USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 579 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 70 HIS :FLIP no HE2:sc= 0.117 F(o=-0.96,f=0.22) USER MOD Set 1.2: A 81 SER OG : rot 180:sc= 0.107 USER MOD Set 2.1: A 18 MET CE :methyl -170:sc= -0.52 (180deg=-0.678) USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 30:sc= 0 USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0732 F(o=-1.1,f=-0.073) USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0621 F(o=-4.2!,f=-0.062) USER MOD Single : A 15 SER OG : rot 168:sc= 0.0236 USER MOD Single : A 17 MET CE :methyl 169:sc= -0.323 (180deg=-0.752) USER MOD Single : A 28 GLN : amide:sc= -0.433 K(o=-0.43,f=-3!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=-0.012) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 CYS SG : rot -98:sc= 0.145 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -44:sc= -2.61 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 168:sc= 0.148 (180deg=0.05) USER MOD Single : A 73 GLN : amide:sc= 0.256 X(o=0.26,f=-0.1) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 150:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 175:sc= 0.805 (180deg=0.65) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 7 8.700 -5.509 5.437 1.00 0.00 N ATOM 93 CA TYR A 7 7.411 -4.957 5.825 1.00 0.00 C ATOM 94 C TYR A 7 6.442 -6.025 6.287 1.00 0.00 C ATOM 95 O TYR A 7 6.623 -7.214 6.039 1.00 0.00 O ATOM 96 CB TYR A 7 6.811 -4.154 4.668 1.00 0.00 C ATOM 97 CG TYR A 7 6.439 -4.988 3.467 1.00 0.00 C ATOM 98 CD1 TYR A 7 7.404 -5.455 2.583 1.00 0.00 C ATOM 99 CD2 TYR A 7 5.116 -5.307 3.222 1.00 0.00 C ATOM 100 CE1 TYR A 7 7.054 -6.218 1.487 1.00 0.00 C ATOM 101 CE2 TYR A 7 4.757 -6.065 2.134 1.00 0.00 C ATOM 102 CZ TYR A 7 5.728 -6.521 1.266 1.00 0.00 C ATOM 103 OH TYR A 7 5.372 -7.280 0.177 1.00 0.00 O ATOM 0 HA TYR A 7 7.584 -4.295 6.673 1.00 0.00 H new ATOM 0 HB2 TYR A 7 5.923 -3.633 5.024 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.526 -3.391 4.360 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.443 -5.218 2.756 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.351 -4.954 3.898 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.814 -6.575 0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.718 -6.303 1.959 1.00 0.00 H new ATOM 0 HH TYR A 7 6.102 -7.895 -0.046 1.00 0.00 H new ATOM 113 N GLN A 8 5.414 -5.561 6.972 1.00 0.00 N ATOM 114 CA GLN A 8 4.366 -6.408 7.493 1.00 0.00 C ATOM 115 C GLN A 8 3.032 -5.757 7.200 1.00 0.00 C ATOM 116 O GLN A 8 2.892 -4.541 7.297 1.00 0.00 O ATOM 117 CB GLN A 8 4.510 -6.629 9.002 1.00 0.00 C ATOM 118 CG GLN A 8 5.807 -7.315 9.411 1.00 0.00 C ATOM 119 CD GLN A 8 6.809 -6.375 10.063 1.00 0.00 C ATOM 120 OE1 GLN A 8 6.800 -5.107 9.675 1.00 0.00 O flip ATOM 121 NE2 GLN A 8 7.593 -6.793 10.914 1.00 0.00 N flip ATOM 0 H GLN A 8 5.285 -4.572 7.183 1.00 0.00 H new ATOM 0 HA GLN A 8 4.436 -7.383 7.011 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.447 -5.665 9.507 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.669 -7.228 9.352 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.578 -8.126 10.102 1.00 0.00 H new ATOM 0 HG3 GLN A 8 6.264 -7.767 8.530 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.572 -7.775 11.188 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.264 -6.157 11.345 1.00 0.00 H new ATOM 130 N ILE A 9 2.071 -6.561 6.839 1.00 0.00 N ATOM 131 CA ILE A 9 0.770 -6.066 6.428 1.00 0.00 C ATOM 132 C ILE A 9 -0.331 -6.470 7.411 1.00 0.00 C ATOM 133 O ILE A 9 -0.432 -7.628 7.815 1.00 0.00 O ATOM 134 CB ILE A 9 0.438 -6.579 5.015 1.00 0.00 C ATOM 135 CG1 ILE A 9 1.460 -6.036 4.012 1.00 0.00 C ATOM 136 CG2 ILE A 9 -0.969 -6.192 4.616 1.00 0.00 C ATOM 137 CD1 ILE A 9 1.150 -6.364 2.568 1.00 0.00 C ATOM 0 H ILE A 9 2.159 -7.577 6.818 1.00 0.00 H new ATOM 0 HA ILE A 9 0.815 -4.977 6.419 1.00 0.00 H new ATOM 0 HB ILE A 9 0.492 -7.668 5.016 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.519 -4.953 4.122 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.443 -6.436 4.260 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.179 -6.566 3.614 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.679 -6.624 5.321 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.064 -5.106 4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.923 -5.943 1.925 1.00 0.00 H new ATOM 0 HD12 ILE A 9 1.121 -7.446 2.439 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.183 -5.940 2.298 1.00 0.00 H new ATOM 149 N GLU A 10 -1.144 -5.500 7.809 1.00 0.00 N ATOM 150 CA GLU A 10 -2.247 -5.749 8.719 1.00 0.00 C ATOM 151 C GLU A 10 -3.571 -5.333 8.079 1.00 0.00 C ATOM 152 O GLU A 10 -3.598 -4.693 7.025 1.00 0.00 O ATOM 153 CB GLU A 10 -2.030 -4.982 10.025 1.00 0.00 C ATOM 154 CG GLU A 10 -2.332 -3.493 9.935 1.00 0.00 C ATOM 155 CD GLU A 10 -2.255 -2.799 11.281 1.00 0.00 C ATOM 156 OE1 GLU A 10 -3.124 -3.062 12.143 1.00 0.00 O ATOM 157 OE2 GLU A 10 -1.336 -1.980 11.486 1.00 0.00 O ATOM 0 H GLU A 10 -1.057 -4.528 7.512 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.287 -6.816 8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.658 -5.422 10.800 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.995 -5.112 10.342 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.627 -3.024 9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.328 -3.353 9.515 1.00 0.00 H new ATOM 164 N GLN A 11 -4.665 -5.706 8.718 1.00 0.00 N ATOM 165 CA GLN A 11 -5.986 -5.318 8.257 1.00 0.00 C ATOM 166 C GLN A 11 -6.430 -4.057 8.981 1.00 0.00 C ATOM 167 O GLN A 11 -6.334 -3.962 10.202 1.00 0.00 O ATOM 168 CB GLN A 11 -6.990 -6.465 8.480 1.00 0.00 C ATOM 169 CG GLN A 11 -8.460 -6.036 8.492 1.00 0.00 C ATOM 170 CD GLN A 11 -9.051 -5.736 7.118 1.00 0.00 C ATOM 171 OE1 GLN A 11 -8.226 -5.322 6.177 1.00 0.00 O flip ATOM 172 NE2 GLN A 11 -10.247 -5.889 6.906 1.00 0.00 N flip ATOM 0 H GLN A 11 -4.664 -6.280 9.561 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.947 -5.110 7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -6.850 -7.210 7.697 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.760 -6.952 9.428 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.050 -6.823 8.961 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -8.560 -5.148 9.116 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -10.861 -6.211 7.655 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -10.630 -5.695 5.981 1.00 0.00 H new ATOM 181 N LEU A 12 -6.905 -3.091 8.200 1.00 0.00 N ATOM 182 CA LEU A 12 -7.299 -1.791 8.722 1.00 0.00 C ATOM 183 C LEU A 12 -8.557 -1.914 9.580 1.00 0.00 C ATOM 184 O LEU A 12 -8.609 -1.411 10.699 1.00 0.00 O ATOM 185 CB LEU A 12 -7.552 -0.833 7.562 1.00 0.00 C ATOM 186 CG LEU A 12 -7.242 0.645 7.815 1.00 0.00 C ATOM 187 CD1 LEU A 12 -6.744 0.887 9.234 1.00 0.00 C ATOM 188 CD2 LEU A 12 -6.215 1.130 6.807 1.00 0.00 C ATOM 0 H LEU A 12 -7.026 -3.189 7.192 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.494 -1.404 9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.958 -1.165 6.710 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.600 -0.917 7.273 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.168 1.208 7.696 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.536 1.948 9.371 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.507 0.572 9.946 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.832 0.314 9.402 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.996 2.182 6.989 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.301 0.546 6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.611 1.011 5.798 1.00 0.00 H new ATOM 200 N GLY A 13 -9.576 -2.572 9.044 1.00 0.00 N ATOM 201 CA GLY A 13 -10.782 -2.796 9.802 1.00 0.00 C ATOM 202 C GLY A 13 -11.816 -3.539 8.997 1.00 0.00 C ATOM 203 O GLY A 13 -12.097 -4.706 9.258 1.00 0.00 O ATOM 0 H GLY A 13 -9.585 -2.953 8.098 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.546 -3.363 10.703 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.191 -1.839 10.126 1.00 0.00 H new ATOM 207 N ASP A 14 -12.370 -2.867 8.003 1.00 0.00 N ATOM 208 CA ASP A 14 -13.428 -3.450 7.193 1.00 0.00 C ATOM 209 C ASP A 14 -12.949 -3.742 5.780 1.00 0.00 C ATOM 210 O ASP A 14 -12.768 -4.897 5.399 1.00 0.00 O ATOM 211 CB ASP A 14 -14.630 -2.514 7.135 1.00 0.00 C ATOM 212 CG ASP A 14 -15.172 -2.159 8.504 1.00 0.00 C ATOM 213 OD1 ASP A 14 -14.643 -1.215 9.128 1.00 0.00 O ATOM 214 OD2 ASP A 14 -16.134 -2.810 8.963 1.00 0.00 O ATOM 0 H ASP A 14 -12.106 -1.918 7.737 1.00 0.00 H new ATOM 0 HA ASP A 14 -13.718 -4.390 7.662 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.346 -1.599 6.615 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -15.420 -2.983 6.548 1.00 0.00 H new ATOM 219 N SER A 15 -12.736 -2.689 5.004 1.00 0.00 N ATOM 220 CA SER A 15 -12.378 -2.844 3.603 1.00 0.00 C ATOM 221 C SER A 15 -11.248 -1.899 3.227 1.00 0.00 C ATOM 222 O SER A 15 -11.293 -1.211 2.207 1.00 0.00 O ATOM 223 CB SER A 15 -13.600 -2.613 2.716 1.00 0.00 C ATOM 224 OG SER A 15 -14.264 -1.400 3.045 1.00 0.00 O ATOM 0 H SER A 15 -12.805 -1.722 5.320 1.00 0.00 H new ATOM 0 HA SER A 15 -12.027 -3.864 3.446 