USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=17 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 171:sc=-0.00675 (180deg=-0.14) USER MOD Set 1.2: A 62 TYR OH : rot 119:sc= -2.82! USER MOD Set 2.1: A 18 MET CE :methyl 174:sc= -0.646 (180deg=-0.797) USER MOD Set 2.2: A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -161:sc= 0.402 USER MOD Single : A 8 GLN : amide:sc= -0.727 X(o=-0.73,f=-0.25) USER MOD Single : A 11 GLN : amide:sc= -0.631 K(o=-0.63,f=-6.5!) USER MOD Single : A 15 SER OG : rot -86:sc= 1.32 USER MOD Single : A 28 GLN : amide:sc= -0.0948 X(o=-0.095,f=-0.52) USER MOD Single : A 30 ASN : amide:sc= -5.91! K(o=-5.9!,f=-0.82) 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 X(o=0,f=0) USER MOD Single : A 51 CYS SG : rot -99:sc= -1.67! 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 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 73:sc= 1.24 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 166:sc= 1.22 (180deg=0.668) USER MOD Single : A 70 HIS : no HD1:sc= -0.679 K(o=-0.68,f=-0.0084) USER MOD Single : A 73 GLN : amide:sc= 0.0219 X(o=0.022,f=-0.29) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 142:sc= -0.564 USER MOD Single : A 81 SER OG : rot -42:sc= 0.492 USER MOD Single : A 83 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 92 N TYR A 7 9.014 -5.108 6.078 1.00 0.00 N ATOM 93 CA TYR A 7 7.650 -4.612 6.056 1.00 0.00 C ATOM 94 C TYR A 7 6.655 -5.740 6.293 1.00 0.00 C ATOM 95 O TYR A 7 6.878 -6.881 5.890 1.00 0.00 O ATOM 96 CB TYR A 7 7.360 -3.917 4.722 1.00 0.00 C ATOM 97 CG TYR A 7 7.146 -4.868 3.573 1.00 0.00 C ATOM 98 CD1 TYR A 7 8.208 -5.402 2.851 1.00 0.00 C ATOM 99 CD2 TYR A 7 5.867 -5.247 3.228 1.00 0.00 C ATOM 100 CE1 TYR A 7 7.983 -6.287 1.810 1.00 0.00 C ATOM 101 CE2 TYR A 7 5.636 -6.123 2.206 1.00 0.00 C ATOM 102 CZ TYR A 7 6.691 -6.647 1.493 1.00 0.00 C ATOM 103 OH TYR A 7 6.454 -7.538 0.467 1.00 0.00 O ATOM 0 HA TYR A 7 7.538 -3.887 6.863 1.00 0.00 H new ATOM 0 HB2 TYR A 7 6.474 -3.292 4.834 1.00 0.00 H new ATOM 0 HB3 TYR A 7 8.190 -3.253 4.481 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.220 -5.123 3.105 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.030 -4.843 3.777 1.00 0.00 H new ATOM 0 HE1 TYR A 7 8.814 -6.692 1.251 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.624 -6.405 1.957 1.00 0.00 H new ATOM 0 HH TYR A 7 5.520 -7.464 0.178 1.00 0.00 H new ATOM 113 N GLN A 8 5.561 -5.395 6.949 1.00 0.00 N ATOM 114 CA GLN A 8 4.489 -6.325 7.256 1.00 0.00 C ATOM 115 C GLN A 8 3.163 -5.740 6.795 1.00 0.00 C ATOM 116 O GLN A 8 2.864 -4.574 7.058 1.00 0.00 O ATOM 117 CB GLN A 8 4.385 -6.598 8.765 1.00 0.00 C ATOM 118 CG GLN A 8 5.362 -7.620 9.347 1.00 0.00 C ATOM 119 CD GLN A 8 6.810 -7.172 9.335 1.00 0.00 C ATOM 120 OE1 GLN A 8 7.233 -6.392 10.185 1.00 0.00 O ATOM 121 NE2 GLN A 8 7.595 -7.723 8.427 1.00 0.00 N ATOM 0 H GLN A 8 5.390 -4.448 7.288 1.00 0.00 H new ATOM 0 HA GLN A 8 4.711 -7.260 6.741 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.526 -5.654 9.292 1.00 0.00 H new ATOM 0 HB3 GLN A 8 3.371 -6.935 8.981 1.00 0.00 H new ATOM 0 HG2 GLN A 8 5.070 -7.841 10.374 1.00 0.00 H new ATOM 0 HG3 GLN A 8 5.276 -8.549 8.784 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.205 -8.366 7.738 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.591 -7.506 8.415 1.00 0.00 H new ATOM 130 N ILE A 9 2.381 -6.539 6.105 1.00 0.00 N ATOM 131 CA ILE A 9 1.017 -6.156 5.758 1.00 0.00 C ATOM 132 C ILE A 9 0.085 -6.463 6.925 1.00 0.00 C ATOM 133 O ILE A 9 -0.099 -7.625 7.293 1.00 0.00 O ATOM 134 CB ILE A 9 0.487 -6.871 4.487 1.00 0.00 C ATOM 135 CG1 ILE A 9 1.118 -6.295 3.219 1.00 0.00 C ATOM 136 CG2 ILE A 9 -1.028 -6.766 4.402 1.00 