USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=18 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 17 MET CE :methyl 173:sc= -0.507 (180deg=-0.733) USER MOD Set 1.2: A 62 TYR OH : rot -37:sc= -4.53! USER MOD Set 2.1: A 18 MET CE :methyl -134:sc= 0 (180deg=0) USER MOD Set 2.2: A 57 SER OG : rot 42:sc= 1.24 USER MOD Set 2.3: A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.201 K(o=-0.2,f=-1) USER MOD Single : A 11 GLN : amide:sc= -1.56 K(o=-1.6,f=-9.3!) USER MOD Single : A 15 SER OG : rot -87:sc= 1.24 USER MOD Single : A 28 GLN : amide:sc= -1.56 K(o=-1.6,f=-0.083) USER MOD Single : A 30 ASN : amide:sc= -0.023 X(o=-0.023,f=-0.33) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.724 K(o=-0.72,f=0) USER MOD Single : A 51 CYS SG : rot -99:sc= -1.28! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 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+ 147:sc= 1.05 (180deg=0.239) USER MOD Single : A 70 HIS : no HE2:sc= 0.404 K(o=0.4,f=-1.3) USER MOD Single : A 73 GLN : amide:sc= -0.597 X(o=-0.6,f=-0.23) USER MOD Single : A 76 SER OG : rot -35:sc= 0.263 USER MOD Single : A 77 SER OG : rot 150:sc= -1.73! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 162:sc= 1.25 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 7 8.126 -6.470 7.441 1.00 0.00 N ATOM 93 CA TYR A 7 6.918 -5.691 7.288 1.00 0.00 C ATOM 94 C TYR A 7 5.700 -6.560 7.533 1.00 0.00 C ATOM 95 O TYR A 7 5.733 -7.773 7.316 1.00 0.00 O ATOM 96 CB TYR A 7 6.856 -5.082 5.886 1.00 0.00 C ATOM 97 CG TYR A 7 6.394 -6.045 4.822 1.00 0.00 C ATOM 98 CD1 TYR A 7 7.247 -7.010 4.300 1.00 0.00 C ATOM 99 CD2 TYR A 7 5.091 -5.993 4.348 1.00 0.00 C ATOM 100 CE1 TYR A 7 6.809 -7.894 3.335 1.00 0.00 C ATOM 101 CE2 TYR A 7 4.648 -6.871 3.386 1.00 0.00 C ATOM 102 CZ TYR A 7 5.509 -7.821 2.881 1.00 0.00 C ATOM 103 OH TYR A 7 5.071 -8.701 1.915 1.00 0.00 O ATOM 0 HA TYR A 7 6.927 -4.884 8.021 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.184 -4.224 5.903 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.844 -4.708 5.619 1.00 0.00 H new ATOM 0 HD1 TYR A 7 8.266 -7.069 4.654 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.413 -5.250 4.741 1.00 0.00 H new ATOM 0 HE1 TYR A 7 7.481 -8.640 2.937 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.630 -6.816 3.028 1.00 0.00 H new ATOM 0 HH TYR A 7 4.131 -8.517 1.707 1.00 0.00 H new ATOM 113 N GLN A 8 4.631 -5.932 7.977 1.00 0.00 N ATOM 114 CA GLN A 8 3.393 -6.629 8.244 1.00 0.00 C ATOM 115 C GLN A 8 2.233 -5.876 7.624 1.00 0.00 C ATOM 116 O GLN A 8 2.124 -4.654 7.746 1.00 0.00 O ATOM 117 CB GLN A 8 3.158 -6.810 9.751 1.00 0.00 C ATOM 118 CG GLN A 8 3.844 -8.034 10.351 1.00 0.00 C ATOM 119 CD GLN A 8 5.344 -7.878 10.509 1.00 0.00 C ATOM 120 OE1 GLN A 8 5.851 -6.778 10.735 1.00 0.00 O ATOM 121 NE2 GLN A 8 6.067 -8.981 10.385 1.00 0.00 N ATOM 0 H GLN A 8 4.597 -4.929 8.162 1.00 0.00 H new ATOM 0 HA GLN A 8 3.464 -7.621 7.798 1.00 0.00 H new ATOM 0 HB2 GLN A 8 3.510 -5.919 10.271 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.086 -6.883 9.933 1.00 0.00 H new ATOM 0 HG2 GLN A 8 3.405 -8.243 11.326 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.642 -8.899 9.719 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.609 -9.873 10.198 1.00 0.00 H new ATOM 0 HE22 GLN A 8 7.082 -8.938 10.477 1.00 0.00 H new ATOM 130 N ILE A 9 1.405 -6.603 6.917 1.00 0.00 N ATOM 131 CA ILE A 9 0.177 -6.059 6.379 1.00 0.00 C ATOM 132 C ILE A 9 -0.974 -6.414 7.300 1.00 0.00 C ATOM 133 O ILE A 9 -1.206 -7.587 7.592 1.00 0.00 O ATOM 134 CB ILE A 9 -0.110 -6.592 4.964 1.00 0.00 C ATOM 135 CG1 ILE A 9 1.049 -6.241 4.034 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.420 -6.024 4.431 1.00 0.00 C ATOM 137 CD1 ILE A 9 0.833 -6.657 2.605 1.00 0.00 C ATOM 0 H ILE A 9 1.560 -7.587 6.697 1.00 0.00 H new ATOM 0 HA ILE A 9 0.287 -4.977 6.311 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.208 -7.677 5.009 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.215 -5.164 4.067 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.957 -6.715 4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.605 -6.413 3.430 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.238 -6.316 5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.356 -4.937 4.392 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.700 -6.373 2.008 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.698 -7.738 2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.056 -6.163 2.212 1.00 0.00 H new ATOM 149 N GLU A 10 -1.675 -5.405 7.773 1.00 0.00 N ATOM 150 CA GLU A 10 -2.778 -5.627 8.688 1.00 0.00 C ATOM 151 C GLU A 10 -4.071 -5.117 8.080 1.00 0.00 C ATOM 152 O GLU A 10 -4.062 -4.355 7.107 1.00 0.00 O ATOM 153 CB GLU A 10 -2.529 -4.940 10.038 1.00 0.00 C ATOM 154 CG GLU A 10 -3.066 -3.519 10.130 1.00 0.00 C ATOM 155 CD GLU A 10 -3.201 -3.047 11.561 1.00 0.00 C ATOM 156 OE1 GLU A 10 -3.841 -3.754 12.364 1.00 0.00 O ATOM 157 OE2 GLU A 10 -2.650 -1.977 11.899 1.00 0.00 O ATOM 0 H GLU A 10 -1.503 -4.427 7.541 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.859 -6.700 8.862 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.985 -5.539 10.826 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.456 -4.923 10.231 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.401 -2.846 9.589 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.038 -3.468 9.640 1.00 0.00 H new ATOM 164 N GLN A 11 -5.176 -5.543 8.658 1.00 0.00 N ATOM 165 CA GLN A 11 -6.474 -5.099 8.216 1.00 0.00 C ATOM 166 C GLN A 11 -6.834 -3.783 8.874 1.00 0.00 C ATOM 167 O GLN A 11 -6.766 -3.630 10.092 1.00 0.00 O ATOM 168 CB GLN A 11 -7.522 -6.176 8.492 1.00 0.00 C ATOM 169 CG GLN A 11 -8.954 -5.736 8.218 1.00 0.00 C ATOM 170 CD GLN A 11 -9.118 -5.116 6.845 1.00 0.00 C ATOM 171 OE1 GLN A 11 -9.943 -4.230 6.645 1.00 0.00 O ATOM 172 NE2 GLN A 11 -8.335 -5.573 5.889 1.00 0.00 N ATOM 0 H GLN A 11 -5.196 -6.199 9.438 1.00 0.00 H new ATOM 0 HA GLN A 11 -6.447 -4.931 7.139 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.299 -7.050 7.880 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.442 -6.487 9.534 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -9.618 -6.596 8.306 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.261 -5.017 8.977 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -7.660 -6.311 6.091 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.404 -5.189 4.946 1.00 0.00 H new ATOM 181 N LEU A 12 -7.208 -2.841 8.032 1.00 0.00 N ATOM 182 CA LEU A 12 -7.451 -1.476 8.443 1.00 0.00 C ATOM 183 C LEU A 12 -8.789 -1.359 9.168 1.00 0.00 C ATOM 184 O LEU A 12 -8.915 -0.641 10.158 1.00 0.00 O ATOM 185 CB LEU A 12 -7.439 -0.609 7.199 1.00 0.00 C ATOM 186 CG LEU A 12 -7.132 0.870 7.391 1.00 0.00 C ATOM 187 CD1 LEU A 12 -6.560 1.160 8.777 1.00 0.00 C ATOM 188 CD2 LEU A 12 -6.141 1.288 6.328 1.00 0.00 C ATOM 0 H LEU A 12 -7.353 -3.004 7.036 1.00 0.00 H new ATOM 0 HA LEU A 12 -6.677 -1.150 9.138 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.705 -1.020 6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.413 -0.693 6.718 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.060 1.436 7.303 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.356 2.227 8.870 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.281 0.861 9.538 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.635 0.600 8.913 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.906 2.346 6.446 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.229 0.700 6.429 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.573 1.120 5.342 1.00 0.00 H new ATOM 200 N GLY A 13 -9.782 -2.077 8.666 1.00 0.00 N ATOM 201 CA GLY A 13 -11.095 -2.067 9.272 1.00 0.00 C ATOM 202 C GLY A 13 -11.928 -3.229 8.787 1.00 0.00 C ATOM 203 O GLY A 13 -12.065 -4.235 9.482 1.00 0.00 O ATOM 0 H GLY A 13 -9.699 -2.672 7.841 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.998 -2.113 10.357 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.600 -1.130 9.036 1.00 0.00 H new ATOM 207 N ASP A 14 -12.460 -3.100 7.582 1.00 0.00 N ATOM 208 CA ASP A 14 -13.241 -4.169 6.970 1.00 0.00 C ATOM 209 C ASP A 14 -12.903 -4.340 5.491 1.00 0.00 C ATOM 210 O ASP A 14 -13.018 -5.440 4.947 1.00 0.00 O ATOM 211 CB ASP A 14 -14.736 -3.905 7.120 1.00 0.00 C ATOM 212 CG ASP A 14 -15.200 -2.663 6.388 1.00 0.00 C ATOM 213 OD1 ASP A 14 -15.074 -1.555 6.950 1.00 0.00 O ATOM 214 OD2 ASP A 14 -15.696 -2.788 5.252 1.00 0.00 O ATOM 0 H ASP A 14 -12.366 -2.264 7.005 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.982 -5.090 7.493 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -15.290 -4.767 6.747 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -14.976 -3.806 8.179 1.00 0.00 H new ATOM 219 N SER A 15 -12.488 -3.263 4.838 1.00 0.00 N ATOM 220 CA SER A 15 -12.214 -3.318 3.407 1.00 0.00 C ATOM 221 C SER A 15 -11.098 -2.357 3.013 1.00 0.00 C ATOM 222 O SER A 15 -11.117 -1.756 1.939 1.00 0.00 O ATOM 223 CB SER A 15 -13.486 -3.023 2.619 1.00 0.00 C ATOM 224 OG SER A 15 -14.196 -1.928 3.174 1.00 0.00 O ATOM 0 H SER A 15 -12.335 -2.351 5.269 1.00 0.00 H new ATOM 0 HA SER A 15 -11.875 -4.325 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.231 -2.805 1.582 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.124 -3.906 2.612 1.00 0.00 H new ATOM 0 HG SER A 15 -14.801 -2.251 3.874 1.00 0.00 H new ATOM 230 N ALA A 16 -10.124 -2.231 3.891 1.00 0.00 N ATOM 231 CA ALA A 16 -8.947 -1.415 3.632 1.00 0.00 C ATOM 232 C ALA A 16 -7.727 -2.081 4.251 1.00 0.00 C ATOM 233 O ALA A 16 -7.859 -2.873 5.181 1.00 0.00 O ATOM 234 CB ALA A 16 -9.142 -0.008 4.178 1.00 0.00 C ATOM 0 H ALA A 16 -10.122 -2.688 4.803 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.793 -1.331 2.556 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.252 0.588 3.975 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.004 0.453 3.697 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.309 -0.055 5.254 1.00 0.00 H new ATOM 240 N MET A 17 -6.546 -1.777 3.750 1.00 0.00 N ATOM 241 CA MET A 17 -5.346 -2.456 4.238 1.00 0.00 C ATOM 242 C MET A 17 -4.301 -1.460 4.719 1.00 0.00 C ATOM 243 O MET A 17 -4.202 -0.358 4.197 1.00 0.00 O ATOM 244 CB MET A 17 -4.767 -3.374 3.147 1.00 0.00 C ATOM 245 CG MET A 17 -3.399 -2.953 2.626 1.00 0.00 C ATOM 246 SD MET A 17 -2.576 -4.248 1.677 1.00 0.00 S ATOM 247 CE MET A 17 -3.780 -4.556 0.392 1.00 0.00 C ATOM 0 H MET A 17 -6.385 -1.081 3.022 1.00 0.00 H new ATOM 0 HA MET A 17 -5.631 -3.070 5.092 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.695 -4.387 3.543 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.465 -3.408 2.311 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.512 -2.068 2.000 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.767 -2.670 3.468 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.360 -5.243 -0.343 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.676 -4.996 0.830 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.039 -3.617 -0.096 1.00 0.00 H new ATOM 257 N MET A 18 -3.532 -1.834 5.728 1.00 0.00 N ATOM 258 CA MET A 18 -2.459 -0.964 6.193 1.00 0.00 C ATOM 259 C MET A 18 -1.176 -1.766 6.452 1.00 0.00 C ATOM 260 O MET A 18 -1.170 -2.712 7.238 1.00 0.00 O ATOM 261 CB MET A 18 -2.887 -0.219 7.450 1.00 0.00 C ATOM 262 CG MET A 18 -2.020 0.976 7.800 1.00 0.00 C ATOM 263 SD MET A 18 -2.516 1.729 9.362 1.00 0.00 S ATOM 264 CE MET A 18 -1.437 3.153 9.408 1.00 0.00 C ATOM 0 H MET A 18 -3.625 -2.715 6.234 1.00 0.00 H new ATOM 0 HA MET A 18 -2.249 -0.234 5.411 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.916 0.119 7.324 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.881 -0.915 8.289 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.978 0.663 7.862 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.083 1.717 7.003 1.00 0.00 H new ATOM 0 HE1 MET A 18 -0.989 3.238 10.398 1.00 0.00 H new ATOM 0 HE2 MET A 18 -0.650 3.038 8.662 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.013 4.053 9.192 1.00 0.00 H new ATOM 274 N ILE A 19 -0.098 -1.370 5.794 1.00 0.00 N ATOM 275 CA ILE A 19 1.175 -2.085 5.848 1.00 0.00 C ATOM 276 C ILE A 19 2.207 -1.266 6.606 1.00 0.00 C ATOM 277 O ILE A 19 2.174 -0.048 6.565 1.00 0.00 O ATOM 278 CB ILE A 19 1.719 -2.343 4.426 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.649 -2.970 3.549 1.00 0.00 C ATOM 280 CG2 ILE A 19 2.934 -3.253 4.466 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.801 -2.620 2.088 1.00 0.00 C ATOM 0 H ILE A 19 -0.078 -0.539 5.203 1.00 0.00 H new ATOM 0 HA ILE A 19 0.999 -3.034 6.354 1.00 0.00 H new ATOM 0 HB ILE A 19 2.011 -1.381 4.005 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.684 -4.054 3.662 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.332 -2.644 3.894 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.298 -3.419 3.452 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.719 -2.786 5.061 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.659 -4.208 4.914 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.007 -3.098 1.515 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.737 -1.539 1.964 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.769 -2.970 1.729 1.00 0.00 H new ATOM 293 N ARG A 20 3.096 -1.925 7.321 1.00 0.00 N ATOM 294 CA ARG A 20 4.213 -1.232 7.961 1.00 0.00 C ATOM 295 C ARG A 20 5.490 -2.053 7.837 1.00 0.00 C ATOM 296 O ARG A 20 5.469 -3.263 8.045 1.00 0.00 O ATOM 297 CB ARG A 20 3.921 -0.917 9.439 1.00 0.00 C ATOM 298 CG ARG A 20 3.968 -2.113 10.387 1.00 0.00 C ATOM 299 CD ARG A 20 2.809 -3.072 10.172 1.00 0.00 C ATOM 300 NE ARG A 20 1.558 -2.373 9.922 1.00 0.00 N ATOM 301 CZ ARG A 20 0.562 -2.273 10.796 1.00 0.00 C ATOM 302 NH1 ARG A 20 0.637 -2.880 11.975 1.00 0.00 N ATOM 303 NH2 ARG A 20 -0.518 -1.578 10.480 1.00 0.00 N ATOM 0 H ARG A 20 3.074 -2.933 7.477 1.00 0.00 H new ATOM 0 HA ARG A 20 4.348 -0.283 7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.640 -0.174 9.783 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.934 -0.460 9.507 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.908 -2.647 10.247 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.954 -1.757 11.417 1.00 0.00 H new ATOM 0 HD2 ARG A 20 3.032 -3.726 9.329 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.699 -3.709 11.050 1.00 0.00 H new ATOM 0 HE ARG A 20 1.437 -1.928 9.012 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.463 -3.428 12.215 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -0.132 -2.798 12.640 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -0.583 -1.122 9.570 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.286 -1.498 11.147 1.00 0.00 H new ATOM 317 N PHE A 21 6.586 -1.398 7.471 1.00 0.00 N ATOM 318 CA PHE A 21 7.877 -2.062 7.356 1.00 0.00 C ATOM 319 C PHE A 21 8.758 -1.640 8.520 1.00 0.00 C ATOM 320 O PHE A 21 8.266 -1.212 9.563 1.00 0.00 O ATOM 321 CB PHE A 21 8.596 -1.693 6.050 1.00 0.00 C ATOM 322 CG PHE A 21 7.789 -1.836 4.783 1.00 0.00 C ATOM 323 CD1 PHE A 21 6.723 -0.992 4.515 1.00 0.00 C ATOM 324 CD2 PHE A 21 8.124 -2.798 3.842 1.00 0.00 C ATOM 325 CE1 PHE A 21 6.008 -1.106 3.342 1.00 0.00 C ATOM 326 CE2 PHE A 21 7.407 -2.920 2.667 1.00 0.00 C ATOM 327 CZ PHE A 21 6.346 -2.073 2.417 1.00 0.00 C ATOM 0 H PHE A 21 6.605 -0.403 7.248 1.00 0.00 H new ATOM 0 HA PHE A 21 7.699 -3.137 7.362 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.935 -0.660 6.126 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.487 -2.315 5.961 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.449 -0.235 5.235 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.956 -3.460 4.030 1.00 0.00 H new ATOM 0 HE1 PHE A 21 5.182 -0.438 3.147 1.00 0.00 H new ATOM 0 HE2 PHE A 21 7.676 -3.677 1.945 1.00 0.00 H new ATOM 0 HZ PHE A 21 5.782 -2.167 1.501 1.00 0.00 H new ATOM 422 N GLN A 28 15.641 2.583 2.940 1.00 0.00 N ATOM 423 CA GLN A 28 14.857 2.145 1.794 1.00 0.00 C ATOM 424 C GLN A 28 13.366 2.289 2.096 1.00 0.00 C ATOM 425 O GLN A 28 12.608 2.817 1.291 1.00 0.00 O ATOM 426 CB GLN A 28 15.190 0.689 1.467 1.00 0.00 C ATOM 427 CG GLN A 28 15.212 0.382 -0.022 1.00 0.00 C ATOM 428 CD GLN A 28 13.854 0.489 -0.688 1.00 0.00 C ATOM 429 OE1 GLN A 28 13.079 -0.462 -0.695 1.00 0.00 O ATOM 430 NE2 GLN A 28 13.575 1.638 -1.279 1.00 0.00 N ATOM 0 HA GLN A 28 15.102 2.767 0.933 1.00 0.00 H new ATOM 0 HB2 GLN A 28 16.163 0.445 1.893 1.00 0.00 H new ATOM 0 HB3 GLN A 28 14.459 0.042 1.951 1.00 0.00 H new ATOM 0 HG2 GLN A 28 15.903 1.066 -0.515 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.601 -0.625 -0.170 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.248 2.404 -1.249 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.686 1.759 -1.765 1.00 0.00 H new ATOM 439 N VAL A 29 12.968 1.854 3.287 1.00 0.00 N ATOM 440 CA VAL A 29 11.564 1.861 3.674 1.00 0.00 C ATOM 441 C VAL A 29 11.017 3.275 3.785 1.00 0.00 C ATOM 442 O VAL A 29 10.064 3.614 3.095 1.00 0.00 O ATOM 443 CB VAL A 29 11.326 1.117 5.005 1.00 0.00 C ATOM 444 CG1 VAL A 29 9.907 1.339 5.506 1.00 0.00 C ATOM 445 CG2 VAL A 29 11.605 -0.366 4.835 1.00 0.00 C ATOM 0 H VAL A 29 13.600 1.492 4.001 1.00 0.00 H new ATOM 0 HA VAL A 29 11.031 1.336 2.881 1.00 0.00 H new ATOM 0 HB VAL A 29 12.013 1.519 5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 29 9.765 0.804 6.445 1.00 0.00 H new ATOM 0 HG12 VAL A 29 9.740 2.404 5.666 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.198 0.968 4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 29 11.433 -0.879 5.781 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.941 -0.776 4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.641 -0.508 4.528 1.00 0.00 H new ATOM 455 N ASN A 30 11.627 4.100 4.636 1.00 0.00 N ATOM 456 CA ASN A 30 11.114 5.449 4.895 1.00 0.00 C ATOM 457 C ASN A 30 11.017 6.269 3.605 1.00 0.00 C ATOM 458 O ASN A 30 10.234 7.218 3.522 1.00 0.00 O ATOM 459 CB ASN A 30 11.968 6.188 5.941 1.00 0.00 C ATOM 460 CG ASN A 30 13.134 6.959 5.349 1.00 0.00 C ATOM 461 OD1 ASN A 30 12.983 8.096 4.901 1.00 0.00 O ATOM 462 ND2 ASN A 30 14.312 6.367 5.389 1.00 0.00 N ATOM 0 H ASN A 30 12.472 3.862 5.156 1.00 0.00 H new ATOM 0 HA ASN A 30 10.109 5.335 5.301 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.331 6.879 6.493 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.351 5.464 6.660 1.00 0.00 H new ATOM 0 HD21 ASN A 30 15.139 6.852 5.041 1.00 0.00 H new