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.292 -2.588 1.671 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.292 -3.448 2.824 1.00 0.00 H new ATOM 0 HG SER A 15 -14.919 -1.186 2.348 1.00 0.00 H new ATOM 230 N ALA A 16 -10.233 -1.878 4.065 1.00 0.00 N ATOM 231 CA ALA A 16 -9.053 -1.073 3.831 1.00 0.00 C ATOM 232 C ALA A 16 -7.834 -1.824 4.336 1.00 0.00 C ATOM 233 O ALA A 16 -7.951 -2.670 5.226 1.00 0.00 O ATOM 234 CB ALA A 16 -9.178 0.283 4.512 1.00 0.00 C ATOM 0 H ALA A 16 -10.203 -2.419 4.929 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.946 -0.891 2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.279 0.870 4.322 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.046 0.810 4.116 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.298 0.141 5.586 1.00 0.00 H new ATOM 240 N MET A 17 -6.678 -1.544 3.770 1.00 0.00 N ATOM 241 CA MET A 17 -5.461 -2.257 4.165 1.00 0.00 C ATOM 242 C MET A 17 -4.382 -1.310 4.678 1.00 0.00 C ATOM 243 O MET A 17 -4.145 -0.255 4.103 1.00 0.00 O ATOM 244 CB MET A 17 -4.939 -3.091 2.992 1.00 0.00 C ATOM 245 CG MET A 17 -3.530 -3.627 3.179 1.00 0.00 C ATOM 246 SD MET A 17 -3.168 -5.031 2.114 1.00 0.00 S ATOM 247 CE MET A 17 -3.469 -4.328 0.501 1.00 0.00 C ATOM 0 H MET A 17 -6.546 -0.840 3.044 1.00 0.00 H new ATOM 0 HA MET A 17 -5.718 -2.921 4.990 1.00 0.00 H new ATOM 0 HB2 MET A 17 -5.615 -3.930 2.830 1.00 0.00 H new ATOM 0 HB3 MET A 17 -4.966 -2.481 2.089 1.00 0.00 H new ATOM 0 HG2 MET A 17 -2.814 -2.830 2.977 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.394 -3.922 4.219 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.102 -5.009 -0.267 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.539 -4.171 0.366 1.00 0.00 H new ATOM 0 HE3 MET A 17 -2.949 -3.373 0.417 1.00 0.00 H new ATOM 257 N MET A 18 -3.733 -1.697 5.768 1.00 0.00 N ATOM 258 CA MET A 18 -2.637 -0.913 6.314 1.00 0.00 C ATOM 259 C MET A 18 -1.378 -1.760 6.390 1.00 0.00 C ATOM 260 O MET A 18 -1.397 -2.890 6.871 1.00 0.00 O ATOM 261 CB MET A 18 -2.979 -0.344 7.695 1.00 0.00 C ATOM 262 CG MET A 18 -1.824 0.411 8.343 1.00 0.00 C ATOM 263 SD MET A 18 -2.306 1.272 9.853 1.00 0.00 S ATOM 264 CE MET A 18 -3.403 2.523 9.191 1.00 0.00 C ATOM 0 H MET A 18 -3.947 -2.547 6.289 1.00 0.00 H new ATOM 0 HA MET A 18 -2.465 -0.070 5.645 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.834 0.326 7.602 1.00 0.00 H new ATOM 0 HB3 MET A 18 -3.283 -1.160 8.351 1.00 0.00 H new ATOM 0 HG2 MET A 18 -1.021 -0.290 8.571 1.00 0.00 H new ATOM 0 HG3 MET A 18 -1.424 1.133 7.631 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.644 3.245 9.971 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.914 3.034 8.362 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.320 2.052 8.836 1.00 0.00 H new ATOM 274 N ILE A 19 -0.290 -1.208 5.906 1.00 0.00 N ATOM 275 CA ILE A 19 0.981 -1.906 5.877 1.00 0.00 C ATOM 276 C ILE A 19 1.994 -1.147 6.715 1.00 0.00 C ATOM 277 O ILE A 19 2.007 0.074 6.711 1.00 0.00 O ATOM 278 CB ILE A 19 1.501 -2.045 4.426 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.467 -2.769 3.568 1.00 0.00 C ATOM 280 CG2 ILE A 19 2.827 -2.792 4.384 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.163 -2.067 2.266 1.00 0.00 C ATOM 0 H ILE A 19 -0.257 -0.264 5.521 1.00 0.00 H new ATOM 0 HA ILE A 19 0.839 -2.906 6.287 1.00 0.00 H new ATOM 0 HB ILE A 19 1.664 -1.043 4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.826 -3.775 3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.456 -2.875 4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.166 -2.873 3.351 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.570 -2.248 4.968 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.696 -3.790 4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.579 -2.639 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.227 -1.070 2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.075 -1.985 1.675 1.00 0.00 H new ATOM 293 N ARG A 20 2.816 -1.864 7.446 1.00 0.00 N ATOM 294 CA ARG A 20 3.878 -1.249 8.220 1.00 0.00 C ATOM 295 C ARG A 20 5.213 -1.836 7.821 1.00 0.00 C ATOM 296 O ARG A 20 5.450 -3.039 7.952 1.00 0.00 O ATOM 297 CB ARG A 20 3.649 -1.392 9.731 1.00 0.00 C ATOM 298 CG ARG A 20 3.461 -2.818 10.230 1.00 0.00 C ATOM 299 CD ARG A 20 2.031 -3.293 10.040 1.00 0.00 C ATOM 300 NE ARG A 20 1.842 -4.664 10.487 1.00 0.00 N ATOM 301 CZ ARG A 20 1.189 -5.002 11.598 1.00 0.00 C ATOM 302 NH1 ARG A 20 0.745 -4.063 12.426 1.00 0.00 N ATOM 303 NH2 ARG A 20 1.000 -6.281 11.889 1.00 0.00 N ATOM 0 H ARG A 20 2.772 -2.880 7.523 1.00 0.00 H new ATOM 0 HA ARG A 20 3.876 -0.182 7.999 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.498 -0.951 10.253 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.769 -0.810 10.005 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.140 -3.483 9.696 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.726 -2.872 11.286 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.356 -2.637 10.590 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.762 -3.216 8.987 1.00 0.00 H new ATOM 0 HE ARG A 20 2.233 -5.412 9.915 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.903 -3.078 12.212 1.00 0.00 H new ATOM 0 HH12 ARG A 20 0.246 -4.327 13.275 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.354 -7.004 11.263 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.500 -6.542 12.739 1.00 0.00 H new ATOM 317 N PHE A 21 6.071 -0.983 7.298 1.00 0.00 N ATOM 318 CA PHE A 21 7.389 -1.395 6.873 1.00 0.00 C ATOM 319 C PHE A 21 8.334 -1.430 8.062 1.00 0.00 C ATOM 320 O PHE A 21 7.920 -1.242 9.207 1.00 0.00 O ATOM 321 CB PHE A 21 7.937 -0.454 5.794 1.00 0.00 C ATOM 322 CG PHE A 21 7.307 -0.622 4.450 1.00 0.00 C ATOM 323 CD1 PHE A 21 6.023 -0.187 4.218 1.00 0.00 C ATOM 324 CD2 PHE A 21 8.015 -1.206 3.411 1.00 0.00 C ATOM 325 CE1 PHE A 21 5.448 -0.330 2.982 1.00 0.00 C ATOM 326 CE2 PHE A 21 7.441 -1.357 2.165 1.00 0.00 C ATOM 327 CZ PHE A 21 6.152 -0.916 1.948 1.00 0.00 C ATOM 0 H PHE A 21 5.874 0.008 7.157 1.00 0.00 H new ATOM 0 HA PHE A 21 7.312 -2.395 6.447 1.00 0.00 H new ATOM 0 HB2 PHE A 21 7.796 0.576 6.122 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.011 -0.614 5.701 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.462 0.272 5.018 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.026 -1.546 3.578 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.439 0.017 2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.999 -1.818 1.363 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.696 -1.028 0.975 1.00 0.00 H new ATOM 422 N GLN A 28 15.790 2.544 3.713 1.00 0.00 N ATOM 423 CA GLN A 28 15.134 2.458 2.410 1.00 0.00 C ATOM 424 C GLN A 28 13.615 2.335 2.567 1.00 0.00 C ATOM 425 O GLN A 28 12.859 2.853 1.747 1.00 0.00 O ATOM 426 CB GLN A 28 15.702 1.258 1.637 1.00 0.00 C ATOM 427 CG GLN A 28 15.699 1.416 0.124 1.00 0.00 C ATOM 428 CD GLN A 28 14.374 1.066 -0.529 1.00 0.00 C ATOM 429 OE1 GLN A 28 13.515 1.922 -0.723 1.00 0.00 O ATOM 430 NE2 GLN A 28 14.204 -0.202 -0.875 1.00 0.00 N ATOM 0 HA GLN A 28 15.331 3.373 1.851 1.00 0.00 H new ATOM 0 HB2 GLN A 28 16.725 1.082 1.968 1.00 0.00 H new ATOM 0 HB3 GLN A 28 15.126 0.370 1.897 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.954 2.446 -0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 28 16.479 0.784 -0.299 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.942 -0.883 -0.697 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.335 -0.497 -1.320 1.00 0.00 H new ATOM 439 N VAL A 29 13.170 1.676 3.640 1.00 0.00 N ATOM 440 CA VAL A 29 11.736 1.507 3.893 1.00 0.00 C ATOM 441 C VAL A 29 11.025 2.854 3.916 1.00 0.00 C ATOM 442 O VAL A 29 9.953 3.008 3.341 1.00 0.00 O ATOM 443 CB VAL A 29 11.444 0.772 5.226 1.00 0.00 C ATOM 444 CG1 VAL A 29 12.016 -0.631 5.213 1.00 0.00 C ATOM 445 CG2 VAL A 29 11.983 1.549 6.418 1.00 0.00 C ATOM 0 H VAL A 29 13.776 1.253 4.343 1.00 0.00 H new ATOM 0 HA VAL A 29 11.359 0.894 3.074 1.00 0.00 H new ATOM 0 HB VAL A 29 10.361 0.703 5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.796 -1.122 6.161 1.00 0.00 H new ATOM 0 HG12 VAL A 29 11.569 -1.199 4.397 1.00 0.00 H new ATOM 0 HG13 VAL A 29 13.096 -0.582 5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.761 1.006 7.337 1.00 0.00 H new ATOM 0 HG22 VAL A 29 13.062 1.667 6.318 1.00 0.00 H new ATOM 0 HG23 VAL A 29 11.512 2.531 6.455 1.00 0.00 H new ATOM 455 N ASN A 30 11.662 3.829 4.552 1.00 0.00 N ATOM 456 CA ASN A 30 11.085 5.161 4.715 1.00 0.00 C ATOM 457 C ASN A 30 10.960 5.878 3.374 1.00 0.00 C ATOM 458 O ASN A 30 10.177 6.821 3.231 1.00 0.00 O ATOM 459 CB ASN A 30 11.929 5.985 5.705 1.00 0.00 C ATOM 460 CG ASN A 30 12.552 7.229 5.088 1.00 0.00 C ATOM 461 OD1 ASN A 30 11.950 8.301 5.081 1.00 0.00 O ATOM 462 ND2 ASN A 30 13.766 7.094 4.572 1.00 0.00 N ATOM 0 H ASN A 30 12.587 3.722 4.968 1.00 0.00 H new ATOM 0 HA ASN A 30 10.079 5.052 5.121 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.301 6.282 6.545 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.721 5.354 6.107 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.233 7.897 4.150 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.233 