0.00 C ATOM 137 CD1 ILE A 9 2.476 -6.852 2.899 1.00 0.00 C ATOM 0 H ILE A 9 2.660 -7.461 5.769 1.00 0.00 H new ATOM 0 HA ILE A 9 1.037 -5.087 5.545 1.00 0.00 H new ATOM 0 HB ILE A 9 0.767 -7.922 4.564 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.452 -6.485 2.377 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.197 -5.213 3.325 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.378 -7.274 3.503 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -1.475 -7.232 5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.318 -5.716 4.362 1.00 0.00 H new ATOM 0 HD11 ILE A 9 2.852 -6.391 1.986 1.00 0.00 H new ATOM 0 HD12 ILE A 9 3.159 -6.639 3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.403 -7.930 2.758 1.00 0.00 H new ATOM 149 N GLU A 10 -0.484 -5.430 7.514 1.00 0.00 N ATOM 150 CA GLU A 10 -1.428 -5.601 8.597 1.00 0.00 C ATOM 151 C GLU A 10 -2.825 -5.220 8.125 1.00 0.00 C ATOM 152 O GLU A 10 -2.991 -4.384 7.230 1.00 0.00 O ATOM 153 CB GLU A 10 -1.008 -4.749 9.797 1.00 0.00 C ATOM 154 CG GLU A 10 -1.209 -3.258 9.599 1.00 0.00 C ATOM 155 CD GLU A 10 -0.686 -2.445 10.760 1.00 0.00 C ATOM 156 OE1 GLU A 10 -1.382 -2.362 11.796 1.00 0.00 O ATOM 157 OE2 GLU A 10 0.421 -1.886 10.643 1.00 0.00 O ATOM 0 H GLU A 10 -0.307 -4.459 7.258 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.439 -6.646 8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.575 -5.068 10.672 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.044 -4.938 10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.706 -2.945 8.684 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.271 -3.052 9.465 1.00 0.00 H new ATOM 164 N GLN A 11 -3.831 -5.850 8.702 1.00 0.00 N ATOM 165 CA GLN A 11 -5.202 -5.546 8.346 1.00 0.00 C ATOM 166 C GLN A 11 -5.670 -4.303 9.078 1.00 0.00 C ATOM 167 O GLN A 11 -5.556 -4.196 10.299 1.00 0.00 O ATOM 168 CB GLN A 11 -6.112 -6.741 8.633 1.00 0.00 C ATOM 169 CG GLN A 11 -7.606 -6.437 8.512 1.00 0.00 C ATOM 170 CD GLN A 11 -7.981 -5.764 7.201 1.00 0.00 C ATOM 171 OE1 GLN A 11 -8.913 -4.966 7.145 1.00 0.00 O ATOM 172 NE2 GLN A 11 -7.259 -6.074 6.142 1.00 0.00 N ATOM 0 H GLN A 11 -3.725 -6.571 9.415 1.00 0.00 H new ATOM 0 HA GLN A 11 -5.252 -5.345 7.276 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.860 -7.548 7.945 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -5.907 -7.105 9.640 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -8.167 -7.366 8.608 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.907 -5.796 9.340 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.492 -6.741 6.225 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -7.468 -5.647 5.240 1.00 0.00 H new ATOM 181 N LEU A 12 -6.192 -3.367 8.302 1.00 0.00 N ATOM 182 CA LEU A 12 -6.590 -2.069 8.812 1.00 0.00 C ATOM 183 C LEU A 12 -7.830 -2.200 9.693 1.00 0.00 C ATOM 184 O LEU A 12 -7.930 -1.561 10.739 1.00 0.00 O ATOM 185 CB LEU A 12 -6.869 -1.131 7.641 1.00 0.00 C ATOM 186 CG LEU A 12 -6.525 0.345 7.857 1.00 0.00 C ATOM 187 CD1 LEU A 12 -5.883 0.580 9.219 1.00 0.00 C ATOM 188 CD2 LEU A 12 -5.594 0.809 6.754 1.00 0.00 C ATOM 0 H LEU A 12 -6.351 -3.487 7.302 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.783 -1.659 9.419 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.311 -1.489 6.776 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.927 -1.202 7.390 1.00 0.00 H new ATOM 0 HG LEU A 12 -7.450 0.920 7.828 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.653 1.639 9.335 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.572 0.270 10.004 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.964 -0.001 9.293 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.347 1.860 6.905 