O VAL A 75 7.900 10.453 4.479 1.00 0.00 O ATOM 773 CB VAL A 75 5.322 9.425 3.324 1.00 0.00 C ATOM 774 CG1 VAL A 75 5.937 8.345 2.446 1.00 0.00 C ATOM 775 CG2 VAL A 75 3.806 9.369 3.266 1.00 0.00 C ATOM 0 H VAL A 75 4.715 9.903 6.452 1.00 0.00 H new ATOM 0 HA VAL A 75 5.520 8.316 5.167 1.00 0.00 H new ATOM 0 HB VAL A 75 5.640 10.395 2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.575 8.457 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.023 8.440 2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.654 7.363 2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.478 9.466 2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.461 8.416 3.668 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.389 10.184 3.857 1.00 0.00 H new ATOM 785 N ASN A 76 8.006 8.307 5.147 1.00 0.00 N ATOM 786 CA ASN A 76 9.465 8.278 5.195 1.00 0.00 C ATOM 787 C ASN A 76 10.050 7.886 3.842 1.00 0.00 C ATOM 788 O ASN A 76 9.573 6.950 3.199 1.00 0.00 O ATOM 789 CB ASN A 76 9.947 7.291 6.261 1.00 0.00 C ATOM 790 CG ASN A 76 9.401 7.604 7.639 1.00 0.00 C ATOM 791 OD1 ASN A 76 8.722 6.631 8.237 1.00 0.00 O flip ATOM 792 ND2 ASN A 76 9.594 8.700 8.164 1.00 0.00 N flip ATOM 0 H ASN A 76 7.558 7.428 5.407 1.00 0.00 H new ATOM 0 HA ASN A 76 9.807 9.281 5.449 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.648 6.282 5.977 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.036 7.303 6.295 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.122 9.418 7.667 1.00 0.00 H new ATOM 0 HD22 ASN A 76 9.226 8.891 9.096 1.00 0.00 H new ATOM 799 N ASP A 77 11.095 8.591 3.422 1.00 0.00 N ATOM 800 CA ASP A 77 11.750 8.296 2.154 1.00 0.00 C ATOM 801 C ASP A 77 12.423 6.926 2.219 1.00 0.00 C ATOM 802 O ASP A 77 13.064 6.595 3.215 1.00 0.00 O ATOM 803 CB ASP A 77 12.784 9.374 1.822 1.00 0.00 C ATOM 804 CG ASP A 77 12.164 10.751 1.683 1.00 0.00 C ATOM 805 OD1 ASP A 77 10.930 10.867 1.839 1.00 0.00 O ATOM 806 OD2 ASP A 77 12.914 11.714 1.416 1.00 0.00 O ATOM 0 H ASP A 77 11.505 9.368 3.940 1.00 0.00 H new ATOM 0 HA ASP A 77 10.996 8.284 1.367 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.543 9.398 2.604 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.292 9.112 0.894 1.00 0.00 H new ATOM 811 N PRO A 78 12.276 6.102 1.165 1.00 0.00 N ATOM 812 CA PRO A 78 12.867 4.758 1.123 1.00 0.00 C ATOM 813 C PRO A 78 14.381 4.778 0.916 1.00 0.00 C ATOM 814 O PRO A 78 14.914 4.009 0.115 1.00 0.00 O ATOM 815 CB PRO A 78 12.169 4.113 -0.074 1.00 0.00 C ATOM 816 CG PRO A 78 11.844 5.254 -0.972 1.00 0.00 C ATOM 817 CD PRO A 78 11.512 6.405 -0.062 1.00 0.00 C ATOM 0 HA PRO A 78 12.728 4.224 2.063 1.00 0.00 H new ATOM 0 HB2 PRO A 78 12.817 3.390 -0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 78 11.269 3.579 0.231 1.00 0.00 H new ATOM 0 HG2 PRO A 78 12.688 5.496 -1.618 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.003 5.013 -1.622 1.00 0.00 H new ATOM 0 HD2 PRO A 78 11.810 7.359 -0.496 1.00 0.00 H new ATOM 0 HD3 PRO A 78 10.442 6.465 0.136 1.00 0.00 H new ATOM 825 N VAL A 79 15.071 5.654 1.642 1.00 0.00 N ATOM 826 CA VAL A 79 16.521 5.761 1.534 1.00 0.00 C ATOM 827 C VAL A 79 17.203 4.510 2.080 1.00 0.00 C ATOM 828 O VAL A 79 17.909 3.809 1.355 1.00 0.00 O ATOM 829 CB VAL A 79 17.049 6.990 2.300 1.00 0.00 C ATOM 830 CG1 VAL A 79 18.556 7.121 2.132 1.00 0.00 C ATOM 831 CG2 VAL A 79 16.342 8.254 1.835 1.00 0.00 C ATOM 0 H VAL A 79 14.649 6.299 2.310 1.00 0.00 H new ATOM 0 HA VAL A 79 16.755 5.870 0.475 1.00 0.00 H new ATOM 0 HB VAL A 79 16.837 6.851 3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 79 18.909 7.995 2.680 1.00 0.00 H new ATOM 0 HG12 VAL A 79 19.044 6.227 2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.796 7.235 1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 79 16.728 9.111 2.387 1.00 0.00 H new ATOM 0 HG22 VAL A 79 16.519 8.399 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 79 15.271 8.159 2.015 1.00 0.00 H new ATOM 841 N GLN A 80 16.979 4.236 3.361 1.00 0.00 N ATOM 842 CA GLN A 80 17.563 3.069 4.011 1.00 0.00 C ATOM 843 C GLN A 80 16.752 1.811 3.701 1.00 0.00 C ATOM 844 O GLN A 80 16.667 1.390 2.547 1.00 0.00 O ATOM 845 CB GLN A 80 17.657 3.291 5.523 1.00 0.00 C ATOM 846 CG GLN A 80 18.553 4.456 5.912 1.00 0.00 C ATOM 847 CD GLN A 80 19.985 4.274 5.444 1.00 0.00 C ATOM 848 OE1 GLN A 80 20.656 3.315 5.823 1.00 0.00 O ATOM 849 NE2 GLN A 80 20.459 5.198 4.616 1.00 0.00 N ATOM 0 H GLN A 80 16.395 4.808 3.971 1.00 0.00 H new ATOM 0 HA GLN A 80 18.570 2.927 3.619 1.00 0.00 H new ATOM 0 HB2 GLN A 80 16.657 3.465 5.919 1.00 0.00 H new ATOM 0 HB3 GLN A 80 18.033 2.382 5.993 1.00 0.00 H new ATOM 0 HG2 GLN A 80 18.151 5.376 5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 80 18.541 4.572 6.996 1.00 0.00 H new ATOM 0 HE21 GLN A 80 19.867 5.977 4.328 1.00 0.00 H new ATOM 0 HE22 GLN A 80 21.415 5.129 4.268 1.00 0.00 H new ATOM 858 N ASN A 81 16.159 1.212 4.733 1.00 0.00 N ATOM 859 CA ASN A 81 15.364 0.003 4.557 1.00 0.00 C ATOM 860 C ASN A 81 14.187 -0.027 5.528 1.00 0.00 C ATOM 861 O ASN A 81 13.077 -0.409 5.158 1.00 0.00 O ATOM 862 CB ASN A 81 16.233 -1.240 4.760 1.00 0.00 C ATOM 863 CG ASN A 81 17.387 -1.306 3.779 1.00 0.00 C ATOM 864 OD1 ASN A 81 17.185 -1.348 2.565 1.00 0.00 O ATOM 865 ND2 ASN A 81 18.608 -1.315 4.301 1.00 0.00 N ATOM 0 H ASN A 81 16.215 1.545 5.696 1.00 0.00 H new ATOM 0 HA ASN A 81 14.973 0.006 3.540 1.00 0.00 H new ATOM 0 HB2 ASN A 81 16.624 -1.244 5.777 1.00 0.00 H new ATOM 0 HB3 ASN A 81 15.617 -2.132 4.652 1.00 0.00 H new ATOM 0 HD21 ASN A 81 19.424 -1.358 3.690 1.00 0.00 H new ATOM 0 HD22 ASN A 81 18.730 -1.279 5.313 1.00 0.00 H new ATOM 872 N TRP A 82 14.434 0.374 6.773 1.00 0.00 N ATOM 873 CA TRP A 82 13.387 0.384 7.789 1.00 0.00 C ATOM 874 C TRP A 82 12.261 1.339 7.402 1.00 0.00 C ATOM 875 O TRP A 82 11.103 1.115 7.755 1.00 0.00 O ATOM 876 CB TRP A 82 13.963 0.751 9.164 1.00 0.00 C ATOM 877 CG TRP A 82 14.424 2.172 9.286 1.00 0.00 C ATOM 878 CD1 TRP A 82 15.709 2.626 9.204 1.00 0.00 C ATOM 879 CD2 TRP A 82 13.609 3.321 9.553 1.00 0.00 C ATOM 880 NE1 TRP A 82 15.741 3.988 9.381 1.00 0.00 N ATOM 881 CE2 TRP A 82 14.466 4.438 9.600 1.00 0.00 C ATOM 882 CE3 TRP A 82 12.239 3.516 9.747 1.00 0.00 C ATOM 883 CZ2 TRP A 82 13.996 5.728 9.836 1.00 0.00 C ATOM 884 CZ3 TRP A 82 11.774 4.796 9.983 1.00 0.00 C ATOM 885 CH2 TRP A 82 12.650 5.887 10.024 1.00 0.00 C ATOM 0 H TRP A 82 15.345 0.694 7.100 1.00 0.00 H new ATOM 0 HA TRP A 82 12.971 -0.621 7.853 1.00 0.00 H new ATOM 0 HB2 TRP A 82 13.205 0.562 9.924 1.00 0.00 H new ATOM 0 HB3 TRP A 82 14.802 0.090 9.380 1.00 0.00 H new ATOM 0 HD1 TRP A 82 16.574 2.005 9.026 1.00 0.00 H new ATOM 0 HE1 TRP A 82 16.578 4.570 9.354 1.00 0.00 H new ATOM 0 HE3 TRP A 82 11.555 2.681 9.713 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 14.669 6.572 9.