6.187 4.597 1.00 0.00 H new ATOM 469 N GLY A 31 11.718 5.419 2.387 1.00 0.00 N ATOM 470 CA GLY A 31 11.656 6.015 1.076 1.00 0.00 C ATOM 471 C GLY A 31 10.595 5.361 0.228 1.00 0.00 C ATOM 472 O GLY A 31 9.787 6.039 -0.407 1.00 0.00 O ATOM 0 H GLY A 31 12.374 4.643 2.476 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.446 7.081 1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.625 5.922 0.586 1.00 0.00 H new ATOM 476 N ILE A 32 10.566 4.036 0.248 1.00 0.00 N ATOM 477 CA ILE A 32 9.648 3.299 -0.597 1.00 0.00 C ATOM 478 C ILE A 32 8.239 3.279 -0.015 1.00 0.00 C ATOM 479 O ILE A 32 7.284 3.079 -0.744 1.00 0.00 O ATOM 480 CB ILE A 32 10.149 1.862 -0.886 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.157 1.616 -2.403 1.00 0.00 C ATOM 482 CG2 ILE A 32 9.319 0.804 -0.166 1.00 0.00 C ATOM 483 CD1 ILE A 32 8.796 1.729 -3.087 1.00 0.00 C ATOM 0 H ILE A 32 11.164 3.456 0.837 1.00 0.00 H new ATOM 0 HA ILE A 32 9.608 3.828 -1.549 1.00 0.00 H new ATOM 0 HB ILE A 32 11.164 1.775 -0.499 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.839 2.328 -2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.559 0.621 -2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.709 -0.186 -0.400 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.372 0.970 0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.281 0.871 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.908 1.538 -4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.111 0.998 -2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.396 2.732 -2.938 1.00 0.00 H new ATOM 495 N VAL A 33 8.089 3.503 1.284 1.00 0.00 N ATOM 496 CA VAL A 33 6.754 3.607 1.855 1.00 0.00 C ATOM 497 C VAL A 33 6.116 4.911 1.389 1.00 0.00 C ATOM 498 O VAL A 33 4.905 5.003 1.193 1.00 0.00 O ATOM 499 CB VAL A 33 6.773 3.552 3.395 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.530 4.733 3.964 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.360 3.495 3.946 1.00 0.00 C ATOM 0 H VAL A 33 8.855 3.614 1.948 1.00 0.00 H new ATOM 0 HA VAL A 33 6.171 2.753 1.511 1.00 0.00 H new ATOM 0 HB VAL A 33 7.291 2.642 3.699 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.531 4.674 5.052 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.557 4.717 3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.048 5.659 3.651 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.395 3.457 5.035 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.811 4.383 3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.858 2.605 3.568 1.00 0.00 H new ATOM 511 N HIS A 34 6.964 5.907 1.178 1.00 0.00 N ATOM 512 CA HIS A 34 6.526 7.196 0.686 1.00 0.00 C ATOM 513 C HIS A 34 6.274 7.096 -0.813 1.00 0.00 C ATOM 514 O HIS A 34 5.333 7.684 -1.340 1.00 0.00 O ATOM 515 CB HIS A 34 7.590 8.260 0.986 1.00 0.00 C ATOM 516 CG HIS A 34 7.091 9.670 0.907 1.00 0.00 C ATOM 517 ND1 HIS A 34 7.094 10.525 1.986 1.00 0.00 N ATOM 518 CD2 HIS A 34 6.600 10.382 -0.132 1.00 0.00 C ATOM 519 CE1 HIS A 34 6.625 11.701 1.613 1.00 0.00 C ATOM 520 NE2 HIS A 34 6.320 11.644 0.330 1.00 0.00 N ATOM 0 H HIS A 34 7.968 5.841 1.343 1.00 0.00 H new ATOM 0 HA HIS A 34 5.602 7.488 1.185 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.991 8.084 1.984 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.416 8.139 0.285 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.455 10.024 -1.140 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.510 12.565 2.251 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.940 12.410 -0.226 1.00 0.00 H new ATOM 529 N ALA A 35 7.110 6.316 -1.488 1.00 0.00 N ATOM 530 CA ALA A 35 6.985 6.124 -2.922 1.00 0.00 C ATOM 531 C ALA A 35 5.895 5.111 -3.244 1.00 0.00 C ATOM 532 O ALA A 35 5.375 5.089 -4.354 1.00 0.00 O ATOM 533 CB ALA A 35 8.315 5.680 -3.508 1.00 0.00 C ATOM 0 H ALA A 35 7.883 5.806 -1.061 1.00 0.00 H new ATOM 0 HA ALA A 35 6.702 7.076 -3.372 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.210 5.539 -4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.070 6.441 -3.314 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.620 4.741 -3.047 1.00 0.00 H new ATOM 539 N ALA A 36 5.549 4.275 -2.266 1.00 0.00 N ATOM 540 CA ALA A 36 4.522 3.253 -2.447 1.00 0.00 C ATOM 541 C ALA A 36 3.163 3.890 -2.674 1.00 0.00 C ATOM 542 O ALA A 36 2.301 3.310 -3.329 1.00 0.00 O ATOM 543 CB ALA A 36 4.462 2.306 -1.255 1.00 0.00 C ATOM 0 H ALA A 36 5.968 4.287 -1.336 1.00 0.00 H new ATOM 0 HA ALA A 36 4.792 2.672 -3.329 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.687 1.558 -1.423 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.425 1.810 -1.136 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.231 2.871 -0.352 1.00 0.00 H new ATOM 549 N ALA A 37 2.985 5.097 -2.148 1.00 0.00 N ATOM 550 CA ALA A 37 1.750 5.830 -2.340 1.00 0.00 C ATOM 551 C ALA A 37 1.583 6.106 -3.815 1.00 0.00 C ATOM 552 O ALA A 37 0.530 5.859 -4.394 1.00 0.00 O ATOM 553 CB ALA A 37 1.764 7.128 -1.543 1.00 0.00 C ATOM 0 H ALA A 37 3.683 5.584 -1.586 1.00 0.00 H new ATOM 0 HA ALA A 37 0.909 5.237 -1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.827 7.663 -1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.878 6.903 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.597 7.749 -1.874 1.00 0.00 H new ATOM 559 N ALA A 38 2.664 6.562 -4.427 1.00 0.00 N ATOM 560 CA ALA A 38 2.681 6.801 -5.852 1.00 0.00 C ATOM 561 C ALA A 38 2.742 5.484 -6.616 1.00 0.00 C ATOM 562 O ALA A 38 2.150 5.351 -7.678 1.00 0.00 O ATOM 563 CB ALA A 38 3.848 7.699 -6.232 1.00 0.00 C ATOM 0 H ALA A 38 3.542 6.773 -3.953 1.00 0.00 H new ATOM 0 HA ALA A 38 1.757 7.311 -6.125 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.843 7.866 -7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.755 8.654 -5.716 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.784 7.221 -5.944 1.00 0.00 H new ATOM 569 N TYR A 39 3.451 4.511 -6.051 1.00 0.00 N ATOM 570 CA TYR A 39 3.597 3.188 -6.656 1.00 0.00 C ATOM 571 C TYR A 39 2.228 2.568 -6.943 1.00 0.00 C ATOM 572 O TYR A 39 2.017 1.948 -7.989 1.00 0.00 O ATOM 573 CB TYR A 39 4.403 2.272 -5.723 1.00 0.00 C ATOM 574 CG TYR A 39 4.875 0.989 -6.371 1.00 0.00 C ATOM 575 CD1 TYR A 39 3.997 -0.060 -6.600 1.00 0.00 C ATOM 576 CD2 TYR A 39 6.199 0.834 -6.758 1.00 0.00 C ATOM 577 CE1 TYR A 39 4.421 -1.225 -7.202 1.00 0.00 C ATOM 578 CE2 TYR A 39 6.634 -0.332 -7.357 1.00 0.00 C ATOM 579 CZ TYR A 39 5.739 -1.359 -7.576 1.00 0.00 C ATOM 580 OH TYR A 39 6.153 -2.516 -8.191 1.00 0.00 O ATOM 0 H TYR A 39 3.940 4.616 -5.162 1.00 0.00 H new ATOM 0 HA TYR A 39 4.129 3.298 -7.601 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.270 2.820 -5.354 1.00 0.00 H new ATOM 0 HB3 TYR A 39 3.790 2.024 -4.856 1.00 0.00 H new ATOM 0 HD1 TYR A 39 2.964 0.038 -6.302 1.00 0.00 H new ATOM 0 HD2 TYR A 39 6.900 1.638 -6.588 1.00 0.00 H new ATOM 0 HE1 TYR A 39 3.722 -2.029 -7.380 1.00 0.00 H new ATOM 0 HE2 TYR A 39 7.667 -0.439 -7.652 1.00 0.00 H new ATOM 0 HH TYR A 39 7.110 -2.455 -8.393 1.00 0.00 H new ATOM 590 N ILE A 40 1.302 2.734 -6.009 1.00 0.00 N ATOM 591 CA ILE A 40 -0.040 2.193 -6.158 1.00 0.00 C ATOM 592 C ILE A 40 -0.876 3.041 -7.119 1.00 0.00 C ATOM 593 O ILE A 40 -1.788 2.536 -7.764 1.00 0.00 O ATOM 594 CB ILE A 40 -0.740 2.094 -4.788 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.087 1.214 -3.857 1.00 0.00 C ATOM 596 CG2 ILE A 40 -2.148 1.525 -4.926 1.00 0.00 C ATOM 597 CD1 ILE A 40 -0.233 1.421 -2.398 1.00 0.00 C ATOM 0 H ILE A 40 1.457 3.241 -5.138 1.00 0.00 H new ATOM 0 HA ILE A 40 0.050 1.192 -6.580 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.823 3.097 -4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.081 0.168 -4.113 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.145 1.417 -4.022 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.615 1.468 -3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.740 2.173 -5.572 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.096 0.527 -5.362 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.391 0.764 -1.792 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.038 2.459 -2.126 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.283 1.190 -2.220 1.00 0.00 H new ATOM 609 N GLU A 41 -0.551 4.323 -7.225 1.00 0.00 N ATOM 610 CA GLU A 41 -1.267 5.217 -8.130 1.00 0.00 C ATOM 611 C GLU A 41 -0.794 5.048 -9.567 1.00 0.00 C ATOM 612 O GLU A 41 -1.596 5.051 -10.503 1.00 0.00 O ATOM 613 CB GLU A 41 -1.094 6.653 -7.704 1.00 0.00 C ATOM 614 CG GLU A 41 -1.628 6.953 -6.319 1.00 0.00 C ATOM 615 CD GLU A 41 -1.546 8.421 -5.974 1.00 0.00 C ATOM 616 OE1 GLU A 41 -2.414 9.190 -6.435 1.00 0.00 O ATOM 617 OE2 GLU A 41 -0.611 8.819 -5.246 1.00 0.00 O ATOM 0 H GLU A 41 0.201 4.767 -6.698 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.323 4.953 -8.082 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.034 6.906 -7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.598 7.298 -8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.665 6.625 -6.254 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.065 6.378 -5.584 1.00 0.00 H new ATOM 624 N GLU A 42 0.515 4.915 -9.732 1.00 0.00 N ATOM 625 CA GLU A 42 1.114 4.677 -11.036 1.00 0.00 C ATOM 626 C GLU A 42 0.642 3.342 -11.595 1.00 0.00 C ATOM 627 O GLU A 42 0.447 3.185 -12.801 1.00 0.00 O ATOM 628 CB GLU A 42 2.641 4.673 -10.923 1.00 0.00 C ATOM 629 CG GLU A 42 3.232 5.998 -10.471 1.00 0.00 C ATOM 630 CD GLU A 42 3.049 7.097 -11.491 1.00 0.00 C ATOM 631 OE1 GLU A 42 3.611 6.978 -12.598 1.00 0.00 O ATOM 632 OE2 GLU A 42 2.353 8.091 -11.193 1.00 0.00 O ATOM 0 H GLU A 42 1.189 4.969 -8.968 1.00 0.00 H new ATOM 0 HA GLU A 42 0.806 5.477 -11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.941 3.895 -10.221 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.066 4.409 -11.892 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.766 6.298 -9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.295 5.867 -10.271 1.00 0.00 H new ATOM 639 N GLN A 43 0.461 2.380 -10.701 1.00 0.00 N ATOM 640 CA GLN A 43 0.019 1.050 -11.083 1.00 0.00 C ATOM 641 C GLN A 43 -1.168 0.628 -10.218 1.00 0.00 C ATOM 642 O GLN A 43 -1.020 -0.163 -9.288 1.00 0.00 O ATOM 643 CB GLN A 43 1.170 0.055 -10.927 1.00 0.00 C ATOM 644 CG GLN A 43 2.440 0.479 -11.648 1.00 0.00 C ATOM 645 CD GLN A 43 3.541 -0.548 -11.532 1.00 0.00 C ATOM 646 OE1 GLN A 43 3.638 -1.464 -12.346 1.00 0.00 O ATOM 647 NE2 GLN A 43 4.396 -0.387 -10.538 1.00 0.00 N ATOM 0 H GLN A 43 0.615 2.499 -9.700 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.295 1.062 -12.127 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.389 -0.072 -9.867 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.854 -0.917 -11.306 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.216 0.650 -12.701 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.787 1.427 -11.238 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.278 0.387 -9.885 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.174 -1.037 -10.424 1.00 0.00 H new ATOM 656 N PRO A 44 -2.364 1.168 -10.492 1.00 0.00 N ATOM 657 CA PRO A 44 -3.538 0.933 -9.672 1.00 0.00 C ATOM 658 C PRO A 44 -4.417 -0.201 -10.187 1.00 0.00 C ATOM 659 O PRO A 44 -4.143 -0.811 -11.221 1.00 0.00 O ATOM 660 CB PRO A 44 -4.268 2.264 -9.794 1.00 0.00 C ATOM 661 CG PRO A 44 -3.996 2.707 -11.195 1.00 0.00 C ATOM 662 CD PRO A 44 -2.686 2.064 -11.616 1.00 0.00 C ATOM 0 HA PRO A 44 -3.283 0.631 -8.656 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.337 2.150 -9.613 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.898 2.989 -9.069 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.805 2.404 -11.859 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.928 3.793 -11.250 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.792 1.513 -12.551 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.905 2.809 -11.772 1.00 0.00 H new ATOM 670 N PHE A 45 -5.472 -0.469 -9.441 1.00 0.00 N ATOM 671 CA PHE A 45 -6.483 -1.438 -9.819 1.00 0.00 C ATOM 672 C PHE A 45 -7.826 -0.721 -9.883 1.00 0.00 C ATOM 673 O PHE A 45 -8.040 0.239 -9.154 1.00 0.00 O ATOM 674 CB PHE A 45 -6.509 -2.606 -8.818 1.00 0.00 C ATOM 675 CG PHE A 45 -6.285 -2.193 -7.387 1.00 0.00 C ATOM 676 CD1 PHE A 45 -7.326 -1.705 -6.619 1.00 0.00 C ATOM 677 CD2 PHE A 45 -5.025 -2.297 -6.813 1.00 0.00 C ATOM 678 CE1 PHE A 45 -7.119 -1.325 -5.307 1.00 0.00 C ATOM 679 CE2 PHE A 45 -4.813 -1.919 -5.502 1.00 0.00 C ATOM 680 CZ PHE A 45 -5.861 -1.431 -4.748 1.00 0.00 C ATOM 0 H PHE A 45 -5.653 -0.015 -8.546 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.257 -1.865 -10.796 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.471 -3.113 -8.892 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.744 -3.330 -9.100 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -8.313 -1.620 -7.050 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.201 -2.678 -7.399 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.941 -0.945 -4.719 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.828 -2.005 -5.067 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.697 -1.133 -3.723 1.00 0.00 H new ATOM 690 N PRO A 46 -8.712 -1.142 -10.804 1.00 0.00 N ATOM 691 CA PRO A 46 -9.956 -0.419 -11.150 1.00 0.00 C ATOM 692 C PRO A 46 -10.772 0.093 -9.954 1.00 0.00 C ATOM 693 O PRO A 46 -11.476 1.098 -10.073 1.00 0.00 O ATOM 694 CB PRO A 46 -10.751 -1.466 -11.927 1.00 0.00 C ATOM 695 CG PRO A 46 -9.716 -2.317 -12.566 1.00 0.00 C ATOM 696 CD PRO A 46 -8.572 -2.382 -11.593 1.00 0.00 C ATOM 0 HA PRO A 46 -9.726 0.495 -11.698 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.392 -2.049 -11.266 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -11.398 -1.002 -12.671 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -10.106 -3.313 -12.777 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.395 -1.893 -13.517 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.634 -3.268 -10.961 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.611 -2.423 -12.107 1.00 0.00 H new ATOM 704 N GLY A 47 -10.677 -0.585 -8.817 1.00 0.00 N ATOM 705 CA GLY A 47 -11.447 -0.198 -7.650 1.00 0.00 C ATOM 706 C GLY A 47 -10.599 0.489 -6.602 1.00 0.00 C ATOM 707 O GLY A 47 -10.959 0.528 -5.428 1.00 0.00 O ATOM 0 H GLY A 47 -10.078 -1.399 -8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -12.254 0.469 -7.955 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.912 -1.083 -7.215 1.00 0.00 H new ATOM 711 N PHE A 48 -9.461 1.005 -7.024 1.00 0.00 N ATOM 712 CA PHE A 48 -8.572 1.751 -6.139 1.00 0.00 C ATOM 713 C PHE A 48 -9.234 3.037 -5.638 1.00 0.00 C ATOM 714 O PHE A 48 -9.872 3.764 -6.401 1.00 0.00 O ATOM 715 CB PHE A 48 -7.267 2.070 -6.883 1.00 0.00 C ATOM 716 CG PHE A 48 -6.422 3.132 -6.242 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.713 2.872 -5.083 1.00 0.00 C ATOM 718 CD2 PHE A 48 -6.335 4.391 -6.812 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.933 3.852 -4.504 1.00 0.00 C ATOM 720 CE2 PHE A 48 -5.558 5.374 -6.236 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.856 5.105 -5.080 1.00 0.00 C ATOM 0 H PHE A 48 -9.123 0.923 -7.983 1.00 0.00 H new ATOM 0 HA PHE A 48 -8.353 1.137 -5.266 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.678 1.156 -6.964 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.511 2.383 -7.898 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.770 1.894 -4.628 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.882 4.606 -7.718 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.382 3.639 -3.600 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.499 6.352 -6.689 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.247 5.873 -4.626 1.00 0.00 H new ATOM 731 N ILE A 49 -9.077 3.302 -4.344 1.00 0.00 N ATOM 732 CA ILE A 49 -9.663 4.480 -3.719 1.00 0.00 C ATOM 733 C ILE A 49 -8.594 5.517 -3.367 1.00 0.00 C ATOM 734 O ILE A 49 -8.641 6.652 -3.842 1.00 0.00 O ATOM 735 CB ILE A 49 -10.445 4.090 -2.446 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.645 3.215 -2.806 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.896 5.316 -1.667 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.660 3.887 -3.704 1.00 0.00 C ATOM 0 H ILE A 49 -8.545 2.711 -3.705 1.00 0.00 H new ATOM 0 HA ILE A 49 -10.349 4.923 -4.441 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.772 3.521 -1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -11.286 2.311 -3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -12.141 2.903 -1.887 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.443 5.001 -0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.024 5.899 -1.369 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -11.544 5.927 -2.294 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.478 3.196 -3.910 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -13.052 4.776 -3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -12.183 4.174 -4.641 1.00 0.00 H new ATOM 750 N GLU A 50 -7.629 5.125 -2.541 1.00 0.00 N ATOM 751 CA GLU A 50 -6.608 6.058 -2.067 1.00 0.00 C ATOM 752 C GLU A 50 -5.444 5.301 -1.430 1.00 0.00 C ATOM 753 O GLU A 50 -5.575 4.136 -1.077 1.00 0.00 O ATOM 754 CB GLU A 50 -7.229 7.036 -1.057 1.00 0.00 C ATOM 755 CG GLU A 50 -6.291 8.139 -0.591 1.00 0.00 C ATOM 756 CD GLU A 50 -6.980 9.149 0.302 1.00 0.00 C ATOM 757 OE1 GLU A 50 -7.589 10.099 -0.236 1.00 0.00 O ATOM 758 OE2 GLU A 50 -6.920 8.997 1.538 1.00 0.00 O ATOM 0 H GLU A 50 -7.531 4.174 -2.187 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.222 6.621 -2.917 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.111 7.492 -1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.569 6.474 -0.187 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.453 7.695 -0.053 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.877 8.650 -1.460 1.00 0.00 H new ATOM 765 N CYS A 51 -4.304 5.960 -1.310 1.00 0.00 N ATOM 766 CA CYS A 51 -3.143 5.380 -0.655 1.00 0.00 C ATOM 767 C CYS A 51 -2.284 6.484 -0.058 1.00 0.00 C ATOM 768 O CYS A 51 -1.800 7.365 -0.770 1.00 0.00 O ATOM 769 CB CYS A 51 -2.333 4.546 -1.647 1.00 0.00 C ATOM 770 SG CYS A 51 -2.128 5.327 -3.262 1.00 0.00 S ATOM 0 H CYS A 51 -4.157 6.906 -1.661 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.479 4.723 0.147 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.349 4.348 -1.222 