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.680 0.215 6.775 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.084 0.686 5.788 1.00 0.00 H new ATOM 200 N GLY A 13 -8.766 -3.043 9.269 1.00 0.00 N ATOM 201 CA GLY A 13 -9.960 -3.272 10.054 1.00 0.00 C ATOM 202 C GLY A 13 -10.983 -4.126 9.332 1.00 0.00 C ATOM 203 O GLY A 13 -11.255 -5.260 9.738 1.00 0.00 O ATOM 0 H GLY A 13 -8.717 -3.570 8.397 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.686 -3.756 10.991 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.410 -2.313 10.311 1.00 0.00 H new ATOM 207 N ASP A 14 -11.535 -3.596 8.254 1.00 0.00 N ATOM 208 CA ASP A 14 -12.623 -4.262 7.552 1.00 0.00 C ATOM 209 C ASP A 14 -12.309 -4.449 6.075 1.00 0.00 C ATOM 210 O ASP A 14 -12.285 -5.571 5.573 1.00 0.00 O ATOM 211 CB ASP A 14 -13.913 -3.458 7.712 1.00 0.00 C ATOM 212 CG ASP A 14 -15.073 -4.035 6.924 1.00 0.00 C ATOM 213 OD1 ASP A 14 -15.792 -4.905 7.462 1.00 0.00 O ATOM 214 OD2 ASP A 14 -15.288 -3.601 5.771 1.00 0.00 O ATOM 0 H ASP A 14 -11.249 -2.707 7.844 1.00 0.00 H new ATOM 0 HA ASP A 14 -12.749 -5.251 7.993 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -14.182 -3.419 8.768 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -13.737 -2.432 7.390 1.00 0.00 H new ATOM 219 N SER A 15 -12.064 -3.349 5.379 1.00 0.00 N ATOM 220 CA SER A 15 -11.881 -3.398 3.938 1.00 0.00 C ATOM 221 C SER A 15 -10.797 -2.429 3.485 1.00 0.00 C ATOM 222 O SER A 15 -10.900 -1.793 2.437 1.00 0.00 O ATOM 223 CB SER A 15 -13.204 -3.102 3.237 1.00 0.00 C ATOM 224 OG SER A 15 -13.950 -2.122 3.944 1.00 0.00 O ATOM 0 H SER A 15 -11.988 -2.417 5.787 1.00 0.00 H new ATOM 0 HA SER A 15 -11.555 -4.402 3.665 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.011 -2.754 2.222 1.00 0.00 H new ATOM 0 HB3 SER A 15 -13.788 -4.018 3.154 1.00 0.00 H new ATOM 0 HG SER A 15 -14.482 -2.557 4.642 1.00 0.00 H new ATOM 230 N ALA A 16 -9.763 -2.324 4.292 1.00 0.00 N ATOM 231 CA ALA A 16 -8.605 -1.514 3.974 1.00 0.00 C ATOM 232 C ALA A 16 -7.363 -2.221 4.475 1.00 0.00 C ATOM 233 O ALA A 16 -7.449 -3.083 5.350 1.00 0.00 O ATOM 234 CB ALA A 16 -8.726 -0.130 4.595 1.00 0.00 C ATOM 0 H ALA A 16 -9.701 -2.800 5.192 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.539 -1.383 2.894 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.845 0.460 4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.617 0.365 4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.803 -0.223 5.678 1.00 0.00 H new ATOM 240 N MET A 17 -6.216 -1.891 3.919 1.00 0.00 N ATOM 241 CA MET A 17 -4.980 -2.547 4.339 1.00 0.00 C ATOM 242 C MET A 17 -3.914 -1.523 4.703 1.00 0.00 C ATOM 243 O MET A 17 -3.898 -0.427 4.169 1.00 0.00 O ATOM 244 CB MET A 17 -4.485 -3.506 3.240 1.00 0.00 C ATOM 245 CG MET A 17 -3.084 -3.219 2.711 1.00 0.00 C ATOM 246 SD MET A 17 -2.376 -4.616 1.813 1.00 0.00 S ATOM 247 CE MET A 17 -3.607 -4.871 0.538 1.00 0.00 C ATOM 0 H MET A 17 -6.106 -1.187 3.189 1.00 0.00 H new ATOM 0 HA MET A 17 -5.186 -3.133 5.234 1.00 0.00 H new ATOM 0 HB2 MET A 17 -4.507 -4.523 3.631 1.00 0.00 H new ATOM 0 HB3 MET A 17 -5.186 -3.470 2.406 1.00 0.00 H new ATOM 0 HG2 MET A 17 -3.120 -2.351 2.053 1.00 0.00 H new ATOM 0 HG3 MET A 17 -2.431 -2.961 3.545 1.00 0.00 H new ATOM 0 HE1 MET A 17 -3.234 -5.593 -0.189 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.524 -5.250 0.988 1.00 0.00 H new ATOM 0 HE3 MET A 17 -3.813 -3.925 0.037 1.00 0.00 H new ATOM 257 N MET A 18 -3.039 -1.865 5.633 1.00 0.00 N ATOM 258 CA MET A 18 -1.928 -0.987 5.958 1.00 0.00 C ATOM 259 C MET A 18 -0.642 -1.793 5.998 1.00 0.00 C ATOM 260 O MET A 18 -0.606 -2.893 6.536 1.00 0.00 O ATOM 261 CB MET A 18 -2.144 -0.261 7.288 1.00 0.00 C ATOM 262 CG MET A 18 -0.999 0.671 7.662 1.00 