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 10.717 4.957 10.138 1.00 0.00 H new ATOM 0 HH2 TRP A 82 12.255 6.875 10.208 1.00 0.00 H new ATOM 896 N HIS A 83 12.603 2.400 6.671 1.00 0.00 N ATOM 897 CA HIS A 83 11.607 3.377 6.237 1.00 0.00 C ATOM 898 C HIS A 83 10.446 2.677 5.540 1.00 0.00 C ATOM 899 O HIS A 83 9.281 2.958 5.819 1.00 0.00 O ATOM 900 CB HIS A 83 12.222 4.404 5.282 1.00 0.00 C ATOM 901 CG HIS A 83 13.355 5.193 5.864 1.00 0.00 C ATOM 902 ND1 HIS A 83 14.590 4.650 6.141 1.00 0.00 N ATOM 903 CD2 HIS A 83 13.437 6.502 6.203 1.00 0.00 C ATOM 904 CE1 HIS A 83 15.384 5.591 6.623 1.00 0.00 C ATOM 905 NE2 HIS A 83 14.709 6.723 6.669 1.00 0.00 N ATOM 0 H HIS A 83 13.556 2.603 6.369 1.00 0.00 H new ATOM 0 HA HIS A 83 11.243 3.895 7.124 1.00 0.00 H new ATOM 0 HB2 HIS A 83 12.577 3.886 4.391 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.442 5.095 4.960 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.648 7.235 6.122 1.00 0.00 H new ATOM 0 HE1 HIS A 83 16.411 5.456 6.927 1.00 0.00 H new ATOM 0 HE2 HIS A 83 15.073 7.617 6.997 1.00 0.00 H new ATOM 914 N LYS A 84 10.776 1.760 4.633 1.00 0.00 N ATOM 915 CA LYS A 84 9.765 1.013 3.895 1.00 0.00 C ATOM 916 C LYS A 84 8.836 0.279 4.855 1.00 0.00 C ATOM 917 O LYS A 84 7.617 0.346 4.729 1.00 0.00 O ATOM 918 CB LYS A 84 10.427 0.006 2.952 1.00 0.00 C ATOM 919 CG LYS A 84 11.397 0.630 1.962 1.00 0.00 C ATOM 920 CD LYS A 84 12.034 -0.428 1.074 1.00 0.00 C ATOM 921 CE LYS A 84 13.020 0.187 0.093 1.00 0.00 C ATOM 922 NZ LYS A 84 13.650 -0.842 -0.780 1.00 0.00 N ATOM 0 H LYS A 84 11.737 1.518 4.393 1.00 0.00 H new ATOM 0 HA LYS A 84 9.181 1.722 3.308 1.00 0.00 H new ATOM 0 HB2 LYS A 84 10.959 -0.737 3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 84 9.651 -0.523 2.400 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.872 1.359 1.344 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.174 1.171 2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 84 12.547 -1.164 1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.257 -0.960 0.525 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.506 0.922 -0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 84 13.795 0.720 0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.315 -0.382 -1.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 14.162 -1.530 -0.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 12.913 -1.334 -1.325 1.00 0.00 H new ATOM 936 N LEU A 85 9.432 -0.421 5.814 1.00 0.00 N ATOM 937 CA LEU A 85 8.678 -1.175 6.805 1.00 0.00 C ATOM 938 C LEU A 85 7.715 -0.270 7.568 1.00 0.00 C ATOM 939 O LEU A 85 6.650 -0.707 8.005 1.00 0.00 O ATOM 940 CB LEU A 85 9.644 -1.851 7.777 1.00 0.00 C ATOM 941 CG LEU A 85 10.622 -2.841 7.140 1.00 0.00 C ATOM 942 CD1 LEU A 85 11.573 -3.399 8.188 1.00 0.00 C ATOM 943 CD2 LEU A 85 9.869 -3.968 6.448 1.00 0.00 C ATOM 0 H LEU A 85 10.444 -0.481 5.925 1.00 0.00 H new ATOM 0 HA LEU A 85 8.089 -1.933 6.289 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.217 -1.079 8.291 1.00 0.00 H new ATOM 0 HB3 LEU A 85 9.063 -2.376 8.536 1.00 0.00 H new ATOM 0 HG LEU A 85 11.208 -2.310 6.390 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.261 -4.101 7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 85 12.138 -2.583 8.638 1.00 0.00 H new ATOM 0 HD13 LEU A 85 11.002 -3.913 8.961 1.00 0.00 H new ATOM 0 HD21 LEU A 85 10.582 -4.661 6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.256 -4.498 7.177 1.00 0.00 H new ATOM 0 HD23 LEU A 85 9.229 -3.553 5.669 1.00 0.00 H new ATOM 955 N GLU A 86 8.101 0.991 7.728 1.00 0.00 N ATOM 956 CA GLU A 86 7.280 1.961 8.443 1.00 0.00 C ATOM 957 C GLU A 86 6.096 2.406 7.594 1.00 0.00 C ATOM 958 O GLU A 86 4.955 2.411 8.057 1.00 0.00 O ATOM 959 CB GLU A 86 8.115 3.169 8.844 1.00 0.00 C ATOM 960 CG GLU A 86 7.359 4.151 9.719 1.00 0.00 C ATOM 961 CD GLU A 86 6.798 3.505 10.971 1.00 0.00 C ATOM 962 OE1 GLU A 86 7.594 2.974 11.773 1.00 0.00 O ATOM 963 OE2 GLU A 86 5.561 3.531 11.149 1.00 0.00 O ATOM 0 H GLU A 86 8.980 1.366 7.371 1.00 0.00 H new ATOM 0 HA GLU A 86 6.897 1.479 9.342 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.004 2.829 9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.457 3.681 7.945 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.025 4.966 10.002 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.543 4.590 9.145 1.00 0.00 H new ATOM 970 N ASN A 87 6.376 2.782 6.351 1.00 0.00 N ATOM 971 CA ASN A 87 5.341 3.229 5.438 1.00 0.00 C ATOM 972 C ASN A 87 4.319 2.127 5.198 1.00 0.00 C ATOM 973 O ASN A 87 3.113 2.372 5.216 1.00 0.00 O ATOM 974 CB ASN A 87 5.966 3.661 4.116 1.00 0.00 C ATOM 975 CG ASN A 87 6.969 4.782 4.290 1.00 0.00 C ATOM 976 OD1 ASN A 87 6.632 5.862 4.774 1.00 0.00 O ATOM 977 ND2 ASN A 87 8.212 4.531 3.893 1.00 0.00 N ATOM 0 H ASN A 87 7.316 2.785 5.955 1.00 0.00 H new ATOM 0 HA ASN A 87 4.828 4.079 5.887 1.00 0.00 H new ATOM 0 HB2 ASN A 87 6.458 2.806 3.653 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.179 3.984 3.434 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.931 5.249 3.984 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.447 3.621 3.497 1.00 0.00 H new ATOM 984 N ILE A 88 4.807 0.910 4.980 1.00 0.00 N ATOM 985 CA ILE A 88 3.923 -0.224 4.744 1.00 0.00 C ATOM 986 C ILE A 88 2.990 -0.424 5.931 1.00 0.00 C ATOM 987 O ILE A 88 1.806 -0.716 5.763 1.00 0.00 O ATOM 988 CB ILE A 88 4.707 -1.526 4.488 1.00 0.00 C ATOM 989 CG1 ILE A 88 5.652 -1.357 3.295 1.00 0.00 C ATOM 990 CG2 ILE A 88 3.741 -2.676 4.245 1.00 0.00 C ATOM 991 CD1 ILE A 88 6.515 -2.573 3.025 1.00 0.00 C ATOM 0 H ILE A 88 5.802 0.685 4.962 1.00 0.00 H new ATOM 0 HA ILE A 88 3.343 0.004 3.850 1.00 0.00 H new ATOM 0 HB ILE A 88 5.307 -1.753 5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.063 -1.135 2.405 1.00 0.00 H new ATOM 0 HG13 ILE A 88 6.297 -0.497 3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.304 -3.592 4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.104 -2.807 5.120 1.00 0.00 H new ATOM 0 HG23 ILE A 88 3.122 -2.454 3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.158 -2.379 2.166 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.131 -2.783 3.899 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.878 -3.432 2.815 1.00 0.00 H new ATOM 1003 N GLY A 89 3.535 -0.258 7.131 1.00 0.00 N ATOM 1004 CA GLY A 89 2.743 -0.413 8.334 1.00 0.00 C ATOM 1005 C GLY A 89 1.610 0.592 8.408 1.00 0.00 C ATOM 1006 O GLY A 89 0.492 0.244 8.779 1.00 0.00 O ATOM 0 H GLY A 89 4.513 -0.018 7.291 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.334 -1.423 8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 89 3.385 -0.298 9.207 1.00 0.00 H new ATOM 1010 N ASN A 90 1.903 1.840 8.051 1.00 0.00 N ATOM 1011 CA ASN A 90 0.903 2.904 8.076 1.00 0.00 C ATOM 1012 C ASN A 90 -0.246 2.610 7.116 1.00 0.00 C ATOM 1013 O ASN A 90 -1.414 2.802 7.452 1.00 