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.822 3.581 -1.780 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.006 4.846 -4.091 1.00 0.00 H new ATOM 776 N ILE A 52 -2.115 6.445 1.251 1.00 0.00 N ATOM 777 CA ILE A 52 -1.360 7.475 1.950 1.00 0.00 C ATOM 778 C ILE A 52 -0.210 6.884 2.761 1.00 0.00 C ATOM 779 O ILE A 52 -0.363 5.860 3.427 1.00 0.00 O ATOM 780 CB ILE A 52 -2.276 8.302 2.871 1.00 0.00 C ATOM 781 CG1 ILE A 52 -3.267 7.391 3.597 1.00 0.00 C ATOM 782 CG2 ILE A 52 -3.002 9.362 2.060 1.00 0.00 C ATOM 783 CD1 ILE A 52 -4.144 8.111 4.595 1.00 0.00 C ATOM 0 H ILE A 52 -2.489 5.712 1.854 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.937 8.130 1.188 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.667 8.801 3.625 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.901 6.900 2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.713 6.607 4.114 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.648 9.944 2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.274 10.023 1.590 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.606 8.881 1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.819 7.397 5.068 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.520 8.579 5.356 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.726 8.876 4.082 1.00 0.00 H new ATOM 795 N PRO A 53 0.968 7.519 2.688 1.00 0.00 N ATOM 796 CA PRO A 53 2.150 7.089 3.420 1.00 0.00 C ATOM 797 C PRO A 53 2.214 7.686 4.827 1.00 0.00 C ATOM 798 O PRO A 53 1.574 8.702 5.111 1.00 0.00 O ATOM 799 CB PRO A 53 3.290 7.616 2.550 1.00 0.00 C ATOM 800 CG PRO A 53 2.744 8.837 1.879 1.00 0.00 C ATOM 801 CD PRO A 53 1.237 8.723 1.886 1.00 0.00 C ATOM 0 HA PRO A 53 2.175 6.011 3.580 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.166 7.857 3.153 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.602 6.871 1.818 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.063 9.738 2.403 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.118 8.913 0.858 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.773 9.606 2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.841 8.625 0.875 1.00 0.00 H new ATOM 809 N ALA A 54 2.975 7.049 5.701 1.00 0.00 N ATOM 810 CA ALA A 54 3.139 7.528 7.063 1.00 0.00 C ATOM 811 C ALA A 54 4.544 7.237 7.584 1.00 0.00 C ATOM 812 O ALA A 54 4.706 6.678 8.670 1.00 0.00 O ATOM 813 CB ALA A 54 2.093 6.899 7.970 1.00 0.00 C ATOM 0 H ALA A 54 3.491 6.195 5.490 1.00 0.00 H new ATOM 0 HA ALA A 54 3.000 8.609 7.063 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.226 7.266 8.988 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.097 7.165 7.616 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.205 5.815 7.957 1.00 0.00 H new ATOM 819 N PHE A 55 5.553 7.584 6.776 1.00 0.00 N ATOM 820 CA PHE A 55 6.973 7.478 7.155 1.00 0.00 C ATOM 821 C PHE A 55 7.458 6.027 7.192 1.00 0.00 C ATOM 822 O PHE A 55 8.522 5.711 6.664 1.00 0.00 O ATOM 823 CB PHE A 55 7.237 8.162 8.504 1.00 0.00 C ATOM 824 CG PHE A 55 8.678 8.111 8.942 1.00 0.00 C ATOM 825 CD1 PHE A 55 9.625 8.927 8.340 1.00 0.00 C ATOM 826 CD2 PHE A 55 9.083 7.254 9.954 1.00 0.00 C ATOM 827 CE1 PHE A 55 10.947 8.887 8.741 1.00 0.00 C ATOM 828 CE2 PHE A 55 10.404 7.211 10.357 1.00 0.00 C ATOM 829 CZ PHE A 55 11.337 8.029 9.750 1.00 0.00 C ATOM 0 H PHE A 55 5.410 7.949 5.834 1.00 0.00 H new ATOM 0 HA PHE A 55 7.542 7.994 6.382 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.924 9.204 8.440 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.618 7.690 9.267 1.00 0.00 H new ATOM 0 HD1 PHE A 55 9.326 9.600 7.550 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.358 6.613 10.433 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.675 9.527 8.265 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.707 6.538 11.146 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.370 7.997 10.064 1.00 0.00 H new ATOM 839 N THR A 56 6.693 5.160 7.832 1.00 0.00 N ATOM 840 CA THR A 56 7.024 3.745 7.893 1.00 0.00 C ATOM 841 C THR A 56 5.794 2.887 7.585 1.00 0.00 C ATOM 842 O THR A 56 5.913 1.729 7.188 1.00 0.00 O ATOM 843 CB THR A 56 7.615 3.372 9.275 1.00 0.00 C ATOM 844 OG1 THR A 56 7.858 1.963 9.364 1.00 0.00 O ATOM 845 CG2 THR A 56 6.685 3.799 10.402 1.00 0.00 C ATOM 0 H THR A 56 5.833 5.412 8.320 1.00 0.00 H new ATOM 0 HA THR A 56 7.782 3.545 7.135 1.00 0.00 H new ATOM 0 HB THR A 56 8.561 3.903 9.378 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.232 1.751 10.244 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.125 3.525 11.361 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.540 4.879 10.365 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.723 3.300 10.288 1.00 0.00 H new ATOM 853 N SER A 57 4.613 3.468 7.734 1.00 0.00 N ATOM 854 CA SER A 57 3.380 2.751 7.461 1.00 0.00 C ATOM 855 C SER A 57 2.729 3.262 6.183 1.00 0.00 C ATOM 856 O SER A 57 2.917 4.411 5.793 1.00 0.00 O ATOM 857 CB SER A 57 2.418 2.892 8.640 1.00 0.00 C ATOM 858 OG SER A 57 2.984 2.356 9.824 1.00 0.00 O ATOM 0 H SER A 57 4.484 4.432 8.042 1.00 0.00 H new ATOM 0 HA SER A 57 3.618 1.696 7.324 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.175 3.944 8.792 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.483 2.379 8.415 1.00 0.00 H new ATOM 0 HG SER A 57 2.351 2.459 10.565 1.00 0.00 H new ATOM 864 N LEU A 58 1.985 2.389 5.532 1.00 0.00 N ATOM 865 CA LEU A 58 1.284 2.717 4.305 1.00 0.00 C ATOM 866 C LEU A 58 -0.191 2.376 4.453 1.00 0.00 C ATOM 867 O LEU A 58 -0.546 1.235 4.749 1.00 0.00 O ATOM 868 CB LEU A 58 1.886 1.938 3.134 1.00 0.00 C ATOM 869 CG LEU A 58 1.259 2.223 1.769 1.00 0.00 C ATOM 870 CD1 LEU A 58 1.572 3.644 1.316 1.00 0.00 C ATOM 871 CD2 LEU A 58 1.740 1.211 0.742 1.00 0.00 C ATOM 0 H LEU A 58 1.849 1.427 5.841 1.00 0.00 H new ATOM 0 HA LEU A 58 1.387 3.784 4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.951 2.161 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.794 0.872 3.342 1.00 0.00 H new ATOM 0 HG LEU A 58 0.177 2.130 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.116 3.824 0.343 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.173 4.353 2.041 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.652 3.772 1.240 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.284 1.428 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.825 1.270 0.653 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.456 0.208 1.060 1.00 0.00 H new ATOM 883 N THR A 59 -1.040 3.362 4.261 1.00 0.00 N ATOM 884 CA THR A 59 -2.467 3.176 4.409 1.00 0.00 C ATOM 885 C THR A 59 -3.134 3.102 3.037 1.00 0.00 C ATOM 886 O THR A 59 -3.246 4.108 2.334 1.00 0.00 O ATOM 887 CB THR A 59 -3.065 4.328 5.231 1.00 0.00 C ATOM 888 OG1 THR A 59 -2.216 4.609 6.352 1.00 0.00 O ATOM 889 CG2 THR A 59 -4.453 3.979 5.733 1.00 0.00 C ATOM 0 H THR A 59 -0.764 4.308 4.000 1.00 0.00 H new ATOM 0 HA THR A 59 -2.648 2.239 4.935 1.00 0.00 H new ATOM 0 HB THR A 59 -3.139 5.203 4.586 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.597 5.345 6.875 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.851 4.813 6.311 1.00 0.00 H new ATOM 0 HG22 THR A 59 -5.108 3.781 4.884 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.399 3.092 6.365 1.00 0.00 H new ATOM 897 N VAL A 60 -3.557 1.902 2.656 1.00 0.00 N ATOM 898 CA VAL A 60 -4.128 1.665 1.337 1.00 0.00 C ATOM 899 C VAL A 60 -5.643 1.500 1.412 1.00 0.00 C ATOM 900 O VAL A 60 -6.160 0.596 2.073 1.00 0.00 O ATOM 901 CB VAL A 60 -3.510 0.419 0.663 1.00 0.00 C ATOM 902 CG1 VAL A 60 -4.082 0.219 -0.733 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.997 0.543 0.609 1.00 0.00 C ATOM 0 H VAL A 60 -3.514 1.072 3.248 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.894 2.541 0.733 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.765 -0.456 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.632 -0.664 -1.187 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.162 0.083 -0.668 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.863 1.094 -1.345 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.576 -0.342 0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.725 1.429 0.035 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.603 0.631 1.621 1.00 0.00 H new ATOM 913 N PHE A 61 -6.339 2.384 0.722 1.00 0.00 N ATOM 914 CA PHE A 61 -7.787 2.358 0.649 1.00 0.00 C ATOM 915 C PHE A 61 -8.216 1.876 -0.729 1.00 0.00 C ATOM 916 O PHE A 61 -7.555 2.161 -1.731 1.00 0.00 O ATOM 917 CB PHE A 61 -8.354 3.754 0.886 1.00 0.00 C ATOM 918 CG PHE A 61 -8.047 4.349 2.231 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.821 4.953 2.480 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.997 4.331 3.238 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.556 5.523 3.708 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.734 4.896 4.469 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.512 5.493 4.704 1.00 0.00 C ATOM 0 H PHE A 61 -5.912 3.145 0.193 1.00 0.00 H new ATOM 0 HA PHE A 61 -8.165 1.682 1.416 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.969 4.421 0.115 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.436 3.715 0.762 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.069 