0.00 C ATOM 263 SD MET A 18 -1.156 1.370 9.319 1.00 0.00 S ATOM 264 CE MET A 18 -2.614 2.394 9.133 1.00 0.00 C ATOM 0 H MET A 18 -3.074 -2.732 6.170 1.00 0.00 H new ATOM 0 HA MET A 18 -1.860 -0.224 5.183 1.00 0.00 H new ATOM 0 HB2 MET A 18 -3.068 0.315 7.233 1.00 0.00 H new ATOM 0 HB3 MET A 18 -2.275 -0.999 8.079 1.00 0.00 H new ATOM 0 HG2 MET A 18 -0.058 0.124 7.594 1.00 0.00 H new ATOM 0 HG3 MET A 18 -0.949 1.483 6.936 1.00 0.00 H new ATOM 0 HE1 MET A 18 -2.896 2.805 10.102 1.00 0.00 H new ATOM 0 HE2 MET A 18 -2.401 3.209 8.441 1.00 0.00 H new ATOM 0 HE3 MET A 18 -3.434 1.792 8.742 1.00 0.00 H new ATOM 274 N ILE A 19 0.396 -1.258 5.400 1.00 0.00 N ATOM 275 CA ILE A 19 1.673 -1.940 5.333 1.00 0.00 C ATOM 276 C ILE A 19 2.722 -1.181 6.119 1.00 0.00 C ATOM 277 O ILE A 19 3.188 -0.130 5.688 1.00 0.00 O ATOM 278 CB ILE A 19 2.143 -2.074 3.880 1.00 0.00 C ATOM 279 CG1 ILE A 19 1.071 -2.758 3.043 1.00 0.00 C ATOM 280 CG2 ILE A 19 3.443 -2.856 3.816 1.00 0.00 C ATOM 281 CD1 ILE A 19 1.053 -2.273 1.617 1.00 0.00 C ATOM 0 H ILE A 19 0.383 -0.344 4.948 1.00 0.00 H new ATOM 0 HA ILE A 19 1.540 -2.933 5.763 1.00 0.00 H new ATOM 0 HB ILE A 19 2.319 -1.077 3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.238 -3.835 3.055 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.095 -2.582 3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.764 -2.943 2.778 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.209 -2.336 4.391 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.290 -3.851 4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.270 -2.794 1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.857 -1.201 1.600 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.018 -2.473 1.152 1.00 0.00 H new ATOM 293 N ARG A 20 3.086 -1.702 7.269 1.00 0.00 N ATOM 294 CA ARG A 20 4.113 -1.075 8.070 1.00 0.00 C ATOM 295 C ARG A 20 5.468 -1.662 7.723 1.00 0.00 C ATOM 296 O ARG A 20 5.632 -2.874 7.628 1.00 0.00 O ATOM 297 CB ARG A 20 3.800 -1.194 9.562 1.00 0.00 C ATOM 298 CG ARG A 20 3.636 -2.612 10.061 1.00 0.00 C ATOM 299 CD ARG A 20 4.958 -3.207 10.503 1.00 0.00 C ATOM 300 NE ARG A 20 4.774 -4.365 11.361 1.00 0.00 N ATOM 301 CZ ARG A 20 4.472 -4.291 12.660 1.00 0.00 C ATOM 302 NH1 ARG A 20 4.286 -3.107 13.238 1.00 0.00 N ATOM 303 NH2 ARG A 20 4.360 -5.400 13.382 1.00 0.00 N ATOM 0 H ARG A 20 2.689 -2.553 7.669 1.00 0.00 H new ATOM 0 HA ARG A 20 4.139 -0.010 7.841 1.00 0.00 H new ATOM 0 HB2 ARG A 20 4.600 -0.715 10.127 1.00 0.00 H new ATOM 0 HB3 ARG A 20 2.885 -0.641 9.773 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.934 -2.626 10.895 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.205 -3.228 9.272 1.00 0.00 H new ATOM 0 HD2 ARG A 20 5.538 -3.494 9.626 1.00 0.00 H new ATOM 0 HD3 ARG A 20 5.537 -2.451 11.034 1.00 0.00 H new ATOM 0 HE ARG A 20 4.882 -5.291 10.946 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.374 -2.252 12.689 1.00 0.00 H new ATOM 0 HH12 ARG A 20 4.055 -3.054 14.230 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.505 -6.310 12.945 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.129 -5.342 14.374 1.00 0.00 H new ATOM 317 N PHE A 21 6.417 -0.791 7.496 1.00 0.00 N ATOM 318 CA PHE A 21 7.764 -1.182 7.114 1.00 0.00 C ATOM 319 C PHE A 21 8.683 -1.165 8.329 1.00 0.00 C ATOM 320 O PHE A 21 8.218 -1.077 9.467 1.00 0.00 O ATOM 321 CB PHE A 21 8.305 -0.229 6.046 1.00 0.00 C ATOM 322 CG PHE A 21 7.721 -0.392 4.678 1.00 0.00 C ATOM 323 CD1 PHE A 21 6.422 -0.029 4.422 1.00 0.00 C ATOM 324 CD2 PHE A 21 8.498 -0.872 3.638 1.00 0.00 C ATOM 325 CE1 PHE A 21 5.898 -0.139 3.162 1.00 0.00 C ATOM 326 CE2 PHE A 21 7.977 -0.995 2.366 1.00 0.00 C ATOM 327 CZ PHE A 21 6.670 -0.625 2.127 1.00 0.00 