0.00 O ATOM 1014 CB ASN A 90 1.545 4.247 7.713 1.00 0.00 C ATOM 1015 CG ASN A 90 2.548 4.713 8.745 1.00 0.00 C ATOM 1016 OD1 ASN A 90 2.248 4.781 9.937 1.00 0.00 O ATOM 1017 ND2 ASN A 90 3.744 5.059 8.287 1.00 0.00 N ATOM 0 H ASN A 90 2.827 2.140 7.740 1.00 0.00 H new ATOM 0 HA ASN A 90 0.501 2.955 9.088 1.00 0.00 H new ATOM 0 HB2 ASN A 90 2.040 4.159 6.746 1.00 0.00 H new ATOM 0 HB3 ASN A 90 0.765 5.000 7.605 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.458 5.398 8.931 1.00 0.00 H new ATOM 0 HD22 ASN A 90 3.949 4.986 7.290 1.00 0.00 H new ATOM 1024 N PHE A 91 0.095 2.157 5.916 1.00 0.00 N ATOM 1025 CA PHE A 91 -0.904 1.850 4.898 1.00 0.00 C ATOM 1026 C PHE A 91 -1.816 0.703 5.332 1.00 0.00 C ATOM 1027 O PHE A 91 -3.039 0.800 5.233 1.00 0.00 O ATOM 1028 CB PHE A 91 -0.215 1.492 3.579 1.00 0.00 C ATOM 1029 CG PHE A 91 -1.166 1.173 2.460 1.00 0.00 C ATOM 1030 CD1 PHE A 91 -2.199 2.039 2.139 1.00 0.00 C ATOM 1031 CD2 PHE A 91 -1.025 0.005 1.727 1.00 0.00 C ATOM 1032 CE1 PHE A 91 -3.074 1.746 1.111 1.00 0.00 C ATOM 1033 CE2 PHE A 91 -1.897 -0.293 0.697 1.00 0.00 C ATOM 1034 CZ PHE A 91 -2.923 0.579 0.389 1.00 0.00 C ATOM 0 H PHE A 91 1.058 1.993 5.623 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.521 2.738 4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.421 2.324 3.276 1.00 0.00 H new ATOM 0 HB3 PHE A 91 0.438 0.635 3.743 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.322 2.954 2.699 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -0.224 -0.680 1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -3.876 2.429 0.872 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -1.776 -1.207 0.134 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.606 0.348 -0.415 1.00 0.00 H new ATOM 1044 N LEU A 92 -1.213 -0.385 5.797 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.965 -1.558 6.227 1.00 0.00 C ATOM 1046 C LEU A 92 -2.777 -1.299 7.489 1.00 0.00 C ATOM 1047 O LEU A 92 -3.936 -1.694 7.571 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.010 -2.726 6.438 1.00 0.00 C ATOM 1049 CG LEU A 92 -0.453 -3.319 5.148 1.00 0.00 C ATOM 1050 CD1 LEU A 92 0.727 -4.230 5.444 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.539 -4.080 4.401 1.00 0.00 C ATOM 0 H LEU A 92 -0.201 -0.479 5.886 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.679 -1.801 5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -0.179 -2.394 7.060 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.529 -3.509 6.991 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.105 -2.502 4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 92 1.110 -4.643 4.511 1.00 0.00 H new ATOM 0 HD12 LEU A 92 1.513 -3.659 5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.405 -5.042 6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.125 -4.497 3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.915 -4.888 5.029 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -2.356 -3.401 4.155 1.00 0.00 H new ATOM 1063 N ARG A 93 -2.176 -0.644 8.474 1.00 0.00 N ATOM 1064 CA ARG A 93 -2.879 -0.353 9.718 1.00 0.00 C ATOM 1065 C ARG A 93 -4.105 0.506 9.442 1.00 0.00 C ATOM 1066 O ARG A 93 -5.160 0.322 10.050 1.00 0.00 O ATOM 1067 CB ARG A 93 -1.958 0.356 10.713 1.00 0.00 C ATOM 1068 CG ARG A 93 -1.512 1.726 10.259 1.00 0.00 C ATOM 1069 CD ARG A 93 -0.557 2.348 11.261 1.00 0.00 C ATOM 1070 NE ARG A 93 -1.171 2.512 12.576 1.00 0.00 N ATOM 1071 CZ ARG A 93 -0.542 3.037 13.623 1.00 0.00 C ATOM 1072 NH1 ARG A 93 0.714 3.448 13.510 1.00 0.00 N ATOM 1073 NH2 ARG A 93 -1.170 3.152 14.786 1.00 0.00 N ATOM 0 H ARG A 93 -1.214 -0.307 8.438 1.00 0.00 H new ATOM 0 HA ARG A 93 -3.197 -1.299 10.157 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -2.474 0.450 11.669 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.078 -0.264 10.885 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -1.025 1.650 9.287 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.381 2.371 10.131 1.00 0.00 H new ATOM 0 HD2 ARG A 93 0.331 1.722 11.351 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.227 3.319 10.892 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.137 2.207 12.698 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.200 3.362 12.618 1.00 0.00 H new ATOM 0 HH12 ARG A 93 1.193 3.850 14.315 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -2.136 2.838 14.877 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.687 3.555 15.589 1.00 0.00 H new ATOM 1087 N ALA A 94 -3.948 1.448 8.521 1.00 0.00 N ATOM 1088 CA ALA A 94 -5.026 2.352 8.151 1.00 0.00 C ATOM 1089 C ALA A 94 -6.149 1.630 7.410 1.00 0.00 C ATOM 1090 O ALA A 94 -7.320 1.831 7.718 1.00 0.00 O ATOM 1091 CB ALA A 94 -4.484 3.491 7.302 1.00 0.00 C ATOM 0 H ALA A 94 -3.077 1.605 8.014 1.00 0.00 H new ATOM 0 HA ALA A 94 -5.448 2.755 9.072 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.299 4.162 7.030 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -3.734 4.042 7.869 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -4.030 3.086 6.397 1.00 0.00 H new ATOM 1097 N ILE A 95 -5.790 0.806 6.425 1.00 0.00 N ATOM 1098 CA ILE A 95 -6.788 0.078 5.636 1.00 0.00 C ATOM 1099 C ILE A 95 -7.436 -1.051 6.435 1.00 0.00 C ATOM 1100 O ILE A 95 -8.642 -1.278 6.340 1.00 0.00 O ATOM 1101 CB ILE A 95 -6.185 -0.505 4.338 1.00 0.00 C ATOM 1102 CG1 ILE A 95 -5.208 -1.649 4.646 1.00 0.00 C ATOM 1103 CG2 ILE A 95 -5.493 0.591 3.542 1.00 0.00 C ATOM 1104 CD1 ILE A 95 -4.670 -2.333 3.408 1.00 0.00 C ATOM 0 H ILE A 95 -4.823 0.626 6.155 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.552 0.810 5.374 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.998 -0.914 3.738 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.373 -1.257 5.227 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -5.711 -2.388 5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.072 0.168 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -6.216 1.365 3.283 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -4.694 1.027 4.142 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -3.987 -3.130 3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.497 -2.755 2.837 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.138 -1.607 2.793 1.00 0.00 H new ATOM 1116 N LYS A 96 -6.627 -1.758 7.213 1.00 0.00 N ATOM 1117 CA LYS A 96 -7.110 -2.872 8.023 1.00 0.00 C ATOM 1118 C LYS A 96 -8.190 -2.400 8.989 1.00 0.00 C ATOM 1119 O LYS A 96 -9.153 -3.116 9.262 1.00 0.00 O ATOM 1120 CB LYS A 96 -5.943 -3.513 8.783 1.00 0.00 C ATOM 1121 CG LYS A 96 -6.308 -4.798 9.509 1.00 0.00 C ATOM 1122 CD LYS A 96 -5.083 -5.455 10.136 1.00 0.00 C ATOM 1123 CE LYS A 96 -5.465 -6.694 10.931 1.00 0.00 C ATOM 1124 NZ LYS A 96 -6.383 -6.372 12.057 1.00 0.00 N ATOM 0 H LYS A 96 -5.627 -1.579 7.301 1.00 0.00 H new ATOM 0 HA LYS A 96 -7.549 -3.622 7.365 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -5.136 -3.722 8.080 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -5.557 -2.796 9.507 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -7.043 -4.582 10.284 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -6.776 -5.491 8.810 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.374 -5.727 9.354 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -4.580 -4.742 10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -5.942 -7.417 10.269 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.564 -7.166 11.