4.977 1.705 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.956 3.869 3.058 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.601 5.993 3.890 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.483 4.871 5.247 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.304 5.936 5.666 1.00 0.00 H new ATOM 933 N TYR A 62 -9.329 1.174 -0.782 1.00 0.00 N ATOM 934 CA TYR A 62 -9.800 0.579 -2.021 1.00 0.00 C ATOM 935 C TYR A 62 -11.242 0.124 -1.882 1.00 0.00 C ATOM 936 O TYR A 62 -11.790 0.075 -0.778 1.00 0.00 O ATOM 937 CB TYR A 62 -8.908 -0.598 -2.421 1.00 0.00 C ATOM 938 CG TYR A 62 -8.553 -1.499 -1.263 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.526 -2.243 -0.614 1.00 0.00 C ATOM 940 CD2 TYR A 62 -7.244 -1.590 -0.807 1.00 0.00 C ATOM 941 CE1 TYR A 62 -9.205 -3.050 0.454 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.919 -2.401 0.261 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.907 -3.127 0.885 1.00 0.00 C ATOM 944 OH TYR A 62 -7.600 -3.937 1.948 1.00 0.00 O ATOM 0 H TYR A 62 -9.930 0.999 0.023 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.751 1.335 -2.804 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.415 -1.185 -3.187 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.991 -0.214 -2.868 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.551 -2.189 -0.951 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.469 -1.018 -1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.975 -3.621 0.951 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.897 -2.465 0.604 1.00 0.00 H new ATOM 0 HH TYR A 62 -8.269 -3.818 2.654 1.00 0.00 H new ATOM 954 N ASP A 63 -11.847 -0.199 -3.005 1.00 0.00 N ATOM 955 CA ASP A 63 -13.225 -0.625 -3.035 1.00 0.00 C ATOM 956 C ASP A 63 -13.281 -2.137 -3.092 1.00 0.00 C ATOM 957 O ASP A 63 -12.815 -2.758 -4.053 1.00 0.00 O ATOM 958 CB ASP A 63 -13.949 -0.028 -4.237 1.00 0.00 C ATOM 959 CG ASP A 63 -15.447 0.051 -4.009 1.00 0.00 C ATOM 960 OD1 ASP A 63 -16.059 -0.987 -3.678 1.00 0.00 O ATOM 961 OD2 ASP A 63 -16.018 1.157 -4.135 1.00 0.00 O ATOM 0 H ASP A 63 -11.396 -0.173 -3.920 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.723 -0.275 -2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.559 0.970 -4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.747 -0.633 -5.121 1.00 0.00 H new ATOM 966 N MET A 64 -13.857 -2.720 -2.062 1.00 0.00 N ATOM 967 CA MET A 64 -13.891 -4.165 -1.907 1.00 0.00 C ATOM 968 C MET A 64 -14.692 -4.836 -3.018 1.00 0.00 C ATOM 969 O MET A 64 -14.474 -6.004 -3.309 1.00 0.00 O ATOM 970 CB MET A 64 -14.469 -4.547 -0.539 1.00 0.00 C ATOM 971 CG MET A 64 -15.860 -3.989 -0.278 1.00 0.00 C ATOM 972 SD MET A 64 -15.845 -2.205 0.003 1.00 0.00 S ATOM 973 CE MET A 64 -17.511 -1.769 -0.482 1.00 0.00 C ATOM 0 H MET A 64 -14.315 -2.209 -1.307 1.00 0.00 H new ATOM 0 HA MET A 64 -12.863 -4.522 -1.974 1.00 0.00 H new ATOM 0 HB2 MET A 64 -14.504 -5.634 -0.461 1.00 0.00 H new ATOM 0 HB3 MET A 64 -13.794 -4.193 0.241 1.00 0.00 H new ATOM 0 HG2 MET A 64 -16.504 -4.215 -1.128 1.00 0.00 H new ATOM 0 HG3 MET A 64 -16.291 -4.487 0.590 1.00 0.00 H new ATOM 0 HE1 MET A 64 -17.655 -0.695 -0.364 1.00 0.00 H new ATOM 0 HE2 MET A 64 -17.670 -2.044 -1.525 1.00 0.00 H new ATOM 0 HE3 MET A 64 -18.224 -2.302 0.147 1.00 0.00 H new ATOM 983 N TYR A 65 -15.594 -4.095 -3.657 1.00 0.00 N ATOM 984 CA TYR A 65 -16.472 -4.682 -4.666 1.00 0.00 C ATOM 985 C TYR A 65 -15.690 -5.068 -5.919 1.00 0.00 C ATOM 986 O TYR A 65 -16.057 -6.011 -6.625 1.00 0.00 O ATOM 987 CB TYR A 65 -17.604 -3.706 -5.037 1.00 0.00 C ATOM 988 CG TYR A 65 -17.421 -3.005 -6.376 1.00 0.00 C ATOM 989 CD1 TYR A 65 -16.648 -1.852 -6.488 1.00 0.00 C ATOM 990 CD2 TYR A 65 -18.015 -3.504 -7.528 1.00 0.00 C ATOM 991 CE1 TYR A 65 -16.475 -1.223 -7.705 1.00 0.00 C ATOM 992 CE2 TYR A 65 -17.847 -2.879 -8.748 1.00 0.00 C ATOM 993 CZ TYR A 65 -17.077 -1.740 -8.831 1.00 0.00 C ATOM 994 OH TYR A 65 -16.904 -1.122 -10.048 1.00 0.00 O ATOM 0 H TYR A 65 -15.736 -3.098 -3.497 1.00 0.00 H new ATOM 0 HA TYR A 65 -16.908 -5.585 -4.238 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.547 -4.253 -5.054 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.687 -2.951 -4.255 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.175 -1.443 -5.607 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -18.619 -4.397 -7.469 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.871 -0.330 -7.774 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -18.317 -3.282 -9.633 1.00 0.00 H new ATOM 0 HH TYR A 65 -17.395 -1.615 -10.738 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.597 -4.361 -6.179 1.00 0.00 N ATOM 1005 CA GLU A 66 -13.884 -4.528 -7.434 1.00 0.00 C ATOM 1006 C GLU A 66 -12.855 -5.616 -7.253 1.00 0.00 C ATOM 1007 O GLU A 66 -12.714 -6.512 -8.084 1.00 0.00 O ATOM 1008 CB GLU A 66 -13.236 -3.201 -7.848 1.00 0.00 C ATOM 1009 CG GLU A 66 -12.696 -3.171 -9.271 1.00 0.00 C ATOM 1010 CD GLU A 66 -11.350 -3.855 -9.418 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -10.374 -3.381 -8.801 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -11.268 -4.852 -10.165 1.00 0.00 O ATOM 0 H GLU A 66 -14.190 -3.674 -5.544 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.569 -4.817 -8.231 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -13.971 -2.404 -7.736 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.420 -2.981 -7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.414 -3.652 -9.935 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.606 -2.134 -9.596 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.181 -5.555 -6.123 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.197 -6.550 -5.763 1.00 0.00 C ATOM 1021 C VAL A 67 -11.883 -7.893 -5.517 1.00 0.00 C ATOM 1022 O VAL A 67 -11.290 -8.940 -5.714 1.00 0.00 O ATOM 1023 CB VAL A 67 -10.402 -6.103 -4.519 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -10.003 -4.642 -4.661 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -11.200 -6.317 -3.243 1.00 0.00 C ATOM 0 H VAL A 67 -12.301 -4.815 -5.431 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.492 -6.664 -6.587 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.503 -6.715 -4.449 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.442 -4.331 -3.780 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.383 -4.519 -5.549 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.898 -4.028 -4.756 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -10.610 -5.992 -2.386 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.123 -5.738 -3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -11.440 -7.375 -3.137 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.149 -7.837 -5.105 1.00 0.00 N ATOM 1036 CA TYR A 68 -13.976 -9.026 -4.906 1.00 0.00 C ATOM 1037 C TYR A 68 -14.253 -9.723 -6.238 1.00 0.00 C ATOM 1038 O TYR A 68 -14.566 -10.910 -6.273 1.00 0.00 O ATOM 1039 CB TYR A 68 -15.288 -8.648 -4.208 1.00 0.00 C ATOM 1040 CG TYR A 68 -15.948 -9.791 -3.464 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -15.487 -10.173 -2.213 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -17.033 -10.474 -3.999 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -16.085 -11.202 -1.513 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -17.637 -11.507 -3.307 1.00 0.00 C ATOM 1045 CZ TYR A 68 -17.159 -11.866 -2.064 1.00 0.00 C ATOM 1046 OH TYR A 68 -17.762 -12.893 -1.364 1.00 0.00 O ATOM 0 H TYR A 68 -13.631 -6.962 -4.899 1.00 0.00 H new ATOM 0 HA TYR A 68 -13.432 -9.723 -4.268 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.092 -7.837 -3.506 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -15.985 -8.264 -4.953 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -14.644 -9.656 -1.778 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -17.411 -10.193 -4.971 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.713 -11.485 -0.539 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -18.478 -12.030 -3.737 1.00 0.00 H new ATOM 0 HH TYR A 68 -18.505 -13.256 -1.891 1.00 0.00 H new ATOM 1056 N LYS A 69 -14.144 -8.979 -7.332 1.00 0.00 N ATOM 1057 CA LYS A 69 -14.242 -9.572 -8.658 1.00 0.00 C ATOM 1058 C LYS A 69 -12.957 -10.324 -8.957 1.00 0.00 C ATOM 1059 O LYS A 69 -12.957 -11.354 -9.633 1.00 0.00 O ATOM 1060 CB LYS A 69 -14.449 -8.503 -9.724 1.00 0.00 C ATOM 1061 CG LYS A 69 -15.630 -8.772 -10.640 1.00 0.00 C ATOM 1062 CD LYS A 69 -16.953 -8.408 -9.985 1.00 0.00 C ATOM 1063 CE LYS A 69 -17.090 -6.903 -9.793 1.00 0.00 C ATOM 1064 NZ LYS A 69 -18.443 -6.521 -9.302 1.00 0.00 N ATOM 0 H LYS A 69 -13.989 -7.971 -7.327 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.098 -10.247 -8.674 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -14.592 -7.539 -9.236 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.544 -8.424 -10.327 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.512 -8.201 -11.561 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.641 -9.826 -10.918 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.776 -8.773 -10.599 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.031 -8.907 -9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -16.337 -6.559 -9.084 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -16.892 -6.398 -10.