C ATOM 0 H PHE A 21 6.284 0.218 7.569 1.00 0.00 H new ATOM 0 HA PHE A 21 7.730 -2.193 6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.130 0.795 6.376 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.385 -0.363 5.979 1.00 0.00 H new ATOM 0 HD1 PHE A 21 5.806 0.348 5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 21 9.524 -1.154 3.824 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.876 0.156 2.977 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.589 -1.379 1.563 1.00 0.00 H new ATOM 0 HZ PHE A 21 6.253 -0.715 1.135 1.00 0.00 H new ATOM 422 N GLN A 28 15.640 2.093 3.545 1.00 0.00 N ATOM 423 CA GLN A 28 14.861 1.999 2.314 1.00 0.00 C ATOM 424 C GLN A 28 13.409 2.415 2.524 1.00 0.00 C ATOM 425 O GLN A 28 12.793 3.004 1.637 1.00 0.00 O ATOM 426 CB GLN A 28 14.928 0.572 1.774 1.00 0.00 C ATOM 427 CG GLN A 28 15.167 0.498 0.272 1.00 0.00 C ATOM 428 CD GLN A 28 13.979 0.963 -0.550 1.00 0.00 C ATOM 429 OE1 GLN A 28 13.095 0.176 -0.877 1.00 0.00 O ATOM 430 NE2 GLN A 28 13.961 2.236 -0.907 1.00 0.00 N ATOM 0 HA GLN A 28 15.294 2.689 1.589 1.00 0.00 H new ATOM 0 HB2 GLN A 28 15.726 0.036 2.287 1.00 0.00 H new ATOM 0 HB3 GLN A 28 13.996 0.059 2.011 1.00 0.00 H new ATOM 0 HG2 GLN A 28 16.035 1.107 0.019 1.00 0.00 H new ATOM 0 HG3 GLN A 28 15.408 -0.530 -0.000 1.00 0.00 H new ATOM 0 HE21 GLN A 28 14.715 2.858 -0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.193 2.596 -1.474 1.00 0.00 H new ATOM 439 N VAL A 29 12.867 2.120 3.700 1.00 0.00 N ATOM 440 CA VAL A 29 11.485 2.463 4.000 1.00 0.00 C ATOM 441 C VAL A 29 11.235 3.952 3.824 1.00 0.00 C ATOM 442 O VAL A 29 10.313 4.343 3.122 1.00 0.00 O ATOM 443 CB VAL A 29 11.075 2.045 5.429 1.00 0.00 C ATOM 444 CG1 VAL A 29 12.098 2.485 6.457 1.00 0.00 C ATOM 445 CG2 VAL A 29 9.713 2.618 5.781 1.00 0.00 C ATOM 0 H VAL A 29 13.361 1.647 4.456 1.00 0.00 H new ATOM 0 HA VAL A 29 10.873 1.906 3.290 1.00 0.00 H new ATOM 0 HB VAL A 29 11.024 0.956 5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.774 2.173 7.450 1.00 0.00 H new ATOM 0 HG12 VAL A 29 13.062 2.029 6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 29 12.195 3.570 6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 29 9.440 2.313 6.791 1.00 0.00 H new ATOM 0 HG22 VAL A 29 9.751 3.706 5.728 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.969 2.246 5.077 1.00 0.00 H new ATOM 455 N ASN A 30 12.106 4.762 4.408 1.00 0.00 N ATOM 456 CA ASN A 30 11.911 6.217 4.446 1.00 0.00 C ATOM 457 C ASN A 30 11.733 6.784 3.046 1.00 0.00 C ATOM 458 O ASN A 30 11.056 7.795 2.855 1.00 0.00 O ATOM 459 CB ASN A 30 13.088 6.927 5.135 1.00 0.00 C ATOM 460 CG ASN A 30 13.069 6.813 6.651 1.00 0.00 C ATOM 461 OD1 ASN A 30 13.428 7.757 7.354 1.00 0.00 O ATOM 462 ND2 ASN A 30 12.686 5.655 7.166 1.00 0.00 N ATOM 0 H ASN A 30 12.960 4.442 4.865 1.00 0.00 H new ATOM 0 HA ASN A 30 11.005 6.398 5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 30 14.022 6.509 4.760 1.00 0.00 H new ATOM 0 HB3 ASN A 30 13.077 7.981 4.859 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.682 5.523 8.177 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.395 4.895 6.551 1.00 0.00 H new ATOM 469 N GLY A 31 12.339 6.125 2.072 1.00 0.00 N ATOM 470 CA GLY A 31 12.210 6.559 0.701 1.00 0.00 C ATOM 471 C GLY A 31 11.056 5.890 -0.019 1.00 0.00 C ATOM 472 O GLY A 31 10.324 6.541 -0.768 1.00 0.00 O ATOM 0 H GLY A 31 12.918 5.297 2.208 1.00 0.00 H new ATOM 0 HA2 GLY A 31 12.069 7.640 0.678 1.00 0.00 H new ATOM 0 HA3 GLY A 31 13.137 6.347 0.168 1.00 0.00 H new ATOM 476 N ILE A 32 10.867 4.594 0.218 1.00 0.00 N ATOM 477 CA ILE A 32 9.913 3.822 -0.568 1.00 0.00 C ATOM 478 C ILE A 32 8.494 3.870 -0.009 1.00 0.00 C ATOM 479 O ILE A 32 7.544 