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -6.830 -7.246 12.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.844 -5.932 12.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.118 -5.713 11.729 1.00 0.00 H new ATOM 1138 N HIS A 97 -8.022 -1.184 9.493 1.00 0.00 N ATOM 1139 CA HIS A 97 -8.979 -0.592 10.420 1.00 0.00 C ATOM 1140 C HIS A 97 -10.045 0.186 9.660 1.00 0.00 C ATOM 1141 O HIS A 97 -11.198 0.264 10.084 1.00 0.00 O ATOM 1142 CB HIS A 97 -8.259 0.336 11.396 1.00 0.00 C ATOM 1143 CG HIS A 97 -9.151 0.898 12.459 1.00 0.00 C ATOM 1144 ND1 HIS A 97 -9.838 0.111 13.359 1.00 0.00 N ATOM 1145 CD2 HIS A 97 -9.469 2.180 12.764 1.00 0.00 C ATOM 1146 CE1 HIS A 97 -10.540 0.883 14.171 1.00 0.00 C ATOM 1147 NE2 HIS A 97 -10.332 2.141 13.831 1.00 0.00 N ATOM 0 H HIS A 97 -7.226 -0.585 9.274 1.00 0.00 H new ATOM 0 HA HIS A 97 -9.461 -1.395 10.978 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -7.444 -0.211 11.870 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.810 1.158 10.838 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -9.111 3.066 12.262 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -11.175 0.542 14.975 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -10.746 2.954 14.288 1.00 0.00 H new ATOM 1156 N TYR A 98 -9.638 0.770 8.537 1.00 0.00 N ATOM 1157 CA TYR A 98 -10.538 1.563 7.704 1.00 0.00 C ATOM 1158 C TYR A 98 -11.813 0.795 7.376 1.00 0.00 C ATOM 1159 O TYR A 98 -12.912 1.348 7.441 1.00 0.00 O ATOM 1160 CB TYR A 98 -9.841 1.976 6.405 1.00 0.00 C ATOM 1161 CG TYR A 98 -10.670 2.891 5.530 1.00 0.00 C ATOM 1162 CD1 TYR A 98 -11.136 4.110 6.009 1.00 0.00 C ATOM 1163 CD2 TYR A 98 -10.988 2.533 4.225 1.00 0.00 C ATOM 1164 CE1 TYR A 98 -11.896 4.946 5.213 1.00 0.00 C ATOM 1165 CE2 TYR A 98 -11.747 3.365 3.423 1.00 0.00 C ATOM 1166 CZ TYR A 98 -12.198 4.569 3.921 1.00 0.00 C ATOM 1167 OH TYR A 98 -12.954 5.399 3.126 1.00 0.00 O ATOM 0 H TYR A 98 -8.684 0.709 8.181 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.808 2.455 8.270 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -8.903 2.475 6.650 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -9.587 1.080 5.839 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -10.900 4.409 7.020 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.637 1.591 3.832 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -12.251 5.889 5.600 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.986 3.073 2.411 1.00 0.00 H new ATOM 0 HH TYR A 98 -13.075 4.987 2.245 1.00 0.00 H new ATOM 1177 N GLY A 99 -11.665 -0.477 7.018 1.00 0.00 N ATOM 1178 CA GLY A 99 -12.827 -1.278 6.682 1.00 0.00 C ATOM 1179 C GLY A 99 -12.490 -2.717 6.343 1.00 0.00 C ATOM 1180 O GLY A 99 -13.191 -3.635 6.766 1.00 0.00 O ATOM 0 H GLY A 99 -10.770 -0.963 6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -13.523 -1.264 7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -13.339 -0.823 5.834 1.00 0.00 H new ATOM 1184 N VAL A 100 -11.427 -2.917 5.566 1.00 0.00 N ATOM 1185 CA VAL A 100 -11.028 -4.262 5.170 1.00 0.00 C ATOM 1186 C VAL A 100 -10.833 -5.152 6.395 1.00 0.00 C ATOM 1187 O VAL A 100 -10.031 -4.848 7.278 1.00 0.00 O ATOM 1188 CB VAL A 100 -9.732 -4.249 4.332 1.00 0.00 C ATOM 1189 CG1 VAL A 100 -9.501 -5.616 3.701 1.00 0.00 C ATOM 1190 CG2 VAL A 100 -9.801 -3.176 3.256 1.00 0.00 C ATOM 0 H VAL A 100 -10.833 -2.172 5.202 1.00 0.00 H new ATOM 0 HA VAL A 100 -11.832 -4.665 4.554 1.00 0.00 H new ATOM 0 HB VAL A 100 -8.895 -4.020 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -8.584 -5.595 3.112 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -9.412 -6.368 4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -10.342 -5.865 3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.878 -3.183 2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -10.646 -3.376 2.597 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.929 -2.200 3.723 1.00 0.00 H new ATOM 1200 N LYS A 101 -11.588 -6.247 6.444 1.00 0.00 N ATOM 1201 CA LYS A 101 -11.523 -7.184 7.562 1.00 0.00 C ATOM 1202 C LYS A 101 -10.188 -7.927 7.599 1.00 0.00 C ATOM 1203 O LYS A 101 -9.636 -8.274 6.555 1.00 0.00 O ATOM 1204 CB LYS A 101 -12.672 -8.190 7.474 1.00 0.00 C ATOM 1205 CG LYS A 101 -14.049 -7.544 7.508 1.00 0.00 C ATOM 1206 CD LYS A 101 -15.154 -8.584 7.413 1.00 0.00 C ATOM 1207 CE LYS A 101 -16.530 -7.938 7.444 1.00 0.00 C ATOM 1208 NZ LYS A 101 -17.620 -8.948 7.349 1.00 0.00 N ATOM 0 H LYS A 101 -12.255 -6.508 5.718 1.00 0.00 H new ATOM 0 HA LYS A 101 -11.613 -6.606 8.482 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -12.572 -8.764 6.553 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.590 -8.896 8.300 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -14.162 -6.974 8.430 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -14.141 -6.837 6.683 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -15.040 -9.155 6.492 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -15.063 -9.290 8.239 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -16.643 -7.368 8.366 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -16.618 -7.231 6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -18.542 -8.467 7.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -17.528 -9.475 6.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -17.552 -9.608 8.150 1.00 0.00 H new ATOM 1222 N PRO A 102 -9.656 -8.185 8.811 1.00 0.00 N ATOM 1223 CA PRO A 102 -8.382 -8.896 8.992 1.00 0.00 C ATOM 1224 C PRO A 102 -8.435 -10.321 8.445 1.00 0.00 C ATOM 1225 O PRO A 102 -8.554 -11.285 9.202 1.00 0.00 O ATOM 1226 CB PRO A 102 -8.182 -8.916 10.513 1.00 0.00 C ATOM 1227 CG PRO A 102 -9.092 -7.862 11.044 1.00 0.00 C ATOM 1228 CD PRO A 102 -10.254 -7.805 10.102 1.00 0.00 C ATOM 0 HA PRO A 102 -7.569 -8.408 8.454 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -8.427 -9.893 10.929 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.145 -8.709 10.776 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.421 -8.104 12.055 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.585 -6.899 11.096 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -11.046 -8.493 10.397 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -10.694 -6.809 10.065 1.00 0.00 H new ATOM 1236 N HIS A 103 -8.349 -10.441 7.127 