ATOM 0 HD22 ASN A 30 14.396 5.424 5.768 1.00 0.00 H new ATOM 469 N GLY A 31 11.797 5.892 2.596 1.00 0.00 N ATOM 470 CA GLY A 31 11.738 6.577 1.326 1.00 0.00 C ATOM 471 C GLY A 31 10.738 5.940 0.382 1.00 0.00 C ATOM 472 O GLY A 31 9.998 6.636 -0.315 1.00 0.00 O ATOM 0 H GLY A 31 12.467 5.124 2.639 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.468 7.620 1.489 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.726 6.571 0.865 1.00 0.00 H new ATOM 476 N ILE A 32 10.691 4.613 0.377 1.00 0.00 N ATOM 477 CA ILE A 32 9.835 3.896 -0.552 1.00 0.00 C ATOM 478 C ILE A 32 8.390 3.855 -0.074 1.00 0.00 C ATOM 479 O ILE A 32 7.488 3.773 -0.883 1.00 0.00 O ATOM 480 CB ILE A 32 10.356 2.467 -0.846 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.418 2.236 -2.362 1.00 0.00 C ATOM 482 CG2 ILE A 32 9.510 1.391 -0.166 1.00 0.00 C ATOM 483 CD1 ILE A 32 9.078 2.340 -3.081 1.00 0.00 C ATOM 0 H ILE A 32 11.233 4.017 1.003 1.00 0.00 H new ATOM 0 HA ILE A 32 9.864 4.454 -1.488 1.00 0.00 H new ATOM 0 HB ILE A 32 11.360 2.387 -0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 32 11.105 2.961 -2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.838 1.247 -2.548 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.915 0.407 -0.402 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.529 1.542 0.913 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.482 1.456 -0.524 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.222 2.162 -4.147 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.390 1.596 -2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.662 3.336 -2.933 1.00 0.00 H new ATOM 495 N VAL A 33 8.158 3.928 1.228 1.00 0.00 N ATOM 496 CA VAL A 33 6.793 3.995 1.730 1.00 0.00 C ATOM 497 C VAL A 33 6.185 5.333 1.328 1.00 0.00 C ATOM 498 O VAL A 33 4.981 5.451 1.102 1.00 0.00 O ATOM 499 CB VAL A 33 6.718 3.809 3.261 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.482 4.896 3.987 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.276 3.763 3.721 1.00 0.00 C ATOM 0 H VAL A 33 8.883 3.942 1.946 1.00 0.00 H new ATOM 0 HA VAL A 33 6.228 3.174 1.288 1.00 0.00 H new ATOM 0 HB VAL A 33 7.188 2.857 3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.409 4.736 5.063 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.529 4.868 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.058 5.868 3.736 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.243 3.631 4.803 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.779 4.695 3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.767 2.929 3.238 1.00 0.00 H new ATOM 511 N HIS A 34 7.052 6.327 1.203 1.00 0.00 N ATOM 512 CA HIS A 34 6.653 7.651 0.770 1.00 0.00 C ATOM 513 C HIS A 34 6.346 7.627 -0.723 1.00 0.00 C ATOM 514 O HIS A 34 5.458 8.332 -1.201 1.00 0.00 O ATOM 515 CB HIS A 34 7.778 8.646 1.073 1.00 0.00 C ATOM 516 CG HIS A 34 7.342 10.079 1.115 1.00 0.00 C ATOM 517 ND1 HIS A 34 7.179 10.773 2.293 1.00 0.00 N ATOM 518 CD2 HIS A 34 7.055 10.952 0.123 1.00 0.00 C ATOM 519 CE1 HIS A 34 6.811 12.011 2.022 1.00 0.00 C ATOM 520 NE2 HIS A 34 6.730 12.148 0.712 1.00 0.00 N ATOM 0 H HIS A 34 8.049 6.235 1.399 1.00 0.00 H new ATOM 0 HA HIS A 34 5.756 7.962 1.306 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.227 8.387 2.032 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.556 8.538 0.317 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.077 10.746 -0.937 1.00 0.00 H new ATOM 0 HE1 HIS A 34 6.610 12.783 2.750 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.469 13.002 0.219 1.00 0.00 H new ATOM 529 N ALA A 35 7.096 6.802 -1.451 1.00 0.00 N ATOM 530 CA ALA A 35 6.917 6.656 -2.891 1.00 0.00 C ATOM 531 C ALA A 35 5.844 5.621 -3.222 1.00 0.00 C ATOM 532 O ALA A 35 5.268 5.639 -4.304 1.00 0.00 O ATOM 533 CB ALA A 35 8.234 6.264 -3.540 1.00 0.00 C ATOM 0 H ALA A 35 7.839 6.221 -1.062 1.00 0.00 H new ATOM 0 HA ALA A 35 6.587 7.617 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.092 6.157 -4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.979 7.036 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.577 5.317 -3.123 1.00 0.00 H new ATOM 539 N ALA A 36 5.583 4.723 -2.274 1.00 0.00 N ATOM 540 CA ALA A 36 4.670 3.603 -2.484 1.00 0.00 C ATOM 541 C ALA A 36 3.270 4.090 -2.785 1.00 0.00 C ATOM 542 O ALA A 36 2.480 3.386 -3.411 1.00 0.00 O ATOM 543 CB ALA A 36 4.654 2.678 -1.273 1.00 0.00 C ATOM 0 H ALA A 36 5.997 4.751 -1.342 1.00 0.00 H new ATOM 0 HA ALA A 36 5.032 3.042 -3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.966 1.852 -1.455 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.656 2.285 -1.102 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.328 3.235 -0.394 1.00 0.00 H new ATOM 549 N ALA A 37 2.979 5.309 -2.361 1.00 0.00 N ATOM 550 CA ALA A 37 1.698 5.917 -2.635 1.00 0.00 C ATOM 551 C ALA A 37 1.540 6.064 -4.139 1.00 0.00 C ATOM 552 O ALA A 37 0.508 5.726 -4.716 1.00 0.00 O ATOM 553 CB ALA A 37 1.602 7.273 -1.953 1.00 0.00 C ATOM 0 H ALA A 37 3.619 5.895 -1.824 1.00 0.00 H new ATOM 0 HA ALA A 37 0.899 5.287 -2.245 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.632 7.720 -2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.713 7.147 -0.876 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.392 7.925 -2.326 1.00 0.00 H new ATOM 559 N ALA A 38 2.602 6.534 -4.773 1.00 0.00 N ATOM 560 CA ALA A 38 2.606 6.705 -6.209 1.00 0.00 C ATOM 561 C ALA A 38 2.887 5.384 -6.915 1.00 0.00 C ATOM 562 O ALA A 38 2.457 5.171 -8.049 1.00 0.00 O ATOM 563 CB ALA A 38 3.617 7.759 -6.624 1.00 0.00 C ATOM 0 H ALA A 38 3.471 6.803 -4.312 1.00 0.00 H new ATOM 0 HA ALA A 38 1.615 7.045 -6.509 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.602 7.870 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.362 8.711 -6.158 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.613 7.453 -6.304 1.00 0.00 H new ATOM 569 N TYR A 39 3.612 4.501 -6.239 1.00 0.00 N ATOM 570 CA TYR A 39 3.907 3.183 -6.782 1.00 0.00 C ATOM 571 C TYR A 39 2.602 2.436 -7.053 1.00 0.00 C ATOM 572 O TYR A 39 2.422 1.841 -8.115 1.00 0.00 O ATOM 573 CB TYR A 39 4.784 2.383 -5.812 1.00 0.00 C ATOM 574 CG TYR A 39 5.645 1.336 -6.491 1.00 0.00 C ATOM 575 CD1 TYR A 39 5.151 0.568 -7.535 1.00 0.00 C ATOM 576 CD2 TYR A 39 6.957 1.119 -6.087 1.00 0.00 C ATOM 577 CE1 TYR A 39 5.929 -0.382 -8.159 1.00 0.00 C ATOM 578 CE2 TYR A 39 7.746 0.166 -6.706 1.00 0.00 C ATOM 579 CZ TYR A 39 7.226 -0.582 -7.743 1.00 0.00 C ATOM 580 OH TYR A 39 8.002 -1.533 -8.367 1.00 0.00 O ATOM 0 H TYR A 39 4.006 4.675 -5.314 1.00 0.00 H new ATOM 0 HA TYR A 39 4.454 3.302 -7.717 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.428 3.072 -5.266 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.145 1.894 -5.077 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.134 0.718 -7.866 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.367 1.704 -5.277 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.523 -0.967 -8.971 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.763 0.008 -6.380 1.00 0.00 H new ATOM 0 HH TYR A 39 8.892 -1.550 -7.957 1.00 0.00 H new ATOM 590 N ILE A 40 1.682 2.501 -6.100 1.00 0.00 N ATOM 591 CA ILE A 40 0.415 1.805 -6.220 1.00 0.00 C ATOM 592 C ILE A 40 -0.528 2.531 -7.167 1.00 0.00 C ATOM 593 O ILE A 40 -1.150 1.911 -8.014 1.00 0.00 O ATOM 594 CB ILE A 40 -0.267 1.656 -4.849 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.645 0.889 -3.900 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.612 0.950 -4.984 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.308 1.111 -2.448 1.00 0.00 C ATOM 0 H ILE A 40 1.793 3.030 -5.235 1.00 0.00 H new ATOM 0 HA ILE A 40 0.633 0.816 -6.624 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.450 2.650 -4.441 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.579 -0.176 -4.123 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.678 1.188 -4.077 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.074 0.857 -4.001 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.263 1.530 -5.638 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.461 -0.042 -5.410 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.993 0.538 -1.824 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.401 2.171 -2.211 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.715 0.785 -2.258 1.00 0.00 H new ATOM 609 N GLU A 41 -0.612 3.848 -7.040 1.00 0.00 N ATOM 610 CA GLU A 41 -1.610 4.614 -7.777 1.00 0.00 C ATOM 611 C GLU A 41 -1.371 4.569 -9.287 1.00 0.00 C ATOM 612 O GLU A 41 -2.311 4.703 -10.077 1.00 0.00 O ATOM 613 CB GLU A 41 -1.648 6.062 -7.288 1.00 0.00 C ATOM 614 CG GLU A 41 -0.458 6.904 -7.711 1.00 0.00 C ATOM 615 CD GLU A 41 -0.649 8.366 -7.373 1.00 0.00 C ATOM 616 OE1 GLU A 41 -1.313 9.077 -8.156 1.00 0.00 O ATOM 617 OE2 GLU A 41 -0.153 8.810 -6.318 1.00 0.00 O ATOM 0 H GLU A 41 -0.006 4.406 -6.438 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.577 4.149 -7.585 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.559 6.533 -7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.708 6.063 -6.200 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.441 6.533 -7.220 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.302 