3.788 -0.771 1.00 0.00 O ATOM 480 CB ILE A 32 10.373 2.356 -0.766 1.00 0.00 C ATOM 481 CG1 ILE A 32 10.395 2.014 -2.264 1.00 0.00 C ATOM 482 CG2 ILE A 32 9.503 1.365 0.003 1.00 0.00 C ATOM 483 CD1 ILE A 32 9.065 2.207 -2.982 1.00 0.00 C ATOM 0 H ILE A 32 11.356 4.063 0.939 1.00 0.00 H new ATOM 0 HA ILE A 32 9.886 4.305 -1.545 1.00 0.00 H new ATOM 0 HB ILE A 32 11.381 2.268 -0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 32 11.149 2.632 -2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 32 10.708 0.977 -2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 32 9.867 0.352 -0.169 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.549 1.591 1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.472 1.443 -0.341 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.177 1.941 -4.033 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.309 1.569 -2.525 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.756 3.249 -2.902 1.00 0.00 H new ATOM 495 N VAL A 33 8.323 4.021 1.298 1.00 0.00 N ATOM 496 CA VAL A 33 6.971 4.098 1.853 1.00 0.00 C ATOM 497 C VAL A 33 6.294 5.366 1.353 1.00 0.00 C ATOM 498 O VAL A 33 5.085 5.404 1.136 1.00 0.00 O ATOM 499 CB VAL A 33 6.955 4.057 3.397 1.00 0.00 C ATOM 500 CG1 VAL A 33 7.721 5.216 3.980 1.00 0.00 C ATOM 501 CG2 VAL A 33 5.535 4.051 3.933 1.00 0.00 C ATOM 0 H VAL A 33 9.078 4.091 1.980 1.00 0.00 H new ATOM 0 HA VAL A 33 6.424 3.219 1.513 1.00 0.00 H new ATOM 0 HB VAL A 33 7.443 3.131 3.701 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.692 5.161 5.068 1.00 0.00 H new ATOM 0 HG12 VAL A 33 8.756 5.175 3.642 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.269 6.152 3.652 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.557 4.022 5.022 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.018 4.953 3.605 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.008 3.174 3.557 1.00 0.00 H new ATOM 511 N HIS A 34 7.103 6.390 1.123 1.00 0.00 N ATOM 512 CA HIS A 34 6.611 7.655 0.618 1.00 0.00 C ATOM 513 C HIS A 34 6.436 7.580 -0.896 1.00 0.00 C ATOM 514 O HIS A 34 5.558 8.228 -1.461 1.00 0.00 O ATOM 515 CB HIS A 34 7.571 8.785 1.003 1.00 0.00 C ATOM 516 CG HIS A 34 6.992 10.156 0.832 1.00 0.00 C ATOM 517 ND1 HIS A 34 6.331 10.821 1.843 1.00 0.00 N ATOM 518 CD2 HIS A 34 6.976 10.988 -0.235 1.00 0.00 C ATOM 519 CE1 HIS A 34 5.933 11.999 1.404 1.00 0.00 C ATOM 520 NE2 HIS A 34 6.313 12.125 0.148 1.00 0.00 N ATOM 0 H HIS A 34 8.110 6.364 1.281 1.00 0.00 H new ATOM 0 HA HIS A 34 5.640 7.866 1.065 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.872 8.655 2.043 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.474 8.704 0.398 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.405 10.793 -1.207 1.00 0.00 H new ATOM 0 HE1 HIS A 34 5.388 12.735 1.976 1.00 0.00 H new ATOM 0 HE2 HIS A 34 6.141 12.938 -0.444 1.00 0.00 H new ATOM 529 N ALA A 35 7.263 6.763 -1.548 1.00 0.00 N ATOM 530 CA ALA A 35 7.200 6.610 -2.997 1.00 0.00 C ATOM 531 C ALA A 35 6.145 5.583 -3.393 1.00 0.00 C ATOM 532 O ALA A 35 5.646 5.594 -4.515 1.00 0.00 O ATOM 533 CB ALA A 35 8.562 6.212 -3.549 1.00 0.00 C ATOM 0 H ALA A 35 7.982 6.199 -1.095 1.00 0.00 H new ATOM 0 HA ALA A 35 6.916 7.571 -3.427 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.498 6.102 -4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.293 6.983 -3.305 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.872 5.266 -3.106 1.00 0.00 H new ATOM 539 N ALA A 36 5.800 4.707 -2.457 1.00 0.00 N ATOM 540 CA ALA A 36 4.828 3.648 -2.698 1.00 0.00 C ATOM 541 C ALA A 36 3.448 4.221 -2.968 1.00 0.00 C ATOM 542 O ALA A 36 2.620 3.586 -3.616 1.00 0.00 O ATOM 543 CB ALA A 36 4.780 2.690 -1.519 1.00 0.00 C ATOM 0 H ALA A 36 