1.00 0.00 N ATOM 1237 CA HIS A 103 -8.390 -11.737 6.460 1.00 0.00 C ATOM 1238 C HIS A 103 -7.992 -11.581 4.998 1.00 0.00 C ATOM 1239 O HIS A 103 -7.398 -12.480 4.401 1.00 0.00 O ATOM 1240 CB HIS A 103 -9.790 -12.348 6.561 1.00 0.00 C ATOM 1241 CG HIS A 103 -9.903 -13.696 5.921 1.00 0.00 C ATOM 1242 ND1 HIS A 103 -9.153 -14.784 6.316 1.00 0.00 N ATOM 1243 CD2 HIS A 103 -10.687 -14.132 4.905 1.00 0.00 C ATOM 1244 CE1 HIS A 103 -9.468 -15.828 5.572 1.00 0.00 C ATOM 1245 NE2 HIS A 103 -10.396 -15.460 4.709 1.00 0.00 N ATOM 0 H HIS A 103 -8.249 -9.648 6.493 1.00 0.00 H new ATOM 0 HA HIS A 103 -7.684 -12.406 6.953 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -10.067 -12.430 7.612 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -10.507 -11.672 6.094 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -11.406 -13.545 4.353 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -9.039 -16.816 5.655 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -10.827 -16.064 4.009 1.00 0.00 H new ATOM 1254 N ASP A 104 -8.310 -10.420 4.439 1.00 0.00 N ATOM 1255 CA ASP A 104 -7.980 -10.107 3.060 1.00 0.00 C ATOM 1256 C ASP A 104 -6.925 -9.017 3.039 1.00 0.00 C ATOM 1257 O ASP A 104 -6.960 -8.108 2.209 1.00 0.00 O ATOM 1258 CB ASP A 104 -9.229 -9.647 2.309 1.00 0.00 C ATOM 1259 CG ASP A 104 -10.261 -10.749 2.168 1.00 0.00 C ATOM 1260 OD1 ASP A 104 -10.732 -11.259 3.206 1.00 0.00 O ATOM 1261 OD2 ASP A 104 -10.597 -11.104 1.018 1.00 0.00 O ATOM 0 H ASP A 104 -8.802 -9.673 4.929 1.00 0.00 H new ATOM 0 HA ASP A 104 -7.593 -10.999 2.567 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -9.674 -8.802 2.834 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.943 -9.292 1.319 1.00 0.00 H new ATOM 1266 N ILE A 105 -5.999 -9.106 3.985 1.00 0.00 N ATOM 1267 CA ILE A 105 -4.939 -8.122 4.115 1.00 0.00 C ATOM 1268 C ILE A 105 -3.613 -8.775 4.475 1.00 0.00 C ATOM 1269 O ILE A 105 -3.533 -9.561 5.419 1.00 0.00 O ATOM 1270 CB ILE A 105 -5.282 -7.100 5.214 1.00 0.00 C ATOM 1271 CG1 ILE A 105 -6.658 -6.488 4.969 1.00 0.00 C ATOM 1272 CG2 ILE A 105 -4.222 -6.016 5.276 1.00 0.00 C ATOM 1273 CD1 ILE A 105 -7.119 -5.576 6.082 1.00 0.00 C ATOM 0 H ILE A 105 -5.963 -9.855 4.676 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.848 -7.625 3.149 1.00 0.00 H new ATOM 0 HB ILE A 105 -5.304 -7.619 6.172 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -6.636 -5.926 4.035 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -7.386 -7.289 4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -4.478 -5.301 6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.254 -6.466 5.499 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.171 -5.502 4.316 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -8.104 -5.177 5.841 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -7.174 -6.138 7.014 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -6.412 -4.754 6.195 1.00 0.00 H new ATOM 1285 N PHE A 106 -2.570 -8.427 3.733 1.00 0.00 N ATOM 1286 CA PHE A 106 -1.245 -8.964 3.995 1.00 0.00 C ATOM 1287 C PHE A 106 -0.606 -8.216 5.162 1.00 0.00 C ATOM 1288 O PHE A 106 -1.309 -7.675 6.015 1.00 0.00 O ATOM 1289 CB PHE A 106 -0.377 -8.866 2.733 1.00 0.00 C ATOM 1290 CG PHE A 106 -0.259 -7.474 2.172 1.00 0.00 C ATOM 1291 CD1 PHE A 106 0.627 -6.558 2.718 1.00 0.00 C ATOM 1292 CD2 PHE A 106 -1.026 -7.089 1.084 1.00 0.00 C ATOM 1293 CE1 PHE A 106 0.741 -5.285 2.193 1.00 0.00 C ATOM 1294 CE2 PHE A 106 -0.914 -5.818 0.554 1.00 0.00 C ATOM 1295 CZ PHE A 106 -0.030 -4.914 1.110 1.00 0.00 C ATOM 0 H PHE A 106 -2.617 -7.777 2.948 1.00 0.00 H new ATOM 0 HA PHE A 106 -1.328 -10.016 4.266 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.621 -9.239 2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -0.794 -9.520 1.967 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.235 -6.843 3.564 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -1.720 -7.791 0.645 1.00 0.00 H new ATOM 0 HE1 PHE A 106 1.433 -4.580 2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -1.517 -5.531 -0.295 1.00 0.00 H new ATOM 0 HZ PHE A 106 0.058 -3.919 0.698 1.00 0.00 H new ATOM 1305 N GLU A 107 0.720 -8.172 5.191 1.00 0.00 N ATOM 1306 CA GLU A 107 1.436 -7.475 6.249 1.00 0.00 C ATOM 1307 C GLU A 107 2.762 -6.949 5.732 1.00 0.00 C ATOM 1308 O GLU A 107 3.235 -7.365 4.673 1.00 0.00 O ATOM 1309 CB GLU A 107 1.683 -8.391 7.446 1.00 0.00 C ATOM 1310 CG GLU A 107 0.416 -8.901 8.096 1.00 0.00 C ATOM 1311 CD GLU A 107 0.686 -9.737 9.332 1.00 0.00 C ATOM 1312 OE1 GLU A 107 1.371 -10.774 9.209 1.00 0.00 O ATOM 1313 OE2 GLU A 107 0.213 -9.353 10.423 1.00 0.00 O ATOM 0 H GLU A 107 1.321 -8.611 4.493 1.00 0.00 H new ATOM 0 HA GLU A 107 0.816 -6.640 6.573 1.00 0.00 H new ATOM 0 HB2 GLU A 107 2.282 -9.242 7.123 1.00 0.00 H new ATOM 0 HB3 GLU A 107 2.270 -7.852 8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -0.215 -8.054 8.366 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.143 -9.497 7.374 1.00 0.00 H new ATOM 1320 N ALA A 108 3.354 -6.034 6.484 1.00 0.00 N ATOM 1321 CA ALA A 108 4.629 -5.448 6.108 1.00 0.00 C ATOM 1322 C ALA A 108 5.639 -6.529 5.741 1.00 0.00 C ATOM 1323 O ALA A 108 6.570 -6.283 4.978 1.00 0.00 O ATOM 1324 CB ALA A 108 5.162 -4.581 7.238 1.00 0.00 C ATOM 0 H ALA A 108 2.970 -5.681 7.360 1.00 0.00 H new ATOM 0 HA ALA A 108 4.473 -4.822 5.230 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.118 -4.147 6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 108 4.451 -3.782 7.450 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.299 -5.191 8.131 1.00 0.00 H new ATOM 1330 N ASN A 109 5.451 -7.726 6.293 1.00 0.00 N ATOM 1331 CA ASN A 109 6.350 -8.835 6.028 1.00 0.00 C ATOM 1332 C ASN A 109 6.052 -9.493 4.684 1.00 0.00 C ATOM 1333 O ASN A 109 6.966 -9.878 3.959 1.00 0.00 O ATOM 1334 CB ASN A 109 6.228 -9.865 7.142 1.00 0.00 C ATOM 1335 CG ASN A 109 6.434 -9.261 8.513 1.00 0.00 C ATOM 1336 OD1 ASN A 109 5.704 -8.360 8.927 1.00 0.00 O ATOM 1337 ND2 ASN A 109 7.432 -9.756 9.227 1.00 0.00 N ATOM 0 H ASN A 109 4.682 -7.948 6.926 1.00 0.00 H new ATOM 0 HA ASN A 109 7.367 -8.444 5.990 1.00 0.00 H new ATOM 0 HB2 ASN A 109 5.243 -10.329 7.097 1.00 0.00 H new ATOM 0 HB3 ASN A 109 6.961 -10.656 6.983 1.00 0.00 H new ATOM 0 HD21 ASN A 109 7.622 -9.391 10.160 1.00 0.00 H new ATOM 0 HD22 ASN A 109 8.012 -10.503 8.844 1.00 0.00 H new ATOM 1344 N ASP A 110 4.771 -9.643 4.366 1.00 0.00 N ATOM 1345 CA ASP A 110 4.362 -10.277 3.116 1.00 0.00 C ATOM 1346 C ASP A 110 4.929 -9.549 1.900 1.00 0.00 C ATOM 1347 O ASP A 110 5.539 -10.166 1.027 1.00 0.00 O ATOM 1348 CB ASP A 110 2.835 -10.328 3.026 1.00 0.00 C ATOM 1349 CG ASP A 110 2.213 -11.137 4.148 1.00 0.00 C ATOM 1350 OD1 ASP A 110 2.968 -11.654 4.999 1.00 0.00 O ATOM 1351 OD2 ASP A 110 0.971 -11.255 4.177 1.00 0.00 O ATOM 0 H ASP A 110 3.998 -9.335 4.955 1.00 0.00 H