6.798 -8.785 1.00 0.00 H new ATOM 624 N GLU A 42 -0.120 4.386 -9.688 1.00 0.00 N ATOM 625 CA GLU A 42 0.213 4.305 -11.102 1.00 0.00 C ATOM 626 C GLU A 42 0.209 2.864 -11.593 1.00 0.00 C ATOM 627 O GLU A 42 0.117 2.613 -12.794 1.00 0.00 O ATOM 628 CB GLU A 42 1.568 4.952 -11.380 1.00 0.00 C ATOM 629 CG GLU A 42 1.560 6.459 -11.204 1.00 0.00 C ATOM 630 CD GLU A 42 2.837 7.106 -11.688 1.00 0.00 C ATOM 631 OE1 GLU A 42 3.218 6.871 -12.857 1.00 0.00 O ATOM 632 OE2 GLU A 42 3.454 7.865 -10.917 1.00 0.00 O ATOM 0 H GLU A 42 0.676 4.291 -9.057 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.555 4.852 -11.649 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.313 4.519 -10.713 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.875 4.714 -12.398 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.715 6.880 -11.748 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.412 6.698 -10.151 1.00 0.00 H new ATOM 639 N GLN A 43 0.300 1.916 -10.666 1.00 0.00 N ATOM 640 CA GLN A 43 0.286 0.499 -11.019 1.00 0.00 C ATOM 641 C GLN A 43 -0.719 -0.258 -10.139 1.00 0.00 C ATOM 642 O GLN A 43 -0.355 -1.202 -9.437 1.00 0.00 O ATOM 643 CB GLN A 43 1.696 -0.085 -10.855 1.00 0.00 C ATOM 644 CG GLN A 43 2.756 0.665 -11.657 1.00 0.00 C ATOM 645 CD GLN A 43 4.178 0.204 -11.385 1.00 0.00 C ATOM 646 OE1 GLN A 43 5.123 0.987 -11.481 1.00 0.00 O ATOM 647 NE2 GLN A 43 4.350 -1.064 -11.053 1.00 0.00 N ATOM 0 H GLN A 43 0.384 2.102 -9.667 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.023 0.390 -12.059 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.969 -0.068 -9.800 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.687 -1.130 -11.165 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.544 0.547 -12.720 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.681 1.729 -11.433 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.545 -1.686 -10.982 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.288 -1.420 -10.868 1.00 0.00 H new ATOM 656 N PRO A 44 -2.006 0.144 -10.174 1.00 0.00 N ATOM 657 CA PRO A 44 -3.036 -0.350 -9.276 1.00 0.00 C ATOM 658 C PRO A 44 -3.993 -1.340 -9.926 1.00 0.00 C ATOM 659 O PRO A 44 -3.752 -1.853 -11.021 1.00 0.00 O ATOM 660 CB PRO A 44 -3.787 0.942 -8.982 1.00 0.00 C ATOM 661 CG PRO A 44 -3.742 1.705 -10.275 1.00 0.00 C ATOM 662 CD PRO A 44 -2.586 1.145 -11.080 1.00 0.00 C ATOM 0 HA PRO A 44 -2.623 -0.889 -8.423 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.813 0.743 -8.674 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.314 1.501 -8.174 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.680 1.596 -10.820 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.603 2.770 -10.090 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.925 0.696 -12.014 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.864 1.919 -11.342 1.00 0.00 H new ATOM 670 N PHE A 45 -5.078 -1.595 -9.220 1.00 0.00 N ATOM 671 CA PHE A 45 -6.216 -2.309 -9.759 1.00 0.00 C ATOM 672 C PHE A 45 -7.365 -1.310 -9.862 1.00 0.00 C ATOM 673 O PHE A 45 -7.434 -0.375 -9.066 1.00 0.00 O ATOM 674 CB PHE A 45 -6.596 -3.498 -8.861 1.00 0.00 C ATOM 675 CG PHE A 45 -7.303 -3.117 -7.592 1.00 0.00 C ATOM 676 CD1 PHE A 45 -6.621 -2.512 -6.550 1.00 0.00 C ATOM 677 CD2 PHE A 45 -8.656 -3.370 -7.447 1.00 0.00 C ATOM 678 CE1 PHE A 45 -7.278 -2.165 -5.387 1.00 0.00 C ATOM 679 CE2 PHE A 45 -9.316 -3.026 -6.288 1.00 0.00 C ATOM 680 CZ PHE A 45 -8.628 -2.424 -5.257 1.00 0.00 C ATOM 0 H PHE A 45 -5.194 -1.309 -8.248 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.980 -2.722 -10.740 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.234 -4.176 -9.428 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.691 -4.049 -8.607 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.565 -2.310 -6.648 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -9.200 -3.842 -8.251 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -6.737 -1.692 -4.580 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -10.372 -3.228 -6.187 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.145 -2.155 -4.348 1.00 0.00 H new ATOM 690 N PRO A 46 -8.240 -1.468 -10.873 1.00 0.00 N ATOM 691 CA PRO A 46 -9.308 -0.499 -11.209 1.00 0.00 C ATOM 692 C PRO A 46 -10.163 -0.036 -10.023 1.00 0.00 C ATOM 693 O PRO A 46 -10.863 0.971 -10.123 1.00 0.00 O ATOM 694 CB PRO A 46 -10.177 -1.274 -12.198 1.00 0.00 C ATOM 695 CG PRO A 46 -9.243 -2.220 -12.851 1.00 0.00 C ATOM 696 CD PRO A 46 -8.256 -2.623 -11.793 1.00 0.00 C ATOM 0 HA PRO A 46 -8.873 0.425 -11.588 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.984 -1.801 -11.689 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.640 -0.608 -12.926 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.775 -3.088 -13.239 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.739 -1.751 -13.696 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.565 -3.536 -11.284 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.269 -2.812 -12.216 1.00 0.00 H new ATOM 704 N GLY A 47 -10.106 -0.764 -8.913 1.00 0.00 N ATOM 705 CA GLY A 47 -10.896 -0.416 -7.744 1.00 0.00 C ATOM 706 C GLY A 47 -10.099 0.352 -6.703 1.00 0.00 C ATOM 707 O GLY A 47 -10.572 0.571 -5.593 1.00 0.00 O ATOM 0 H GLY A 47 -9.524 -1.594 -8.801 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.752 0.183 -8.055 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.291 -1.327 -7.294 1.00 0.00 H new ATOM 711 N PHE A 48 -8.877 0.732 -7.046 1.00 0.00 N ATOM 712 CA PHE A 48 -8.021 1.485 -6.135 1.00 0.00 C ATOM 713 C PHE A 48 -8.635 2.831 -5.763 1.00 0.00 C ATOM 714 O PHE A 48 -9.158 3.552 -6.612 1.00 0.00 O ATOM 715 CB PHE A 48 -6.640 1.682 -6.765 1.00 0.00 C ATOM 716 CG PHE A 48 -5.781 2.692 -6.057 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.197 2.393 -4.837 1.00 0.00 C ATOM 718 CD2 PHE A 48 -5.560 3.942 -6.616 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.409 3.325 -4.189 1.00 0.00 C ATOM 720 CE2 PHE A 48 -4.774 4.875 -5.972 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.199 4.566 -4.757 1.00 0.00 C ATOM 0 H PHE A 48 -8.453 0.531 -7.952 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.920 0.910 -5.215 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.119 0.725 -6.780 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.767 1.992 -7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.359 1.424 -4.389 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.009 4.188 -7.567 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.957 3.083 -3.238 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.609 5.845 -6.418 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.584 5.295 -4.250 1.00 0.00 H new ATOM 731 N ILE A 49 -8.553 3.155 -4.476 1.00 0.00 N ATOM 732 CA ILE A 49 -9.127 4.380 -3.943 1.00 0.00 C ATOM 733 C ILE A 49 -8.040 5.379 -3.547 1.00 0.00 C ATOM 734 O ILE A 49 -7.951 6.465 -4.121 1.00 0.00 O ATOM 735 CB ILE A 49 -10.019 4.069 -2.719 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.227 3.231 -3.142 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.471 5.335 -2.003 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.146 3.915 -4.130 1.00 0.00 C ATOM 0 H ILE A 49 -8.088 2.576 -3.777 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.735 4.828 -4.729 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.417 3.497 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -10.872 2.298 -3.580 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.800 2.967 -2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -11.095 5.068 -1.150 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.598 5.888 -1.655 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -11.044 5.957 -2.691 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -12.975 3.251 -4.376 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.535 4.833 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.591 4.154 -5.037 1.00 0.00 H new ATOM 750 N GLU A 50 -7.203 5.001 -2.582 1.00 0.00 N ATOM 751 CA GLU A 50 -6.214 5.922 -2.029 1.00 0.00 C ATOM 752 C GLU A 50 -5.141 5.154 -1.262 1.00 0.00 C ATOM 753 O GLU A 50 -5.369 4.034 -0.833 1.00 0.00 O ATOM 754 CB GLU A 50 -6.912 6.928 -1.101 1.00 0.00 C ATOM 755 CG GLU A 50 -5.996 8.017 -0.562 1.00 0.00 C ATOM 756 CD GLU A 50 -6.743 9.083 0.212 1.00 0.00 C ATOM 757 OE1 GLU A 50 -7.061 8.854 1.396 1.00 0.00 O ATOM 758 OE2 GLU A 50 -7.013 10.160 -0.360 1.00 0.00 O ATOM 0 H GLU A 50 -7.190 4.068 -2.169 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.733 6.460 -2.846 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.734 7.395 -1.643 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.350 6.388 -0.261 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.244 7.565 0.084 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.465 8.482 -1.392 1.00 0.00 H new ATOM 765 N CYS A 51 -3.974 5.749 -1.109 1.00 0.00 N ATOM 766 CA CYS A 51 -2.915 5.163 -0.306 1.00 0.00 C ATOM 767 C CYS A 51 -2.040 6.266 0.260 1.00 0.00 C ATOM 768 O CYS A 51 -1.435 7.037 -0.484 1.00 0.00 O ATOM 769 CB CYS A 51 -2.077 4.187 -1.128 1.00 0.00 C ATOM 770 SG CYS A 51 -1.552 4.831 -2.730 1.00 0.00 S ATOM 0 H CYS A 51 -3.733 6.645 -1.533 