6.185 4.711 -1.512 1.00 0.00 H new ATOM 0 HA ALA A 36 5.146 3.098 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.049 1.906 -1.717 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.763 2.242 -1.374 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.494 3.234 -0.619 1.00 0.00 H new ATOM 549 N ALA A 37 3.217 5.434 -2.490 1.00 0.00 N ATOM 550 CA ALA A 37 1.958 6.111 -2.721 1.00 0.00 C ATOM 551 C ALA A 37 1.789 6.346 -4.210 1.00 0.00 C ATOM 552 O ALA A 37 0.711 6.179 -4.774 1.00 0.00 O ATOM 553 CB ALA A 37 1.928 7.431 -1.973 1.00 0.00 C ATOM 0 H ALA A 37 3.889 5.968 -1.939 1.00 0.00 H new ATOM 0 HA ALA A 37 1.138 5.492 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.976 7.931 -2.155 1.00 0.00 H new ATOM 0 HB2 ALA A 37 2.043 7.247 -0.905 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.743 8.065 -2.321 1.00 0.00 H new ATOM 559 N ALA A 38 2.884 6.726 -4.843 1.00 0.00 N ATOM 560 CA ALA A 38 2.889 6.923 -6.275 1.00 0.00 C ATOM 561 C ALA A 38 3.134 5.608 -7.005 1.00 0.00 C ATOM 562 O ALA A 38 2.693 5.420 -8.139 1.00 0.00 O ATOM 563 CB ALA A 38 3.922 7.963 -6.668 1.00 0.00 C ATOM 0 H ALA A 38 3.778 6.903 -4.386 1.00 0.00 H new ATOM 0 HA ALA A 38 1.907 7.291 -6.571 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.910 8.097 -7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.687 8.910 -6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.911 7.630 -6.354 1.00 0.00 H new ATOM 569 N TYR A 39 3.825 4.696 -6.336 1.00 0.00 N ATOM 570 CA TYR A 39 4.124 3.386 -6.898 1.00 0.00 C ATOM 571 C TYR A 39 2.830 2.641 -7.230 1.00 0.00 C ATOM 572 O TYR A 39 2.693 2.053 -8.304 1.00 0.00 O ATOM 573 CB TYR A 39 4.954 2.568 -5.904 1.00 0.00 C ATOM 574 CG TYR A 39 5.739 1.439 -6.533 1.00 0.00 C ATOM 575 CD1 TYR A 39 5.106 0.295 -6.999 1.00 0.00 C ATOM 576 CD2 TYR A 39 7.120 1.523 -6.658 1.00 0.00 C ATOM 577 CE1 TYR A 39 5.826 -0.733 -7.573 1.00 0.00 C ATOM 578 CE2 TYR A 39 7.847 0.501 -7.230 1.00 0.00 C ATOM 579 CZ TYR A 39 7.198 -0.624 -7.687 1.00 0.00 C ATOM 580 OH TYR A 39 7.924 -1.644 -8.257 1.00 0.00 O ATOM 0 H TYR A 39 4.192 4.841 -5.395 1.00 0.00 H new ATOM 0 HA TYR A 39 4.696 3.523 -7.816 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.647 3.235 -5.391 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.289 2.155 -5.146 1.00 0.00 H new ATOM 0 HD1 TYR A 39 4.033 0.208 -6.911 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.633 2.404 -6.301 1.00 0.00 H new ATOM 0 HE1 TYR A 39 5.320 -1.617 -7.931 1.00 0.00 H new ATOM 0 HE2 TYR A 39 8.920 0.582 -7.319 1.00 0.00 H new ATOM 0 HH TYR A 39 8.875 -1.406 -8.261 1.00 0.00 H new ATOM 590 N ILE A 40 1.876 2.691 -6.303 1.00 0.00 N ATOM 591 CA ILE A 40 0.623 1.964 -6.450 1.00 0.00 C ATOM 592 C ILE A 40 -0.332 2.684 -7.391 1.00 0.00 C ATOM 593 O ILE A 40 -1.105 2.050 -8.099 1.00 0.00 O ATOM 594 CB ILE A 40 -0.063 1.771 -5.085 1.00 0.00 C ATOM 595 CG1 ILE A 40 0.864 1.019 -4.142 1.00 0.00 C ATOM 596 CG2 ILE A 40 -1.384 1.021 -5.233 1.00 0.00 C ATOM 597 CD1 ILE A 40 0.510 1.215 -2.690 1.00 0.00 C ATOM 0 H ILE A 40 1.950 3.230 -5.440 1.00 0.00 H new ATOM 0 HA ILE A 40 0.867 0.990 -6.874 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.280 2.755 -4.669 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.830 -0.044 -4.379 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.889 1.350 -4.308 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.845 0.900 -4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.053 1.587 -5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.198 0.040 -5.671 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.207 0.654 -2.067 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.572 2.274 -2.440 