new ATOM 0 HA ASP A 110 4.762 -11.291 3.115 1.00 0.00 H new ATOM 0 HB2 ASP A 110 2.439 -9.313 3.052 1.00 0.00 H new ATOM 0 HB3 ASP A 110 2.545 -10.759 2.068 1.00 0.00 H new ATOM 1356 N LEU A 111 4.718 -8.238 1.843 1.00 0.00 N ATOM 1357 CA LEU A 111 5.203 -7.432 0.726 1.00 0.00 C ATOM 1358 C LEU A 111 6.725 -7.307 0.745 1.00 0.00 C ATOM 1359 O LEU A 111 7.382 -7.465 -0.285 1.00 0.00 O ATOM 1360 CB LEU A 111 4.562 -6.043 0.764 1.00 0.00 C ATOM 1361 CG LEU A 111 5.042 -5.069 -0.317 1.00 0.00 C ATOM 1362 CD1 LEU A 111 4.749 -5.618 -1.705 1.00 0.00 C ATOM 1363 CD2 LEU A 111 4.389 -3.708 -0.134 1.00 0.00 C ATOM 0 H LEU A 111 4.215 -7.710 2.556 1.00 0.00 H new ATOM 0 HA LEU A 111 4.920 -7.936 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 111 3.482 -6.157 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 111 4.754 -5.599 1.741 1.00 0.00 H new ATOM 0 HG LEU A 111 6.121 -4.952 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 111 5.098 -4.911 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.263 -6.570 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.675 -5.767 -1.818 1.00 0.00 H new ATOM 0 HD21 LEU A 111 4.741 -3.028 -0.910 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.306 -3.811 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.651 -3.307 0.845 1.00 0.00 H new ATOM 1375 N PHE A 112 7.278 -7.009 1.917 1.00 0.00 N ATOM 1376 CA PHE A 112 8.723 -6.848 2.064 1.00 0.00 C ATOM 1377 C PHE A 112 9.470 -8.132 1.708 1.00 0.00 C ATOM 1378 O PHE A 112 10.444 -8.101 0.955 1.00 0.00 O ATOM 1379 CB PHE A 112 9.065 -6.431 3.497 1.00 0.00 C ATOM 1380 CG PHE A 112 10.525 -6.139 3.711 1.00 0.00 C ATOM 1381 CD1 PHE A 112 11.186 -5.204 2.926 1.00 0.00 C ATOM 1382 CD2 PHE A 112 11.236 -6.796 4.704 1.00 0.00 C ATOM 1383 CE1 PHE A 112 12.526 -4.934 3.126 1.00 0.00 C ATOM 1384 CE2 PHE A 112 12.576 -6.530 4.908 1.00 0.00 C ATOM 1385 CZ PHE A 112 13.223 -5.598 4.118 1.00 0.00 C ATOM 0 H PHE A 112 6.749 -6.874 2.779 1.00 0.00 H new ATOM 0 HA PHE A 112 9.041 -6.068 1.372 1.00 0.00 H new ATOM 0 HB2 PHE A 112 8.485 -5.545 3.756 1.00 0.00 H new ATOM 0 HB3 PHE A 112 8.759 -7.224 4.179 1.00 0.00 H new ATOM 0 HD1 PHE A 112 10.646 -4.682 2.150 1.00 0.00 H new ATOM 0 HD2 PHE A 112 10.736 -7.524 5.325 1.00 0.00 H new ATOM 0 HE1 PHE A 112 13.029 -4.205 2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 112 13.118 -7.050 5.684 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.271 -5.389 4.276 1.00 0.00 H new ATOM 1395 N GLU A 113 9.012 -9.258 2.250 1.00 0.00 N ATOM 1396 CA GLU A 113 9.642 -10.545 1.985 1.00 0.00 C ATOM 1397 C GLU A 113 9.258 -11.060 0.605 1.00 0.00 C ATOM 1398 O GLU A 113 9.887 -11.977 0.077 1.00 0.00 O ATOM 1399 CB GLU A 113 9.248 -11.563 3.054 1.00 0.00 C ATOM 1400 CG GLU A 113 9.731 -11.196 4.447 1.00 0.00 C ATOM 1401 CD GLU A 113 11.245 -11.158 4.559 1.00 0.00 C ATOM 1402 OE1 GLU A 113 11.926 -11.466 3.558 1.00 0.00 O ATOM 1403 OE2 GLU A 113 11.749 -10.824 5.651 1.00 0.00 O ATOM 0 H GLU A 113 8.207 -9.303 2.875 1.00 0.00 H new ATOM 0 HA GLU A 113 10.723 -10.406 2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 113 8.163 -11.661 3.068 1.00 0.00 H new ATOM 0 HB3 GLU A 113 9.653 -12.538 2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 113 9.327 -10.221 4.720 1.00 0.00 H new ATOM 0 HG3 GLU A 113 9.337 -11.917 5.164 1.00 0.00 H new ATOM 1410 N ASN A 114 8.213 -10.466 0.036 1.00 0.00 N ATOM 1411 CA ASN A 114 7.726 -10.862 -1.278 1.00 0.00 C ATOM 1412 C ASN A 114 7.199 -12.291 -1.240 1.00 0.00 C ATOM 1413 O ASN A 114 7.355 -13.050 -2.196 1.00 0.00 O ATOM 1414 CB ASN A 114 8.840 -10.746 -2.320 1.00 0.00 C ATOM 1415 CG ASN A 114 9.404 -9.344 -2.416 1.00 0.00 C ATOM 1416 OD1 ASN A 114 10.706 -9.216 -2.190 1.00 0.00 O flip ATOM 1417 ND2 ASN A 114 8.680 -8.387 -2.695 1.00 0.00 N flip ATOM 0 H ASN A 114 7.687 -9.706 0.468 1.00 0.00 H new ATOM 0 HA ASN A 114 6.913 -10.192 -1.557 1.00 0.00 H new ATOM 0 HB2 ASN A 114 9.642 -11.440 -2.068 1.00 0.00 H new ATOM 0 HB3 ASN A 114 8.454 -11.046 -3.294 1.00 0.00 H new ATOM 0 HD21 ASN A 114 7.684 -8.532 -2.861 1.00 0.00 H new ATOM 0 HD22 ASN A 114 9.077 -7.449 -2.760 1.00 0.00 H new ATOM 1424 N THR A 115 6.579 -12.653 -0.122 1.00 0.00 N ATOM 1425 CA THR A 115 6.031 -13.994 0.042 1.00 0.00 C ATOM 1426 C THR A 115 4.596 -14.082 -0.473 1.00 0.00 C ATOM 1427 O THR A 115 4.259 -14.971 -1.254 1.00 0.00 O ATOM 1428 CB THR A 115 6.060 -14.434 1.517 1.00 0.00 C ATOM 1429 OG1 THR A 115 5.299 -13.522 2.317 1.00 0.00 O ATOM 1430 CG2 THR A 115 7.489 -14.498 2.034 1.00 0.00 C ATOM 0 H THR A 115 6.444 -12.039 0.681 1.00 0.00 H new ATOM 0 HA THR A 115 6.661 -14.661 -0.546 1.00 0.00 H new ATOM 0 HB THR A 115 5.620 -15.429 1.584 1.00 0.00 H new ATOM 0 HG1 THR A 115 4.361 -13.804 2.331 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.485 -14.811 3.078 1.00 0.00 H new ATOM 0 HG22 THR A 115 8.058 -15.215 1.443 1.00 0.00 H new ATOM 0 HG23 THR A 115 7.950 -13.514 1.952 1.00 0.00 H new ATOM 1438 N ASN A 116 3.753 -13.160 -0.017 1.00 0.00 N ATOM 1439 CA ASN A 116 2.348 -13.134 -0.416 1.00 0.00 C ATOM 1440 C ASN A 116 2.114 -12.251 -1.642 1.00 0.00 C ATOM 1441 O ASN A 116 1.405 -11.248 -1.563 1.00 0.00 O ATOM 1442 CB ASN A 116 1.481 -12.648 0.746 1.00 0.00 C ATOM 1443 CG ASN A 116 1.528 -13.584 1.937 1.00 0.00 C ATOM 1444 OD1 ASN A 116 2.590 -13.828 2.510 1.00 0.00 O ATOM 1445 ND2 ASN A 116 0.370 -14.113 2.316 1.00 0.00 N ATOM 0 H ASN A 116 4.019 -12.419 0.631 1.00 0.00 H new ATOM 0 HA ASN A 116 2.067 -14.153 -0.684 1.00 0.00 H new ATOM 0 HB2 ASN A 116 1.814 -11.657 1.054 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.450 -12.547 0.408 1.00 0.00 H new ATOM 0 HD21 ASN A 116 0.336 -14.750 3.112 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -0.486 -13.882 1.811 1.00 0.00 H new ATOM 1452 N HIS A 117 2.702 -12.629 -2.775 1.00 0.00 N ATOM 1453 CA HIS A 117 2.536 -11.863 -4.010 1.00 0.00 C ATOM 1454 C HIS A 117 1.060 -11.703 -4.362 1.00 0.00 C ATOM 1455 O HIS A 117 0.599 -10.602 -4.666 1.00 0.00 O ATOM 1456 CB HIS A 117 3.264 -12.546 -5.171 1.00 0.00 C ATOM 1457 CG HIS A 117 4.757 -12.463 -5.094 1.00 0.00 C ATOM 1458 ND1 HIS A 117 5.590 -13.070 -6.009 1.00 0.00 N ATOM 1459 CD2 HIS A 117 5.568 -11.826 -4.215 1.00 0.00 C ATOM 1460 CE1 HIS A 117 6.847 -12.813 -5.698 1.00 0.00 C ATOM 1461 NE2 HIS A 117 6.861 -12.060 -4.614 1.00 0.00 N ATOM 0 H HIS A 117 3.294 -13.455 -2.865 1.00 0.00 H new ATOM 0 HA HIS A 117 2.968 -10.876 -3.845 1.00 0.00 H new ATOM 0 HB2 HIS A 117 2.971 -13.595 -5.202 1.00 0.00 H new ATOM 0 HB3 HIS A 117 2.934 -12.095 -6.107 1.00 0.00 H new ATOM 0 HD1 HIS A 117 5.283 -13.631 -6.804 1.00 0.00 H new ATOM 0 HD2 HIS A 117 5.256 -11.243 -3.361 1.00 0.00 H new ATOM 0 HE1 HIS A 117 7.716 -13.160 -6.238 1.00 0.00 H new ATOM 1470 N THR A 118 0.324 -12.810 -4.326 1.00 0.00 N ATOM 1471 CA THR A 118 -1.098 -12.797 -4.648 1.00 0.00 C ATOM 1472 C THR A 118 -1.889 -11.948 -3.657 1.00 0.00 C ATOM 1473 O THR A 118 -2.760 -11.172 -4.049 1.00 0.00 O ATOM 1474 CB THR A 118 -1.681 -14.223 -4.663 1.00 0.00 C ATOM 1475 OG1 THR A 118 -0.979 -15.029 -5.617 1.00 0.00 O ATOM 1476 CG2 THR A 118 -3.163 -14.202 -5.008 1.00 0.00 C ATOM 0 H THR A 118 0.690 -13.729 -4.076 1.00 0.00 H new ATOM 0 HA THR A 118 -1.189 -12.360 -5.642 1.00 0.00 H new ATOM 0 HB THR A 118 -1.562 -14.648 -3.666 1.00 0.00 H new ATOM 0 HG1 THR A 118 -1.354 -15.934 -5.619 1.00 0.00 H new ATOM 0 HG21 THR A 118 -3.550 -15.221 -5.012 1.00 0.00 H new ATOM 0 HG22 THR A 118 -3.701 -13.612 -4.266 1.00 0.00 H new ATOM 0 HG23 THR A 118 -3.301 -13.758 -5.994 1.00 0.00 H new ATOM 1484 N GLN A 119 -1.586 -12.106 -2.373 1.00 0.00 N ATOM 1485 CA GLN A 119 -2.273 -11.362 -1.324 1.00 0.00 C ATOM 1486 C GLN A 119 -2.112 -9.856 -1.515 1.00 0.00 C ATOM 1487 O GLN A 119 -3.033 -9.087 -1.240 1.00 0.00 O ATOM 1488 CB GLN A 119 -1.744 -11.777 0.048 1.00 0.00 C ATOM 1489 CG GLN A 119 -2.476 -11.126 1.207 1.00 0.00 C ATOM 1490 CD GLN A 119 -3.954 -11.468 1.230 1.00 0.00 C ATOM 1491 OE1 GLN A 119 -4.331 -12.635 1.327 1.00 0.00 O ATOM 1492 NE2 GLN A 119 -4.799 -10.446 1.141 1.00 0.00 N ATOM 0 H GLN A 119 -0.867 -12.745 -2.033 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.335 -11.598 -1.385 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.820 -12.860 0.144 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -0.685 -11.525 0.111 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -2.019 -11.443 2.144 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.358 -10.044 1.145 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.441 -9.494 1.062 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.805 -10.614 1.152 1.00 0.00 H new ATOM 1501 N VAL A 120 -0.936 -9.438 -1.977 1.00 0.00 N ATOM 1502 CA VAL A 120 -0.658 -8.020 -2.195 1.00 0.00 C ATOM 1503 C VAL A 120 -1.709 -7.381 -3.102 1.00 0.00 C ATOM 1504 O VAL A 120 -2.262 -6.330 -2.777 1.00 0.00 O ATOM 1505 CB VAL A 120 0.745 -7.811 -2.803 1.00 0.00 C ATOM 1506 CG1 VAL A 120 0.942 -6.368 -3.248 1.00 0.00 C ATOM 1507 CG2 VAL A 120 1.823 -8.219 -1.807 1.00 0.00 C ATOM 0 H VAL A 120 -0.161 -10.060 -2.207 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.694 -7.535 -1.220 1.00 0.00 H new ATOM 0 HB VAL A 120 0.829 -8.446 -3.685 1.00 0.00 H new ATOM 0 HG11 VAL A 120 1.939 -6.251 -3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 120 0.196 -6.114 -4.001 1.00 0.00 H new ATOM 0 HG13 VAL A 120 0.832 -5.705 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.806 -8.065 -2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 120 1.734 -7.613 -0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.701 -9.271 -1.550 1.00 0.00 H new ATOM 1517 N GLN A 121 -1.985 -8.019 -4.235 1.00 0.00 N ATOM 1518 CA GLN A 121 -2.976 -7.507 -5.178 1.00 0.00 C ATOM 1519 C GLN A 121 -4.391 -7.677 -4.635 1.00 0.00 C ATOM 1520 O GLN A 121 -5.232 -6.792 -4.781 1.00 0.00 O ATOM 1521 CB GLN A 121 -2.846 -8.213 -6.529 1.00 0.00 C ATOM 1522 CG GLN A 121 -1.549 -7.902 -7.256 1.00 0.00 C ATOM 1523 CD GLN A 121 -1.421 -8.650 -8.568 1.00 0.00 C ATOM 1524 OE1 GLN A 121 -2.247 -8.496 -9.467 1.00 0.00 O ATOM 1525 NE2 GLN A 121 -0.382 -9.469 -8.683 1.00 0.00 N ATOM 0 H GLN A 121 -1.538 -8.890 -4.523 1.00 0.00 H new ATOM 0 HA GLN A 121 -2.787 -6.442 -5.315 1.00 0.00 H new ATOM 0 HB2 GLN A 121 -2.917 -9.290 -6.375 1.00 0.00 H new ATOM 0 HB3 GLN A 121 -3.685 -7.925 -7.162 1.00 0.00 H new ATOM 0 HG2 GLN A 121 -1.492 -6.830 -7.446 1.00 0.00 H new ATOM 0 HG3 GLN A 121 -0.707 -8.157 -6.613 1.00 0.00 H new ATOM 0 HE21 GLN A 121 0.279 -9.566 -7.912 1.00 0.00 H new ATOM 0 HE22 GLN A 121 -0.245 -10.001 -9.542 1.00 0.00 H new ATOM 1534 N SER A 122 -4.646 -8.825 -4.012 1.00 0.00 N ATOM 1535 CA SER A 122 -5.962 -9.119 -3.450 1.00 0.00 C ATOM 1536 C SER A 122 -6.393 -8.040 -2.461 1.00 0.00 C ATOM 1537 O SER A 122 -7.547 -7.612 -2.462 1.00 0.00 O ATOM 1538 CB SER A 122 -5.948 -10.484 -2.759 1.00 0.00 C ATOM 1539 OG SER A 122 -7.217 -10.788 -2.207 1.00 0.00 O ATOM 0 H SER A 122 -3.958 -9.567 -3.883 1.00 0.00 H new ATOM 0 HA SER A 122 -6.681 -9.138 -4.269 1.00 0.00 H new ATOM 0 HB2 SER A 122 -5.665 -11.255 -3.476 1.00 0.00 H new ATOM 0 HB3 SER A 122 -5.194 -10.489 -1.971 1.00 0.00 H new ATOM 0 HG SER A 122 -7.183 -11.666 -1.772 1.00 0.00 H new ATOM 1545 N THR A 123 -5.461 -7.607 -1.617 1.00 0.00 N ATOM 1546 CA THR A 123 -5.747 -6.580 -0.623 1.00 0.00 C ATOM 1547 C THR A 123 -6.216 -5.290 -1.286 1.00 0.00 C ATOM 1548 O THR A 123 -7.195 -4.680 -0.856 1.00 0.00 O ATOM 1549 CB THR A 123 -4.512 -6.281 0.248 1.00 0.00 C ATOM 1550 OG1 THR A 123 -4.090 -7.472 0.923 1.00 0.00 O ATOM 1551 CG2 THR A 123 -4.818 -5.197 1.271 1.00 0.00 C ATOM 0 H THR A 123 -4.501 -7.952 -1.602 1.00 0.00 H new ATOM 0 HA THR A 123 -6.543 -6.967 0.013 1.00 0.00 H new ATOM 0 HB THR A 123 -3.713 -5.928 -0.404 1.00 0.00 H new ATOM 0 HG1 THR A 123 -3.145 -7.391 1.169 1.00 0.00 H new ATOM 0 HG21 THR A 123 -3.930 -5.004 1.873 1.00 0.00 H new ATOM 0 HG22 THR A 123 -5.112 -4.283 0.755 1.00 0.00 H new ATOM 0 HG23 THR A 123 -5.631 -5.526 1.918 1.00 0.00 H new ATOM 1559 N LEU A 124 -5.511 -4.881 -2.338 1.00 0.00 N ATOM 1560 CA LEU A 124 -5.859 -3.664 -3.062 1.00 0.00 C ATOM 1561 C LEU A 124 -7.260 -3.766 -3.661 1.00 0.00 C ATOM 1562 O LEU A 124 -8.066 -2.844 -3.538 1.00 0.00 O ATOM 1563 CB LEU A 124 -4.836 -3.391 -4.170 1.00 0.00 C ATOM 1564 CG LEU A 124 -3.423 -3.045 -3.690 1.00 0.00 C ATOM 1565 CD1 LEU A 124 -2.492 -2.851 -4.878 1.00 0.00 C ATOM 1566 CD2 LEU A 124 -3.446 -1.796 -2.820 1.00 0.00 C ATOM 0 H LEU A 124 -4.698 -5.374 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 124 -5.846 -2.836 -2.353 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -4.778 -4.270 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -5.203 -2.570 -4.786 1.00 0.00 H new ATOM 0 HG LEU A 124 -3.049 -3.874 -3.090 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -1.492 -2.606 -4.520 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.453 -3.770 -5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -2.863 -2.038 -5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -2.434 -1.565 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -3.839 -0.958 -3.396 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -4.082 -1.969 -1.952 1.00 0.00 H new ATOM 1578 N ILE A 125 -7.543 -4.893 -4.307 1.00 0.00 N ATOM 1579 CA ILE A 125 -8.846 -5.113 -4.926 1.00 0.00 C ATOM 1580 C ILE A 125 -9.975 -4.963 -3.908 1.00 0.00 C ATOM 1581 O ILE A 125 -10.991 -4.328 -4.187 1.00 0.00 O ATOM 1582 CB ILE A 125 -8.932 -6.512 -5.571 1.00 0.00 C ATOM 1583 CG1 ILE A 125 -7.829 -6.681 -6.620 1.00 0.00 C ATOM 1584 CG2 ILE A 125 -10.305 -6.725 -6.196 1.00 0.00 C ATOM 1585 CD1 ILE A 125 -7.804 -8.052 -7.262 1.00 0.00 C ATOM 0 H ILE A 125 -6.888 -5.668 -4.415 1.00 0.00 H new ATOM 0 HA ILE A 125 -8.959 -4.355 -5.701 1.00 0.00 H new ATOM 0 HB ILE A 125 -8.788 -7.264 -4.795 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -7.961 -5.928 -7.397 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -6.863 -6.491 -6.152 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -10.350 -7.716 -6.647 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -11.072 -6.641 -5.426 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -10.477 -5.970 -6.963 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -6.997 -8.097 -7.994 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -7.641 -8.810 -6.496 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -8.756 -8.238 -7.760 1.00 0.00 H new ATOM 1597 N ALA A 126 -9.788 -5.551 -2.732 1.00 0.00 N ATOM 1598 CA ALA A 126 -10.790 -5.482 -1.675 1.00 0.00 C ATOM 1599 C ALA A 126 -11.015 -4.042 -1.222 1.00 0.00 C ATOM 1600 O ALA A 126 -12.154 -3.606 -1.052 1.00 0.00 O ATOM 1601 CB ALA A 126 -10.373 -6.348 -0.495 1.00 0.00 C ATOM 0 H ALA A 126 -8.952 -6.081 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 126 -11.730 -5.860 -2.076 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -11.130 -6.287 0.287 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -10.271 -7.383 -0.821 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -9.419 -5.995 -0.104 1.00 0.00 H new ATOM 1607 N LEU A 127 -9.923 -3.312 -1.027 1.00 0.00 N ATOM 1608 CA LEU A 127 -9.995 -1.921 -0.592 1.00 0.00 C ATOM 1609 C LEU A 127 -10.735 -1.064 -1.615 1.00 0.00 C ATOM 1610 O LEU A 127 -11.420 -0.107 -1.256 1.00 0.00 O ATOM 1611 CB LEU A 127 -8.589 -1.361 -0.361 1.00 0.00 C ATOM 1612 CG LEU A 127 -8.542 0.078 0.160 1.00 0.00 C ATOM 1613 CD1 LEU A 127 -9.315 0.202 1.465 1.00 0.00 C ATOM 1614 CD2 LEU A 127 -7.102 0.529 0.347 1.00 0.00 C ATOM 0 H LEU A 127 -8.974 -3.661 -1.164 1.00 0.00 H new ATOM 0 HA LEU A 127 -10.549 -1.891 0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -8.070 -2.005 0.349 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -8.036 -1.410 -1.299 1.00 0.00 H new ATOM 0 HG LEU A 127 -9.013 0.726 -0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -9.269 1.232 1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -10.355 -0.079 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -8.875 -0.458 2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -7.087 1.554 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.607 -0.124 1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -6.579 0.481 -0.608 1.00 0.00 H new ATOM 1626 N ALA A 128 -10.588 -1.415 -2.889 1.00 0.00 N ATOM 1627 CA ALA A 128 -11.239 -0.680 -3.968 1.00 0.00 C ATOM 1628 C ALA A 128 -12.738 -0.569 -3.723 1.00 0.00 C ATOM 1629 O ALA A 128 -13.342 0.476 -3.964 1.00 0.00 O ATOM 1630 CB ALA A 128 -10.968 -1.354 -5.305 1.00 0.00 C ATOM 0 H ALA A 128 -10.023 -2.205 -3.200 1.00 0.00 H new ATOM 0 HA ALA A 128 -10.824 0.328 -3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -11.460 -0.795 -6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -9.894 -1.378 -5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -11.356 -2.372 -5.284 1.00 0.00 H new ATOM 1636 N SER A 129 -13.330 -1.655 -3.236 1.00 0.00 N ATOM 1637 CA SER A 129 -14.758 -1.685 -2.948 1.00 0.00 C ATOM 1638 C SER A 129 -15.132 -0.596 -1.949 1.00 0.00 C ATOM 1639 O SER A 129 -16.210 -0.008 -2.032 1.00 0.00 O ATOM 1640 CB SER A 129 -15.161 -3.056 -2.403 1.00 0.00 C ATOM 1641 OG SER A 129 -14.872 -4.083 -3.336 1.00 0.00 O ATOM 0 H SER A 129 -12.841 -2.527 -3.033 1.00 0.00 H new ATOM 0 HA SER A 129 -15.296 -1.501 -3.878 1.00 0.00 H new ATOM 0 HB2 SER A 129 -14.632 -3.249 -1.470 1.00 0.00 H new ATOM 0 HB3 SER A 129 -16.226 -3.060 -2.172 1.00 0.00 H new ATOM 0 HG SER A 129 -15.138 -4.949 -2.962 1.00 0.00 H new ATOM 1647 N GLN A 130 -14.234 -0.334 -1.003 1.00 0.00 N ATOM 1648 CA GLN A 130 -14.465 0.678 0.011 1.00 0.00 C ATOM 1649 C GLN A 130 -14.582 2.067 -0.603 1.00 0.00 C ATOM 1650 O GLN A 130 -15.550 2.785 -0.355 1.00 0.00 O ATOM 1651 CB GLN A 130 -13.331 0.654 1.024 1.00 0.00 C ATOM 1652 CG GLN A 130 -13.496 -0.388 2.119 1.00 0.00 C ATOM 1653 CD GLN A 130 -13.536 -1.808 1.589 1.00 0.00 C ATOM 1654 OE1 GLN A 130 -14.435 -2.182 0.837 1.00 0.00 O ATOM 1655 NE2 GLN A 130 -12.556 -2.610 1.984 1.00 0.00 N ATOM 0 H GLN A 130 -13.337 -0.814 -0.922 1.00 0.00 H new ATOM 0 HA GLN A 130 -15.409 0.452 0.508 1.00 0.00 H new ATOM 0 HB2 GLN A 130 -12.394 0.468 0.499 1.00 0.00 H new ATOM 0 HB3 GLN A 130 -13.249 1.639 1.484 1.00 0.00 H new ATOM 0 HG2 GLN A 130 -12.673 -0.294 2.828 1.00 0.00 H new ATOM 0 HG3 GLN A 130 -14.415 -0.186 2.669 1.00 0.00 H new ATOM 0 HE21 GLN A 130 -11.830 -2.259 2.609 1.00 0.00 H new ATOM 0 HE22 GLN A 130 -12.528 -3.578 1.663 1.00 0.00 H new ATOM 1664 N ALA A 131 -13.590 2.443 -1.403 1.00 0.00 N ATOM 1665 CA ALA A 131 -13.583 3.751 -2.048 1.00 0.00 C ATOM 1666 C ALA A 131 -14.510 3.779 -3.261 1.00 0.00 C ATOM 1667 O ALA A 131 -14.179 4.366 -4.292 1.00 0.00 O ATOM 1668 CB ALA A 131 -12.164 4.124 -2.452 1.00 0.00 C ATOM 0 H ALA A 131 -12.781 1.861 -1.620 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.954 4.485 -1.333 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -12.168 5.102 -2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -11.530 4.158 -1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -11.776 3.379 -3.147 1.00 0.00 H new ATOM 1674 N LYS A 132 -15.672 3.146 -3.130 1.00 0.00 N ATOM 1675 CA LYS A 132 -16.645 3.104 -4.217 1.00 0.00 C ATOM 1676 C LYS A 132 -17.302 4.468 -4.413 1.00 0.00 C ATOM 1677 O LYS A 132 -17.380 4.972 -5.534 1.00 0.00 O ATOM 1678 CB LYS A 132 -17.708 2.038 -3.940 1.00 0.00 C ATOM 1679 CG LYS A 132 -18.449 2.236 -2.625 1.00 0.00 C ATOM 1680 CD LYS A 132 -19.487 1.148 -2.395 1.00 0.00 C ATOM 1681 CE LYS A 132 -20.562 1.159 -3.471 1.00 0.00 C ATOM 1682 NZ LYS A 132 -21.289 2.456 -3.519 1.00 0.00 N ATOM 0 H LYS A 132 -15.963 2.656 -2.284 1.00 0.00 H new ATOM 0 HA LYS A 132 -16.118 2.844 -5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -18.430 2.038 -4.757 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -17.233 1.057 -3.934 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -17.735 2.238 -1.802 1.00 0.00 H new ATOM 0 HG3 LYS A 132 -18.937 3.211 -2.625 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -18.997 0.175 -2.381 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -19.949 1.287 -1.418 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -20.106 0.963 -4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -21.271 0.353 -3.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -22.136 2.357 -4.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -21.572 2.731 -2.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -20.668 3.188 -3.919 1.00 0.00 H new