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.367 4.603 0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -1.193 3.910 -0.553 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.653 3.275 -1.286 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.346 4.386 -3.658 1.00 0.00 H new ATOM 776 N ILE A 52 -1.988 6.348 1.574 1.00 0.00 N ATOM 777 CA ILE A 52 -1.260 7.415 2.235 1.00 0.00 C ATOM 778 C ILE A 52 -0.089 6.881 3.051 1.00 0.00 C ATOM 779 O ILE A 52 -0.218 5.896 3.784 1.00 0.00 O ATOM 780 CB ILE A 52 -2.194 8.255 3.128 1.00 0.00 C ATOM 781 CG1 ILE A 52 -3.164 7.351 3.891 1.00 0.00 C ATOM 782 CG2 ILE A 52 -2.954 9.251 2.269 1.00 0.00 C ATOM 783 CD1 ILE A 52 -3.957 8.073 4.961 1.00 0.00 C ATOM 0 H ILE A 52 -2.441 5.689 2.207 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.857 8.057 1.452 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.596 8.799 3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.857 6.897 3.183 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.603 6.539 4.353 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.615 9.846 2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.247 9.908 1.763 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.546 8.715 1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.623 7.368 5.459 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.273 8.504 5.692 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.547 8.867 4.503 1.00 0.00 H new ATOM 795 N PRO A 53 1.077 7.528 2.916 1.00 0.00 N ATOM 796 CA PRO A 53 2.292 7.125 3.603 1.00 0.00 C ATOM 797 C PRO A 53 2.372 7.690 5.016 1.00 0.00 C ATOM 798 O PRO A 53 1.988 8.832 5.270 1.00 0.00 O ATOM 799 CB PRO A 53 3.396 7.707 2.724 1.00 0.00 C ATOM 800 CG PRO A 53 2.791 8.902 2.057 1.00 0.00 C ATOM 801 CD PRO A 53 1.292 8.723 2.082 1.00 0.00 C ATOM 0 HA PRO A 53 2.356 6.044 3.731 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.264 7.988 3.320 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.737 6.978 1.989 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.077 9.817 2.576 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.150 8.992 1.032 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.795 9.596 2.504 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.892 8.583 1.078 1.00 0.00 H new ATOM 809 N ALA A 54 2.875 6.883 5.929 1.00 0.00 N ATOM 810 CA ALA A 54 2.990 7.275 7.321 1.00 0.00 C ATOM 811 C ALA A 54 4.390 6.986 7.849 1.00 0.00 C ATOM 812 O ALA A 54 4.556 6.261 8.831 1.00 0.00 O ATOM 813 CB ALA A 54 1.941 6.559 8.161 1.00 0.00 C ATOM 0 H ALA A 54 3.214 5.942 5.729 1.00 0.00 H new ATOM 0 HA ALA A 54 2.816 8.349 7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.040 6.863 9.203 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.946 6.819 7.800 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.085 5.481 8.082 1.00 0.00 H new ATOM 819 N PHE A 55 5.393 7.514 7.141 1.00 0.00 N ATOM 820 CA PHE A 55 6.793 7.492 7.586 1.00 0.00 C ATOM 821 C PHE A 55 7.422 6.114 7.387 1.00 0.00 C ATOM 822 O PHE A 55 8.419 5.981 6.679 1.00 0.00 O ATOM 823 CB PHE A 55 6.910 7.942 9.051 1.00 0.00 C ATOM 824 CG PHE A 55 8.324 8.082 9.538 1.00 0.00 C ATOM 825 CD1 PHE A 55 9.109 9.145 9.123 1.00 0.00 C ATOM 826 CD2 PHE A 55 8.868 7.151 10.409 1.00 0.00 C ATOM 827 CE1 PHE A 55 10.410 9.279 9.569 1.00 0.00 C ATOM 828 CE2 PHE A 55 10.167 7.280 10.859 1.00 0.00 C ATOM 829 CZ PHE A 55 10.940 8.344 10.438 1.00 0.00 C ATOM 0 H PHE A 55 5.258 7.971 6.239 1.00 0.00 H new ATOM 0 HA PHE A 55 7.346 8.199 6.967 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.400 8.898 9.168 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.389 7.223 9.683 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.700 9.877 8.443 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.269 6.315 10.739 1.00 0.00 H new ATOM 0 HE1 PHE A 55 11.012 10.113 9.239 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.578 6.549 11.540 1.00 0.00 H new ATOM 0 HZ PHE A 55 11.957 8.445 10.787 1.00 0.00 H new ATOM 839 N THR A 56 6.851 5.097 8.014 1.00 0.00 N ATOM 840 CA THR A 56 7.313 3.729 7.836 1.00 0.00 C ATOM 841 C THR A 56 6.144 2.793 7.530 1.00 0.00 C ATOM 842 O THR A 56 6.327 1.596 7.295 1.00 0.00 O ATOM 843 CB THR A 56 8.067 3.230 9.085 1.00 0.00 C ATOM 844 OG1 THR A 56 7.341 3.587 10.272 1.00 0.00 O ATOM 845 CG2 THR A 56 9.470 3.815 9.149 1.00 0.00 C ATOM 0 H THR A 56 6.063 5.194 8.654 1.00 0.00 H new ATOM 0 HA THR A 56 7.999 3.724 6.989 1.00 0.00 H new ATOM 0 HB THR A 56 8.149 2.145 9.019 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.825 3.265 11.061 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.978 3.446 10.040 1.00 0.00 H new ATOM 0 HG22 THR A 56 10.029 3.517 8.262 1.00 0.00 H new ATOM 0 HG23 THR A 56 9.409 4.903 9.191 1.00 0.00 H new ATOM 853 N SER A 57 4.938 3.351 7.520 1.00 0.00 N ATOM 854 CA SER A 57 3.736 2.576 7.258 1.00 0.00 C ATOM 855 C SER A 57 2.982 3.137 6.063 1.00 0.00 C ATOM 856 O SER A 57 3.099 4.313 5.734 1.00 0.00 O ATOM 857 CB SER A 57 2.837 2.553 8.499 1.00 0.00 C ATOM 858 OG SER A 57 1.606 1.894 8.252 1.00 0.00 O ATOM 0 H SER A 57 4.769 4.342 7.692 1.00 0.00 H new ATOM 0 HA SER A 57 4.031 1.553 7.023 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.358 2.053 9.315 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.642 3.575 8.824 1.00 0.00 H new ATOM 0 HG SER A 57 1.767 1.090 7.715 1.00 0.00 H new ATOM 864 N LEU A 58 2.208 2.282 5.432 1.00 0.00 N ATOM 865 CA LEU A 58 1.452 2.635 4.243 1.00 0.00 C ATOM 866 C LEU A 58 -0.012 2.265 4.440 1.00 0.00 C ATOM 867 O LEU A 58 -0.356 1.094 4.607 1.00 0.00 O ATOM 868 CB LEU A 58 2.029 1.915 3.020 1.00 0.00 C ATOM 869 CG LEU A 58 1.373 2.244 1.675 1.00 0.00 C ATOM 870 CD1 LEU A 58 1.637 3.692 1.271 1.00 0.00 C ATOM 871 CD2 LEU A 58 1.883 1.292 0.609 1.00 0.00 C ATOM 0 H LEU A 58 2.082 1.314 5.729 1.00 0.00 H new ATOM 0 HA LEU A 58 1.524 3.710 4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.091 2.152 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.952 0.840 3.186 1.00 0.00 H new ATOM 0 HG LEU A 58 0.295 2.121 1.778 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.159 3.895 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.230 4.361 2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.711 3.855 1.182 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.414 1.530 -0.346 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.964 1.394 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.638 0.267 0.889 1.00 0.00 H new ATOM 883 N THR A 59 -0.859 3.270 4.434 1.00 0.00 N ATOM 884 CA THR A 59 -2.280 3.088 4.666 1.00 0.00 C ATOM 885 C THR A 59 -2.997 2.997 3.316 1.00 0.00 C ATOM 886 O THR A 59 -3.129 3.999 2.615 1.00 0.00 O ATOM 887 CB THR A 59 -2.825 4.291 5.457 1.00 0.00 C ATOM 888 OG1 THR A 59 -1.812 4.778 6.352 1.00 0.00 O ATOM 889 CG2 THR A 59 -4.056 3.919 6.259 1.00 0.00 C ATOM 0 H THR A 59 -0.585 4.238 4.268 1.00 0.00 H new ATOM 0 HA THR A 59 -2.449 2.174 5.235 1.00 0.00 H new ATOM 0 HB THR A 59 -3.102 5.064 4.740 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.160 5.545 6.854 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.413 4.793 6.804 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.837 3.568 5.585 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.805 3.128 6.966 1.00 0.00 H new ATOM 897 N VAL A 60 -3.445 1.806 2.949 1.00 0.00 N ATOM 898 CA VAL A 60 -3.970 1.570 1.610 1.00 0.00 C ATOM 899 C VAL A 60 -5.485 1.407 1.615 1.00 0.00 C ATOM 900 O VAL A 60 -6.038 0.513 2.255 1.00 0.00 O ATOM 901 CB VAL A 60 -3.325 0.324 0.972 1.00 0.00 C ATOM 902 CG1 VAL A 60 -3.802 0.134 -0.461 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.811 0.427 1.027 1.00 0.00 C ATOM 0 H VAL A 60 -3.456 0.988 3.558 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.718 2.449 1.017 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.634 -0.551 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.331 -0.752 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.885 0.010 -0.471 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.532 1.008 -1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.369 -0.460 0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.487 1.314 0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.489 0.501 2.066 1.00 0.00 H new ATOM 913 N PHE A 61 -6.143 2.278 0.881 1.00 0.00 N ATOM 914 CA PHE A 61 -7.581 2.258 0.746 1.00 0.00 C ATOM 915 C PHE A 61 -7.957 1.861 -0.675 1.00 0.00 C ATOM 916 O PHE A 61 -7.261 2.200 -1.635 1.00 0.00 O ATOM 917 CB PHE A 61 -8.156 3.632 1.065 1.00 0.00 C ATOM 918 CG PHE A 61 -7.896 4.099 2.468 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.692 4.704 2.802 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.861 3.948 3.450 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.458 5.143 4.091 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.631 4.383 4.741 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.429 4.983 5.063 1.00 0.00 C ATOM 0 H PHE A 61 -5.689 3.026 0.357 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.993 1.531 1.446 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.737 4.359 0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.232 