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -18.433 -5.528 -8.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -19.136 -6.638 -10.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -18.706 -7.130 -8.501 1.00 0.00 H new ATOM 1078 N HIS A 70 -11.861 -9.781 -8.450 1.00 0.00 N ATOM 1079 CA HIS A 70 -10.553 -10.389 -8.608 1.00 0.00 C ATOM 1080 C HIS A 70 -10.425 -11.582 -7.661 1.00 0.00 C ATOM 1081 O HIS A 70 -9.844 -12.598 -8.028 1.00 0.00 O ATOM 1082 CB HIS A 70 -9.464 -9.338 -8.332 1.00 0.00 C ATOM 1083 CG HIS A 70 -8.058 -9.799 -8.583 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -7.042 -10.055 -7.725 1.00 0.00 N flip ATOM 1085 CD2 HIS A 70 -7.549 -10.011 -9.844 1.00 0.00 C flip ATOM 1086 CE1 HIS A 70 -5.948 -10.409 -8.475 1.00 0.00 C flip ATOM 1087 NE2 HIS A 70 -6.283 -10.373 -9.751 1.00 0.00 N flip ATOM 0 H HIS A 70 -11.855 -8.910 -7.920 1.00 0.00 H new ATOM 0 HA HIS A 70 -10.430 -10.751 -9.629 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -9.659 -8.463 -8.952 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.545 -9.017 -7.293 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -7.082 -9.996 -6.708 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.100 -9.899 -10.766 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.976 -10.673 -8.086 1.00 0.00 H new ATOM 1096 N LEU A 71 -10.993 -11.408 -6.452 1.00 0.00 N ATOM 1097 CA LEU A 71 -11.041 -12.409 -5.368 1.00 0.00 C ATOM 1098 C LEU A 71 -10.831 -13.841 -5.851 1.00 0.00 C ATOM 1099 O LEU A 71 -11.776 -14.520 -6.261 1.00 0.00 O ATOM 1100 CB LEU A 71 -12.390 -12.327 -4.632 1.00 0.00 C ATOM 1101 CG LEU A 71 -12.360 -11.795 -3.184 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -11.749 -12.808 -2.228 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -11.604 -10.480 -3.101 1.00 0.00 C ATOM 0 H LEU A 71 -11.449 -10.533 -6.193 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.215 -12.167 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.057 -11.691 -5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.831 -13.324 -4.619 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.394 -11.624 -2.884 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.745 -12.398 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.337 -13.725 -2.245 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.726 -13.027 -2.535 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.598 -10.128 -2.069 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -10.578 -10.628 -3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.092 -9.739 -3.735 1.00 0.00 H new ATOM 1115 N PRO A 72 -9.576 -14.300 -5.836 1.00 0.00 N ATOM 1116 CA PRO A 72 -9.228 -15.687 -6.138 1.00 0.00 C ATOM 1117 C PRO A 72 -9.727 -16.608 -5.034 1.00 0.00 C ATOM 1118 O PRO A 72 -9.849 -16.195 -3.886 1.00 0.00 O ATOM 1119 CB PRO A 72 -7.692 -15.667 -6.190 1.00 0.00 C ATOM 1120 CG PRO A 72 -7.330 -14.223 -6.295 1.00 0.00 C ATOM 1121 CD PRO A 72 -8.389 -13.494 -5.542 1.00 0.00 C ATOM 0 HA PRO A 72 -9.674 -16.054 -7.062 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -7.261 -16.118 -5.297 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.318 -16.231 -7.044 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.344 -14.033 -5.870 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -7.296 -13.901 -7.336 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.177 -13.454 -4.474 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -8.499 -12.465 -5.884 1.00 0.00 H new ATOM 1129 N GLN A 73 -10.010 -17.857 -5.383 1.00 0.00 N ATOM 1130 CA GLN A 73 -10.671 -18.783 -4.463 1.00 0.00 C ATOM 1131 C GLN A 73 -9.772 -19.153 -3.277 1.00 0.00 C ATOM 1132 O GLN A 73 -10.254 -19.646 -2.253 1.00 0.00 O ATOM 1133 CB GLN A 73 -11.126 -20.040 -5.210 1.00 0.00 C ATOM 1134 CG GLN A 73 -11.982 -20.982 -4.372 1.00 0.00 C ATOM 1135 CD GLN A 73 -13.247 -20.325 -3.845 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -14.297 -20.357 -4.489 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -13.153 -19.729 -2.666 1.00 0.00 N ATOM 0 H GLN A 73 -9.793 -18.255 -6.297 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.546 -18.276 -4.057 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.691 -19.741 -6.093 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.247 -20.580 -5.561 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.253 -21.849 -4.974 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -11.393 -21.349 -3.532 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.264 -19.726 -2.166 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.969 -19.273 -2.258 1.00 0.00 H new ATOM 1146 N GLY A 74 -8.471 -18.911 -3.415 1.00 0.00 N ATOM 1147 CA GLY A 74 -7.558 -19.124 -2.304 1.00 0.00 C ATOM 1148 C GLY A 74 -7.602 -17.965 -1.329 1.00 0.00 C ATOM 1149 O GLY A 74 -7.183 -18.080 -0.176 1.00 0.00 O ATOM 0 H GLY A 74 -8.034 -18.573 -4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.819 -20.048 -1.787 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.543 -19.246 -2.682 1.00 0.00 H new ATOM 1153 N ILE A 75 -8.110 -16.846 -1.818 1.00 0.00 N ATOM 1154 CA ILE A 75 -8.318 -15.649 -1.022 1.00 0.00 C ATOM 1155 C ILE A 75 -9.707 -15.685 -0.403 1.00 0.00 C ATOM 1156 O ILE A 75 -10.675 -16.076 -1.051 1.00 0.00 O ATOM 1157 CB ILE A 75 -8.187 -14.409 -1.920 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -6.855 -14.455 -2.671 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.307 -13.136 -1.105 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -5.653 -14.108 -1.821 1.00 0.00 C ATOM 0 H ILE A 75 -8.393 -16.743 -2.792 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.570 -15.604 -0.230 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.000 -14.412 -2.646 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.718 -15.454 -3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.902 -13.765 -3.514 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.211 -12.272 -1.763 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.279 -13.110 -0.612 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.518 -13.109 -0.354 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -4.750 -14.164 -2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -5.764 -13.097 -1.429 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.578 -14.812 -0.993 1.00 0.00 H new ATOM 1172 N SER A 76 -9.802 -15.305 0.855 1.00 0.00 N ATOM 1173 CA SER A 76 -11.073 -15.313 1.554 1.00 0.00 C ATOM 1174 C SER A 76 -11.470 -13.899 1.959 1.00 0.00 C ATOM 1175 O SER A 76 -12.506 -13.679 2.592 1.00 0.00 O ATOM 1176 CB SER A 76 -10.943 -16.199 2.780 1.00 0.00 C ATOM 1177 OG SER A 76 -10.566 -17.515 2.406 1.00 0.00 O ATOM 0 H SER A 76 -9.012 -14.986 1.416 1.00 0.00 H new ATOM 0 HA SER A 76 -11.851 -15.702 0.897 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.201 -15.781 3.460 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.890 -16.225 3.319 1.00 0.00 H new ATOM 0 HG SER A 76 -10.485 -18.072 3.208 1.00 0.00 H new ATOM 1183 N SER A 77 -10.641 -12.945 1.577 1.00 0.00 N ATOM 1184 CA SER A 77 -10.817 -11.571 2.007 1.00 0.00 C ATOM 1185 C SER A 77 -10.499 -10.577 0.890 1.00 0.00 C ATOM 1186 O SER A 77 -9.470 -10.682 0.229 1.00 0.00 O ATOM 1187 CB SER A 77 -9.904 -11.322 3.201 1.00 0.00 C ATOM 1188 OG SER A 77 -9.905 -9.958 3.588 1.00 0.00 O ATOM 0 H SER A 77 -9.837 -13.098 0.968 1.00 0.00 H new ATOM 0 HA SER A 77 -11.861 -11.421 2.281 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.227 -11.938 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.888 -11.629 2.952 1.00 0.00 H new ATOM 0 HG SER A 77 -9.743 -9.891 4.552 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.409 -9.612 0.654 1.00 0.00 N ATOM 1195 CA PRO A 78 -11.158 -8.461 -0.223 1.00 0.00 C ATOM 1196 C PRO A 78 -9.781 -7.846 0.010 1.00 0.00 C ATOM 1197 O PRO A 78 -8.985 -7.712 -0.919 1.00 0.00 O ATOM 1198 CB PRO A 78 -12.256 -7.485 0.187 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.392 -8.358 0.593 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.782 -9.602 1.190 1.00 0.00 C ATOM 0 HA PRO A 78 -11.170 -8.730 -1.279 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.933 -6.845 1.008 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.534 -6.829 -0.638 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -14.030 -7.853 1.318 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.017 -8.605 -0.265 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.786 -9.566 2.279 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.332 -10.497 0.898 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.516 -7.489 1.263 1.00 0.00 N ATOM 1209 CA PHE A 79 -8.215 -6.968 1.678 1.00 0.00 C ATOM 1210 C PHE A 79 -7.091 -7.905 1.268 1.00 0.00 C ATOM 1211 O PHE A 79 -6.046 -7.472 0.778 1.00 0.00 O ATOM 1212 CB PHE A 79 -8.213 -6.762 3.201 1.00 0.00 C ATOM 1213 CG PHE A 79 -6.977 -7.236 3.926 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -5.841 -6.446 3.981 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -6.963 -8.467 4.566 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -4.714 -6.875 4.659 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -5.838 -8.899 5.242 1.00 0.00 C ATOM 1218 CZ PHE A 79 -4.712 -8.102 5.288 1.00 0.00 C ATOM 0 H PHE A 79 -10.196 -7.552 2.020 1.00 0.00 H new ATOM 0 HA PHE A 79 -8.045 -6.013 1.180 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -8.346 -5.700 3.405 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.077 -7.278 3.620 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.835 -5.484 3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -7.841 -9.095 4.535 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.835 -6.248 4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.840 -9.860 5.734 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.832 -8.439 5.815 1.00 0.00 H new ATOM 1228 N GLU A 80 -7.324 -9.189 1.449 1.00 0.00 N ATOM 1229 CA GLU A 80 -6.300 -10.184 1.226 1.00 0.00 C ATOM 1230 C GLU A 80 -6.021 -10.366 -0.268 1.00 0.00 C ATOM 1231 O GLU A 80 -4.959 -10.854 -0.657 1.00 0.00 O ATOM 1232 CB GLU A 80 -6.721 -11.502 1.881 1.00 0.00 C ATOM 1233 CG GLU A 80 -5.797 -12.671 1.604 1.00 0.00 C ATOM 1234 CD GLU A 80 -6.303 -13.961 2.210 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -7.475 -14.318 1.961 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -5.522 -14.633 2.914 1.00 0.00 O ATOM 0 H GLU A 80 -8.221 -9.568 1.752 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.370 -9.846 1.683 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.783 -11.353 2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.723 -11.759 1.537 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.688 -12.797 0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -4.806 -12.450 2.001 1.00 0.00 H new ATOM 1243 N SER A 81 -6.958 -9.948 -1.108 1.00 0.00 N ATOM 1244 CA SER A 81 -6.769 -10.042 -2.542 1.00 0.00 C ATOM 1245 C SER A 81 -5.921 -8.874 -3.011 1.00 0.00 C ATOM 1246 O SER A 81 -5.036 -9.029 -3.849 1.00 0.00 O ATOM 1247 CB SER A 81 -8.116 -10.049 -3.268 1.00 0.00 C ATOM 1248 OG SER A 81 -7.940 -10.133 -4.672 1.00 0.00 O ATOM 0 H SER A 81 -7.849 -9.544 -0.820 1.00 0.00 H new ATOM 0 HA SER A 81 -6.260 -10.977 -2.774 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.714 -10.892 -2.923 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.670 -9.143 -3.022 1.00 0.00 H new ATOM 0 HG SER A 81 -8.816 -10.137 -5.112 1.00 0.00 H new ATOM 1254 N VAL A 82 -6.193 -7.711 -2.434 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.433 -6.505 -2.722 1.00 0.00 C ATOM 1256 C VAL A 82 -3.992 -6.682 -2.280 1.00 0.00 C ATOM 1257 O VAL A 82 -3.071 -6.107 -2.867 1.00 0.00 O ATOM 1258 CB VAL A 82 -6.031 -5.296 -1.992 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.312 -4.026 -2.400 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.522 -5.205 -2.255 1.00 0.00 C ATOM 0 H VAL A 82 -6.944 -7.579 -1.756 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.474 -6.329 -3.797 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.892 -5.424 -0.918 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.747 -3.176 -1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.255 -4.108 -2.145 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.415 -3.879 -3.475 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.932 -4.342 -1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.697 -5.095 -3.325 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.010 -6.112 -1.899 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.818 -7.481 -1.233 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.501 -7.866 -0.762 1.00 0.00 C ATOM 1272 C LYS A 83 -1.682 -8.357 -1.927 1.00 0.00 C ATOM 1273 O LYS A 83 -0.569 -7.914 -2.155 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.625 -8.987 0.271 1.00 0.00 C ATOM 1275 CG LYS A 83 -2.890 -8.500 1.679 1.00 0.00 C ATOM 1276 CD LYS A 83 -1.629 -8.564 2.520 1.00 0.00 C ATOM 1277 CE LYS A 83 -1.238 -9.994 2.841 1.00 0.00 C ATOM 1278 NZ LYS A 83 0.119 -10.072 3.442 1.00 0.00 N ATOM 0 H LYS A 83 -4.586 -7.877 -0.691 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.017 -7.004 -0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.432 -9.656 -0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.706 -9.574 0.267 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.261 -7.475 1.650 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.669 -9.108 2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.813 -8.074 1.989 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.782 -8.012 3.447 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.966 -10.424 3.529 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -1.267 -10.592 1.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.317 -11.053 3.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.826 -9.763 2.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.165 -9.454 4.277 1.00 0.00 H new ATOM 1292 N ARG A 84 -2.293 -9.220 -2.703 1.00 0.00 N ATOM 1293 CA ARG A 84 -1.604 -9.906 -3.778 1.00 0.00 C ATOM 1294 C ARG A 84 -1.217 -8.939 -4.880 1.00 0.00 C ATOM 1295 O ARG A 84 -0.131 -9.036 -5.440 1.00 0.00 O ATOM 1296 CB ARG A 84 -2.495 -11.010 -4.327 1.00 0.00 C ATOM 1297 CG ARG A 84 -3.097 -11.855 -3.227 1.00 0.00 C ATOM 1298 CD ARG A 84 -2.006 -12.478 -2.362 1.00 0.00 C ATOM 1299 NE ARG A 84 -2.545 -13.396 -1.369 1.00 0.00 N ATOM 1300 CZ ARG A 84 -2.135 -13.452 -0.102 1.00 0.00 C ATOM 1301 NH1 ARG A 84 -1.177 -12.637 0.339 1.00 0.00 N ATOM 1302 NH2 ARG A 84 -2.687 -14.326 0.731 1.00 0.00 N ATOM 0 H ARG A 84 -3.278 -9.468 -2.611 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.687 -10.344 -3.384 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.294 -10.568 -4.922 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.914 -11.646 -4.995 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.752 -11.241 -2.608 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.715 -12.640 -3.663 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.299 -13.010 -2.999 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.449 -11.688 -1.859 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.283 -14.037 -1.661 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.750 -11.962 -0.295 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.871 -12.688 1.311 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.422 -14.951 0.401 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -2.376 -14.372 1.701 1.00 0.00 H new ATOM 1316 N ASP A 85 -2.105 -7.993 -5.162 1.00 0.00 N ATOM 1317 CA ASP A 85 -1.876 -7.002 -6.200 1.00 0.00 C ATOM 1318 C ASP A 85 -0.688 -6.119 -5.861 1.00 0.00 C ATOM 1319 O ASP A 85 0.044 -5.671 -6.747 1.00 0.00 O ATOM 1320 CB ASP A 85 -3.123 -6.139 -6.401 1.00 0.00 C ATOM 1321 CG ASP A 85 -4.264 -6.918 -7.025 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -4.160 -7.266 -8.223 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -5.260 -7.188 -6.325 1.00 0.00 O ATOM 0 H ASP A 85 -2.998 -7.893 -4.679 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.657 -7.534 -7.126 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.443 -5.736 -5.440 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.876 -5.289 -7.036 1.00 0.00 H new ATOM 1328 N VAL A 86 -0.510 -5.837 -4.581 1.00 0.00 N ATOM 1329 CA VAL A 86 0.604 -5.016 -4.153 1.00 0.00 C ATOM 1330 C VAL A 86 1.854 -5.863 -3.878 1.00 0.00 C ATOM 1331 O VAL A 86 2.940 -5.512 -4.327 1.00 0.00 O ATOM 1332 CB VAL A 86 0.234 -4.122 -2.942 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -0.962 -3.252 -3.288 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.050 -4.930 -1.685 1.00 0.00 C ATOM 0 H VAL A 86 -1.117 -6.162 -3.829 1.00 0.00 H new ATOM 0 HA VAL A 86 0.844 -4.344 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 86 1.098 -3.493 -2.727 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.217 -2.626 -2.432 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.717 -2.619 -4.141 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.812 -3.886 -3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.304 -4.255 -0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -0.884 -5.607 -1.868 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.834 -5.508 -1.417 1.00 0.00 H new ATOM 1344 N GLU A 87 1.689 -6.992 -3.181 1.00 0.00 N ATOM 1345 CA GLU A 87 2.803 -7.885 -2.837 1.00 0.00 C ATOM 1346 C GLU A 87 3.554 -8.381 -4.071 1.00 0.00 C ATOM 1347 O GLU A 87 4.774 -8.431 -4.058 1.00 0.00 O ATOM 1348 CB GLU A 87 2.312 -9.094 -2.028 1.00 0.00 C ATOM 1349 CG GLU A 87 1.777 -8.741 -0.649 1.00 0.00 C ATOM 1350 CD GLU A 87 1.127 -9.922 0.051 1.00 0.00 C ATOM 1351 OE1 GLU A 87 0.229 -10.557 -0.545 1.00 0.00 O ATOM 1352 OE2 GLU A 87 1.487 -10.198 1.214 1.00 0.00 O ATOM 0 H GLU A 87 0.783 -7.313 -2.840 1.00 0.00 H new ATOM 0 HA GLU A 87 3.491 -7.294 -2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.529 -9.601 -2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.134 -9.802 -1.917 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.594 -8.364 -0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.050 -7.935 -0.742 1.00 0.00 H new