3.611 0.895 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.931 4.833 2.047 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.805 3.485 3.204 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.517 5.611 4.340 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.390 4.254 5.498 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.248 5.326 6.071 1.00 0.00 H new ATOM 933 N TYR A 62 -9.065 1.172 -0.810 1.00 0.00 N ATOM 934 CA TYR A 62 -9.478 0.626 -2.088 1.00 0.00 C ATOM 935 C TYR A 62 -10.924 0.203 -2.016 1.00 0.00 C ATOM 936 O TYR A 62 -11.532 0.225 -0.947 1.00 0.00 O ATOM 937 CB TYR A 62 -8.592 -0.557 -2.492 1.00 0.00 C ATOM 938 CG TYR A 62 -8.244 -1.480 -1.349 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.200 -2.307 -0.774 1.00 0.00 C ATOM 940 CD2 TYR A 62 -6.954 -1.518 -0.843 1.00 0.00 C ATOM 941 CE1 TYR A 62 -8.875 -3.141 0.269 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.626 -2.356 0.201 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.594 -3.162 0.751 1.00 0.00 C ATOM 944 OH TYR A 62 -7.280 -4.002 1.784 1.00 0.00 O ATOM 0 H TYR A 62 -9.706 0.973 -0.042 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.369 1.399 -2.849 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.100 -1.131 -3.267 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.670 -0.175 -2.931 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.212 -2.295 -1.151 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.195 -0.882 -1.273 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.629 -3.778 0.707 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.616 -2.379 0.584 1.00 0.00 H new ATOM 0 HH TYR A 62 -8.032 -4.045 2.411 1.00 0.00 H new ATOM 954 N ASP A 63 -11.475 -0.159 -3.152 1.00 0.00 N ATOM 955 CA ASP A 63 -12.864 -0.536 -3.219 1.00 0.00 C ATOM 956 C ASP A 63 -12.987 -2.040 -3.318 1.00 0.00 C ATOM 957 O ASP A 63 -12.523 -2.662 -4.278 1.00 0.00 O ATOM 958 CB ASP A 63 -13.554 0.127 -4.402 1.00 0.00 C ATOM 959 CG ASP A 63 -15.035 0.297 -4.149 1.00 0.00 C ATOM 960 OD1 ASP A 63 -15.765 -0.714 -4.156 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.477 1.445 -3.927 1.00 0.00 O ATOM 0 H ASP A 63 -10.980 -0.200 -4.043 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.355 -0.196 -2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -13.101 1.100 -4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.403 -0.475 -5.298 1.00 0.00 H new ATOM 966 N MET A 64 -13.610 -2.615 -2.313 1.00 0.00 N ATOM 967 CA MET A 64 -13.753 -4.059 -2.215 1.00 0.00 C ATOM 968 C MET A 64 -14.612 -4.631 -3.341 1.00 0.00 C ATOM 969 O MET A 64 -14.534 -5.820 -3.626 1.00 0.00 O ATOM 970 CB MET A 64 -14.309 -4.463 -0.844 1.00 0.00 C ATOM 971 CG MET A 64 -15.315 -3.484 -0.267 1.00 0.00 C ATOM 972 SD MET A 64 -16.784 -3.287 -1.291 1.00 0.00 S ATOM 973 CE MET A 64 -17.386 -1.707 -0.706 1.00 0.00 C ATOM 0 H MET A 64 -14.032 -2.100 -1.540 1.00 0.00 H new ATOM 0 HA MET A 64 -12.756 -4.487 -2.323 1.00 0.00 H new ATOM 0 HB2 MET A 64 -14.780 -5.442 -0.930 1.00 0.00 H new ATOM 0 HB3 MET A 64 -13.479 -4.568 -0.145 1.00 0.00 H new ATOM 0 HG2 MET A 64 -15.614 -3.823 0.725 1.00 0.00 H new ATOM 0 HG3 MET A 64 -14.836 -2.513 -0.140 1.00 0.00 H new ATOM 0 HE1 MET A 64 -18.296 -1.442 -1.245 1.00 0.00 H new ATOM 0 HE2 MET A 64 -17.602 -1.772 0.361 1.00 0.00 H new ATOM 0 HE3 MET A 64 -16.628 -0.943 -0.877 1.00 0.00 H new ATOM 983 N TYR A 65 -15.419 -3.796 -3.990 1.00 0.00 N ATOM 984 CA TYR A 65 -16.292 -4.269 -5.060 1.00 0.00 C ATOM 985 C TYR A 65 -15.478 -4.844 -6.222 1.00 0.00 C ATOM 986 O TYR A 65 -15.919 -5.773 -6.900 1.00 0.00 O ATOM 987 CB TYR A 65 -17.212 -3.139 -5.563 1.00 0.00 C ATOM 988 CG TYR A 65 -16.832 -2.567 -6.920 1.00 0.00 C ATOM 989 CD1 TYR A 65 -15.897 -1.544 -7.033 1.00 0.00 C ATOM 990 CD2 TYR A 65 -17.413 -3.053 -8.086 1.00 0.00 C ATOM 991 CE1 TYR A 65 -15.553 -1.025 -8.265 1.00 0.00 C ATOM 992 CE2 TYR A 65 -17.072 -2.538 -9.323 1.00 0.00 C ATOM 993 CZ TYR A 65 -16.141 -1.524 -9.406 1.00 0.00 C ATOM 994 OH TYR A 65 -15.793 -1.008 -10.636 1.00 0.00 O ATOM 0 H TYR A 65 -15.487 -2.797 -3.796 1.00 0.00 H new ATOM 0 HA TYR A 65 -16.914 -5.064 -4.649 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.233 -3.517 -5.616 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.208 -2.332 -4.830 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.432 -1.149 -6.142 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -18.143 -3.846 -8.024 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -14.825 -0.230 -8.334 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -17.532 -2.928 -10.219 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.297 -1.469 -11.339 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.269 -4.326 -6.425 1.00 0.00 N ATOM 1005 CA GLU A 66 -13.492 -4.686 -7.604 1.00 0.00 C ATOM 1006 C GLU A 66 -12.658 -5.911 -7.285 1.00 0.00 C ATOM 1007 O GLU A 66 -12.313 -6.712 -8.155 1.00 0.00 O ATOM 1008 CB GLU A 66 -12.594 -3.521 -8.025 1.00 0.00 C ATOM 1009 CG GLU A 66 -12.536 -3.288 -9.530 1.00 0.00 C ATOM 1010 CD GLU A 66 -12.046 -4.495 -10.304 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -10.830 -4.761 -10.284 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -12.880 -5.182 -10.936 1.00 0.00 O ATOM 0 H GLU A 66 -13.813 -3.665 -5.797 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.164 -4.909 -8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -12.948 -2.611 -7.541 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -11.584 -3.705 -7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -13.529 -3.014 -9.887 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.879 -2.442 -9.735 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.349 -6.060 -6.017 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.614 -7.210 -5.565 1.00 0.00 C ATOM 1021 C VAL A 67 -12.571 -8.377 -5.362 1.00 0.00 C ATOM 1022 O VAL A 67 -12.262 -9.497 -5.741 1.00 0.00 O ATOM 1023 CB VAL A 67 -10.815 -6.887 -4.290 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -10.090 -5.571 -4.480 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -11.698 -6.820 -3.063 1.00 0.00 C ATOM 0 H VAL A 67 -12.597 -5.397 -5.283 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.886 -7.496 -6.324 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.100 -7.693 -4.126 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.522 -5.336 -3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.410 -5.649 -5.329 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -10.816 -4.780 -4.668 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.089 -6.590 -2.189 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.449 -6.042 -3.197 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.193 -7.780 -2.918 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.758 -8.090 -4.810 1.00 0.00 N ATOM 1036 CA TYR A 68 -14.839 -9.071 -4.721 1.00 0.00 C ATOM 1037 C TYR A 68 -15.209 -9.561 -6.109 1.00 0.00 C ATOM 1038 O TYR A 68 -15.669 -10.689 -6.277 1.00 0.00 O ATOM 1039 CB TYR A 68 -16.084 -8.467 -4.061 1.00 0.00 C ATOM 1040 CG TYR A 68 -16.193 -8.676 -2.565 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -16.073 -9.940 -1.999 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -16.458 -7.605 -1.722 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -16.214 -10.127 -0.635 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -16.593 -7.783 -0.361 1.00 0.00 C ATOM 1045 CZ TYR A 68 -16.473 -9.044 0.180 1.00 0.00 C ATOM 1046 OH TYR A 68 -16.627 -9.222 1.539 1.00 0.00 O ATOM 0 H TYR A 68 -13.991 -7.178 -4.417 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.484 -9.902 -4.111 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -16.098 -7.396 -4.263 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.968 -8.892 -4.535 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -15.867 -10.789 -2.634 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -16.560 -6.614 -2.140 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -16.122 -11.116 -0.210 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -16.792 -6.936 0.279 1.00 0.00 H new ATOM 0 HH TYR A 68 -16.803 -8.357 1.964 1.00 0.00 H new ATOM 1056 N LYS A 69 -15.008 -8.692 -7.096 1.00 0.00 N ATOM 1057 CA LYS A 69 -15.226 -9.036 -8.492 1.00 0.00 C ATOM 1058 C LYS A 69 -14.443 -10.292 -8.838 1.00 0.00 C ATOM 1059 O LYS A 69 -14.939 -11.191 -9.516 1.00 0.00 O ATOM 1060 CB LYS A 69 -14.761 -7.892 -9.379 1.00 0.00 C ATOM 1061 CG LYS A 69 -15.073 -8.083 -10.850 1.00 0.00 C ATOM 1062 CD LYS A 69 -16.388 -7.427 -11.221 1.00 0.00 C ATOM 1063 CE LYS A 69 -16.279 -5.909 -11.174 1.00 0.00 C ATOM 1064 NZ LYS A 69 -15.240 -5.406 -12.112 1.00 0.00 N ATOM 0 H LYS A 69 -14.691 -7.734 -6.948 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.289 -9.214 -8.655 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.228 -6.968 -9.037 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -13.685 -7.769 -9.260 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -14.270 -7.660 -11.453 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.117 -9.148 -11.080 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -16.685 -7.742 -12.221 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.169 -7.759 -10.537 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -17.243 -5.466 -11.426 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -16.038 -5.592 -10.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.528 -4.479 -12.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.335 -5.311 -11.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -15.129 -6.076 -12.899 1.00 0.00 H new ATOM 1078 N HIS A 70 -13.219 -10.342 -8.335 1.00 0.00 N ATOM 1079 CA HIS A 70 -12.333 -11.464 -8.572 1.00 0.00 C ATOM 1080 C HIS A 70 -12.438 -12.454 -7.418 1.00 0.00 C ATOM 1081 O HIS A 70 -13.034 -13.520 -7.574 1.00 0.00 O ATOM 1082 CB HIS A 70 -10.889 -10.972 -8.741 1.00 0.00 C ATOM 1083 CG HIS A 70 -10.712 -10.038 -9.900 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -10.867 -8.668 -9.803 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -10.410 -10.286 -11.193 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -10.670 -8.123 -10.987 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -10.392 -9.081 -11.848 1.00 0.00 N ATOM 0 H HIS A 70 -12.816 -9.607 -7.754 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.629 -11.969 -9.492 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -10.575 -10.469 -7.827 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.233 -11.832 -8.873 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -11.097 -8.159 -8.950 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -10.218 -11.255 -11.630 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -10.727 -7.069 -11.213 1.00 0.00 H new ATOM 1096 N LEU A 71 -11.889 -12.062 -6.261 1.00 0.00 N ATOM 1097 CA LEU A 71 -11.908 -12.868 -5.034 1.00 0.00 C ATOM 1098 C LEU A 71 -11.716 -14.361 -5.330 1.00 0.00 C ATOM 1099 O LEU A 71 -12.648 -15.159 -5.180 1.00 0.00 O ATOM 1100 CB LEU A 71 -13.219 -12.622 -4.269 1.00 0.00 C ATOM 1101 CG LEU A 71 -13.080 -11.978 -2.874 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -12.431 -12.933 -1.890 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -12.283 -10.682 -2.941 1.00 0.00 C ATOM 0 H LEU A 71 -11.414 -11.166 -6.150 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.069 -12.558 -4.411 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.858 -11.984 -4.879 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.735 -13.576 -4.157 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.086 -11.749 -2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.347 -12.450 -0.916 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.041 -13.831 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.438 -13.204 -2.248 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.202 -10.252 -1.942 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.285 -10.888 -3.329 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.790 -9.977 -3.600 1.00 0.00 H new ATOM 1115 N PRO A 72 -10.505 -14.750 -5.771 1.00 0.00 N ATOM 1116 CA PRO A 72 -10.204 -16.135 -6.157 1.00 0.00 C ATOM 1117 C PRO A 72 -10.327 -17.089 -4.978 1.00 0.00 C ATOM 1118 O PRO A 72 -9.946 -16.753 -3.864 1.00 0.00 O ATOM 1119 CB PRO A 72 -8.749 -16.075 -6.649 1.00 0.00 C ATOM 1120 CG PRO A 72 -8.473 -14.629 -6.888 1.00 0.00 C ATOM 1121 CD PRO A 72 -9.326 -13.881 -5.909 1.00 0.00 C ATOM 0 HA PRO A 72 -10.898 -16.508 -6.910 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.066 -16.488 -5.907 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.618 -16.656 -7.562 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.417 -14.403 -6.739 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.717 -14.349 -7.913 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -8.816 -13.737 -4.956 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.594 -12.892 -6.280 1.00 0.00 H new ATOM 1129 N GLN A 73 -10.868 -18.272 -5.230 1.00 0.00 N ATOM 1130 CA GLN A 73 -11.071 -19.264 -4.180 1.00 0.00 C ATOM 1131 C GLN A 73 -9.745 -19.676 -3.558 1.00 0.00 C ATOM 1132 O GLN A 73 -8.930 -20.369 -4.174 1.00 0.00 O ATOM 1133 CB GLN A 73 -11.824 -20.474 -4.726 1.00 0.00 C ATOM 1134 CG GLN A 73 -13.246 -20.141 -5.142 1.00 0.00 C ATOM 1135 CD GLN A 73 -14.080 -19.610 -3.990 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -14.727 -20.375 -3.274 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -14.063 -18.300 -3.799 1.00 0.00 N ATOM 0 H GLN A 73 -11.176 -18.571 -6.155 1.00 0.00 H new ATOM 0 HA GLN A 73 -11.678 -18.814 -3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.284 -20.876 -5.583 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.846 -21.256 -3.967 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.223 -19.400 -5.941 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -13.721 -21.034 -5.548 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.513 -17.702 -4.416 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.600 -17.889 -3.035 1.00 0.00 H new ATOM 1146 N GLY A 74 -9.566 -19.242 -2.326 1.00 0.00 N ATOM 1147 CA GLY A 74 -8.293 -19.329 -1.643 1.00 0.00 C ATOM 1148 C GLY A 74 -8.045 -18.012 -0.954 1.00 0.00 C ATOM 1149 O GLY A 74 -7.435 -17.933 0.111 1.00 0.00 O ATOM 0 H GLY A 74 -10.306 -18.816 -1.768 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.304 -20.143 -0.918 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.494 -19.545 -2.352 1.00 0.00 H new ATOM 1153 N ILE A 75 -8.550 -16.977 -1.603 1.00 0.00 N ATOM 1154 CA ILE A 75 -8.664 -15.650 -1.038 1.00 0.00 C ATOM 1155 C ILE A 75 -10.071 -15.505 -0.477 1.00 0.00 C ATOM 1156 O ILE A 75 -11.040 -15.541 -1.227 1.00 0.00 O ATOM 1157 CB ILE A 75 -8.461 -14.573 -2.126 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -7.155 -14.816 -2.897 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.485 -13.180 -1.507 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -5.936 -14.142 -2.297 1.00 0.00 C ATOM 0 H ILE A 75 -8.899 -17.041 -2.559 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.905 -15.518 -0.267 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.284 -14.641 -2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -6.973 -15.889 -2.948 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.282 -14.465 -3.921 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.341 -12.433 -2.287 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.446 -13.015 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.686 -13.095 -0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.060 -14.367 -2.905 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.092 -13.064 -2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.779 -14.510 -1.283 1.00 0.00 H new ATOM 1172 N SER A 76 -10.200 -15.384 0.826 1.00 0.00 N ATOM 1173 CA SER A 76 -11.510 -15.251 1.423 1.00 0.00 C ATOM 1174 C SER A 76 -11.732 -13.812 1.867 1.00 0.00 C ATOM 1175 O SER A 76 -12.819 -13.436 2.312 1.00 0.00 O ATOM 1176 CB SER A 76 -11.640 -16.217 2.600 1.00 0.00 C ATOM 1177 OG SER A 76 -12.956 -16.217 3.132 1.00 0.00 O ATOM 0 H SER A 76 -9.423 -15.375 1.486 1.00 0.00 H new ATOM 0 HA SER A 76 -12.275 -15.502 0.688 1.00 0.00 H new ATOM 0 HB2 SER A 76 -11.378 -17.224 2.276 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.931 -15.939 3.380 1.00 0.00 H new ATOM 0 HG SER A 76 -13.332 -15.314 3.074 1.00 0.00 H new ATOM 1183 N SER A 77 -10.697 -13.005 1.715 1.00 0.00 N ATOM 1184 CA SER A 77 -10.738 -11.631 2.161 1.00 0.00 C ATOM 1185 C SER A 77 -10.357 -10.681 1.036 1.00 0.00 C ATOM 1186 O SER A 77 -9.298 -10.813 0.421 1.00 0.00 O ATOM 1187 CB SER A 77 -9.784 -11.454 3.329 1.00 0.00 C ATOM 1188 OG SER A 77 -9.935 -10.173 3.914 1.00 0.00 O ATOM 0 H SER A 77 -9.816 -13.283 1.284 1.00 0.00 H new ATOM 0 HA SER A 77 -11.755 -11.396 2.474 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.971 -12.224 4.077 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.757 -11.584 2.988 1.00 0.00 H new ATOM 0 HG SER A 77 -9.721 -10.222 4.869 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.238 -9.703 0.760 1.00 0.00 N ATOM 1195 CA PRO A 78 -11.003 -8.656 -0.240 1.00 0.00 C ATOM 1196 C PRO A 78 -9.657 -7.963 -0.069 1.00 0.00 C ATOM 1197 O PRO A 78 -8.962 -7.705 -1.044 1.00 0.00 O ATOM 1198 CB PRO A 78 -12.143 -7.678 0.025 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.237 -8.544 0.518 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.563 -9.558 1.393 1.00 0.00 C ATOM 0 HA PRO A 78 -10.978 -9.056 -1.254 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.863 -6.926 0.763 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.432 -7.144 -0.880 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -13.975 -7.968 1.077 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -13.764 -9.023 -0.307 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.484 -9.214 2.424 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.108 -10.502 1.413 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.302 -7.658 1.174 1.00 0.00 N ATOM 1209 CA PHE A 79 -8.018 -7.033 1.476 1.00 0.00 C ATOM 1210 C PHE A 79 -6.846 -7.874 0.965 1.00 0.00 C ATOM 1211 O PHE A 79 -5.859 -7.327 0.477 1.00 0.00 O ATOM 1212 CB PHE A 79 -7.894 -6.762 2.987 1.00 0.00 C ATOM 1213 CG PHE A 79 -6.906 -7.627 3.731 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -7.281 -8.859 4.239 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -5.604 -7.195 3.936 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -6.380 -9.646 4.931 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -4.700 -7.976 4.629 1.00 0.00 C ATOM 1218 CZ PHE A 79 -5.088 -9.203 5.127 1.00 0.00 C ATOM 0 H PHE A 79 -9.886 -7.834 1.991 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.978 -6.078 0.952 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.613 -5.718 3.128 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.876 -6.891 3.442 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.292 -9.210 4.092 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.293 -6.236 3.549 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -6.687 -10.607 5.318 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.690 -7.626 4.781 1.00 0.00 H new ATOM 0 HZ PHE A 79 -4.382 -9.815 5.669 1.00 0.00 H new ATOM 1228 N GLU A 80 -6.957 -9.199 1.046 1.00 0.00 N ATOM 1229 CA GLU A 80 -5.868 -10.056 0.604 1.00 0.00 C ATOM 1230 C GLU A 80 -5.887 -10.212 -0.913 1.00 0.00 C ATOM 1231 O GLU A 80 -4.875 -10.550 -1.525 1.00 0.00 O ATOM 1232 CB GLU A 80 -5.895 -11.426 1.294 1.00 0.00 C ATOM 1233 CG GLU A 80 -4.765 -12.335 0.834 1.00 0.00 C ATOM 1234 CD GLU A 80 -4.497 -13.488 1.771 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -5.272 -14.465 1.757 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -3.497 -13.428 2.519 1.00 0.00 O ATOM 0 H GLU A 80 -7.774 -9.691 1.407 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.936 -9.570 0.893 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.828 -11.287 2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.851 -11.911 1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.006 -12.729 -0.153 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.855 -11.744 0.728 1.00 0.00 H new ATOM 1243 N SER A 81 -7.030 -9.935 -1.526 1.00 0.00 N ATOM 1244 CA SER A 81 -7.113 -9.933 -2.974 1.00 0.00 C ATOM 1245 C SER A 81 -6.290 -8.762 -3.497 1.00 0.00 C ATOM 1246 O SER A 81 -5.693 -8.825 -4.568 1.00 0.00 O ATOM 1247 CB SER A 81 -8.573 -9.814 -3.429 1.00 0.00 C ATOM 1248 OG SER A 81 -8.700 -9.951 -4.836 1.00 0.00 O ATOM 0 H SER A 81 -7.902 -9.711 -1.046 1.00 0.00 H new ATOM 0 HA SER A 81 -6.720 -10.869 -3.371 1.00 0.00 H new ATOM 0 HB2 SER A 81 -9.171 -10.579 -2.934 1.00 0.00 H new ATOM 0 HB3 SER A 81 -8.972 -8.848 -3.120 1.00 0.00 H new ATOM 0 HG SER A 81 -9.644 -9.871 -5.089 1.00 0.00 H new ATOM 1254 N VAL A 82 -6.246 -7.707 -2.691 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.492 -6.505 -3.013 1.00 0.00 C ATOM 1256 C VAL A 82 -4.036 -6.672 -2.628 1.00 0.00 C ATOM 1257 O VAL A 82 -3.157 -6.001 -3.168 1.00 0.00 O ATOM 1258 CB VAL A 82 -6.046 -5.288 -2.270 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.439 -4.017 -2.826 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.555 -5.258 -2.356 1.00 0.00 C ATOM 0 H VAL A 82 -6.733 -7.663 -1.796 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.582 -6.348 -4.088 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.774 -5.362 -1.217 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.841 -3.157 -2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.356 -4.047 -2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.683 -3.930 -3.885 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.933 -4.386 -1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.859 -5.203 -3.401 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.963 -6.163 -1.907 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.790 -7.553 -1.666 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.436 -7.880 -1.274 1.00 0.00 C ATOM 1272 C LYS A 83 -1.645 -8.273 -2.502 1.00 0.00 C ATOM 1273 O LYS A 83 -0.522 -7.854 -2.688 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.429 -9.003 -0.254 1.00 0.00 C ATOM 1275 CG LYS A 83 -2.773 -8.523 1.138 1.00 0.00 C ATOM 1276 CD LYS A 83 -2.708 -9.654 2.144 1.00 0.00 C ATOM 1277 CE LYS A 83 -1.391 -10.405 2.080 1.00 0.00 C ATOM 1278 NZ LYS A 83 -1.417 -11.629 2.925 1.00 0.00 N ATOM 0 H LYS A 83 -4.514 -8.050 -1.147 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.976 -7.007 -0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.142 -9.769 -0.557 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.445 -9.471 -0.241 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.083 -7.732 1.433 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.773 -8.090 1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.847 -9.253 3.148 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.529 -10.348 1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -1.178 -10.680 1.047 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.583 -9.752 2.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.649 -12.268 2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.289 -11.365 3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.331 -12.111 2.809 1.00 0.00 H new ATOM 1292 N ARG A 84 -2.293 -9.029 -3.365 1.00 0.00 N ATOM 1293 CA ARG A 84 -1.696 -9.462 -4.622 1.00 0.00 C ATOM 1294 C ARG A 84 -1.287 -8.268 -5.470 1.00 0.00 C ATOM 1295 O ARG A 84 -0.212 -8.257 -6.068 1.00 0.00 O ATOM 1296 CB ARG A 84 -2.694 -10.325 -5.383 1.00 0.00 C ATOM 1297 CG ARG A 84 -3.221 -11.467 -4.544 1.00 0.00 C ATOM 1298 CD ARG A 84 -2.069 -12.303 -4.008 1.00 0.00 C ATOM 1299 NE ARG A 84 -2.511 -13.490 -3.293 1.00 0.00 N ATOM 1300 CZ ARG A 84 -1.893 -13.976 -2.217 1.00 0.00 C ATOM 1301 NH1 ARG A 84 -0.883 -13.313 -1.660 1.00 0.00 N ATOM 1302 NH2 ARG A 84 -2.288 -15.124 -1.688 1.00 0.00 N ATOM 0 H ARG A 84 -3.246 -9.362 -3.220 1.00 0.00 H new ATOM 0 HA ARG A 84 -0.800 -10.043 -4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.528 -9.706 -5.715 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.217 -10.724 -6.278 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -3.812 -11.076 -3.716 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.885 -12.091 -5.143 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.429 -12.603 -4.838 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -1.462 -11.690 -3.342 1.00 0.00 H new ATOM 0 HE ARG A 84 -3.340 -13.977 -3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -0.576 -12.425 -2.056 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -0.416 -13.693 -0.837 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.065 -15.637 -2.104 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.815 -15.496 -0.864 1.00 0.00 H new ATOM 1316 N ASP A 85 -2.148 -7.261 -5.497 1.00 0.00 N ATOM 1317 CA ASP A 85 -1.915 -6.057 -6.272 1.00 0.00 C ATOM 1318 C ASP A 85 -0.736 -5.271 -5.732 1.00 0.00 C ATOM 1319 O ASP A 85 0.026 -4.677 -6.492 1.00 0.00 O ATOM 1320 CB ASP A 85 -3.164 -5.174 -6.274 1.00 0.00 C ATOM 1321 CG ASP A 85 -4.288 -5.786 -7.074 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -4.153 -5.863 -8.312 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -5.300 -6.194 -6.472 1.00 0.00 O ATOM 0 H ASP A 85 -3.028 -7.258 -4.981 1.00 0.00 H new ATOM 0 HA ASP A 85 -1.686 -6.362 -7.293 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.495 -5.012 -5.248 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.916 -4.196 -6.687 1.00 0.00 H new ATOM 1328 N VAL A 86 -0.590 -5.250 -4.421 1.00 0.00 N ATOM 1329 CA VAL A 86 0.486 -4.494 -3.813 1.00 0.00 C ATOM 1330 C VAL A 86 1.772 -5.320 -3.713 1.00 0.00 C ATOM 1331 O VAL A 86 2.824 -4.854 -4.132 1.00 0.00 O ATOM 1332 CB VAL A 86 0.078 -3.909 -2.437 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -1.123 -2.993 -2.600 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.221 -4.996 -1.419 1.00 0.00 C ATOM 0 H VAL A 86 -1.195 -5.742 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 86 0.691 -3.650 -4.472 1.00 0.00 H new ATOM 0 HB VAL A 86 0.924 -3.336 -2.057 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.404 -2.585 -1.629 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.869 -2.177 -3.276 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -1.959 -3.559 -3.012 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.502 -4.539 -0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.041 -5.617 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.666 -5.614 -1.275 1.00 0.00 H new ATOM 1344 N GLU A 87 1.670 -6.555 -3.213 1.00 0.00 N ATOM 1345 CA GLU A 87 2.830 -7.432 -3.013 1.00 0.00 C ATOM 1346 C GLU A 87 3.674 -7.560 -4.276 1.00 0.00 C ATOM 1347 O GLU A 87 4.890 -7.504 -4.206 1.00 0.00 O ATOM 1348 CB GLU A 87 2.396 -8.839 -2.558 1.00 0.00 C ATOM 1349 CG GLU A 87 1.756 -8.902 -1.172 1.00 0.00 C ATOM 1350 CD GLU A 87 1.157 -10.270 -0.860 1.00 0.00 C ATOM 1351 OE1 GLU A 87 0.567 -10.891 -1.777 1.00 0.00 O ATOM 1352 OE2 GLU A 87 1.267 -10.732 0.302 1.00 0.00 O ATOM 0 H GLU A 87 0.783 -6.975 -2.936 1.00 0.00 H new ATOM 0 HA GLU A 87 3.433 -6.967 -2.233 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.690 -9.238 -3.286 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.268 -9.493 -2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 87 2.506 -8.658 -0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 87 0.976 -8.144 -1.102 1.00 0.00 H new