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.504 0.858 -2.511 1.00 0.00 H new ATOM 609 N GLU A 41 -0.274 4.007 -7.416 1.00 0.00 N ATOM 610 CA GLU A 41 -1.203 4.768 -8.237 1.00 0.00 C ATOM 611 C GLU A 41 -0.842 4.652 -9.717 1.00 0.00 C ATOM 612 O GLU A 41 -1.680 4.887 -10.588 1.00 0.00 O ATOM 613 CB GLU A 41 -1.264 6.233 -7.794 1.00 0.00 C ATOM 614 CG GLU A 41 0.004 7.022 -8.064 1.00 0.00 C ATOM 615 CD GLU A 41 -0.162 8.497 -7.765 1.00 0.00 C ATOM 616 OE1 GLU A 41 -0.059 8.892 -6.583 1.00 0.00 O ATOM 617 OE2 GLU A 41 -0.405 9.270 -8.711 1.00 0.00 O ATOM 0 H GLU A 41 0.394 4.568 -6.887 1.00 0.00 H new ATOM 0 HA GLU A 41 -2.197 4.343 -8.100 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.096 6.720 -8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.479 6.269 -6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.816 6.620 -7.458 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.293 6.895 -9.107 1.00 0.00 H new ATOM 624 N GLU A 42 0.402 4.281 -9.999 1.00 0.00 N ATOM 625 CA GLU A 42 0.815 4.010 -11.371 1.00 0.00 C ATOM 626 C GLU A 42 0.552 2.553 -11.726 1.00 0.00 C ATOM 627 O GLU A 42 0.296 2.225 -12.881 1.00 0.00 O ATOM 628 CB GLU A 42 2.294 4.323 -11.584 1.00 0.00 C ATOM 629 CG GLU A 42 2.643 5.785 -11.390 1.00 0.00 C ATOM 630 CD GLU A 42 4.022 6.118 -11.911 1.00 0.00 C ATOM 631 OE1 GLU A 42 5.018 5.654 -11.319 1.00 0.00 O ATOM 632 OE2 GLU A 42 4.116 6.845 -12.922 1.00 0.00 O ATOM 0 H GLU A 42 1.137 4.162 -9.302 1.00 0.00 H new ATOM 0 HA GLU A 42 0.228 4.658 -12.022 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.886 3.723 -10.893 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.578 4.022 -12.592 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.905 6.404 -11.900 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.588 6.032 -10.330 1.00 0.00 H new ATOM 639 N GLN A 43 0.615 1.684 -10.724 1.00 0.00 N ATOM 640 CA GLN A 43 0.387 0.257 -10.927 1.00 0.00 C ATOM 641 C GLN A 43 -0.721 -0.235 -9.997 1.00 0.00 C ATOM 642 O GLN A 43 -0.473 -0.977 -9.048 1.00 0.00 O ATOM 643 CB GLN A 43 1.686 -0.512 -10.691 1.00 0.00 C ATOM 644 CG GLN A 43 2.757 -0.162 -11.707 1.00 0.00 C ATOM 645 CD GLN A 43 4.137 -0.615 -11.290 1.00 0.00 C ATOM 646 OE1 GLN A 43 4.556 -1.729 -11.600 1.00 0.00 O ATOM 647 NE2 GLN A 43 4.856 0.249 -10.592 1.00 0.00 N ATOM 0 H GLN A 43 0.823 1.943 -9.760 1.00 0.00 H new ATOM 0 HA GLN A 43 0.067 0.083 -11.954 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.056 -0.297 -9.688 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.484 -1.582 -10.733 1.00 0.00 H new ATOM 0 HG2 GLN A 43 2.505 -0.618 -12.664 1.00 0.00 H new ATOM 0 HG3 GLN A 43 2.766 0.917 -11.860 1.00 0.00 H new ATOM 0 HE21 GLN A 43 4.468 1.163 -10.357 1.00 0.00 H new ATOM 0 HE22 GLN A 43 5.798 0.001 -10.289 1.00 0.00 H new ATOM 656 N PRO A 44 -1.966 0.188 -10.266 1.00 0.00 N ATOM 657 CA PRO A 44 -3.092 -0.003 -9.371 1.00 0.00 C ATOM 658 C PRO A 44 -3.994 -1.173 -9.747 1.00 0.00 C ATOM 659 O PRO A 44 -3.614 -2.082 -10.487 1.00 0.00 O ATOM 660 CB PRO A 44 -3.840 1.314 -9.568 1.00 0.00 C ATOM 661 CG PRO A 44 -3.598 1.689 -11.000 1.00 0.00 C ATOM 662 CD PRO A 44 -2.392 0.908 -11.471 1.00 0.00 C ATOM 0 HA PRO A 44 -2.779 -0.235 -8.353 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.905 1.197 -9.365 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.469 2.083 -8.891 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.470 1.455 -11.611 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.422 2.761 -11.092 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -2.647 0.223 -12.280 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.608 1.566 -11.845 1.00 0.00 H new ATOM 670 N PHE A 45 -5.194 -1.121 -9.205 1.00 0.00 N ATOM 671 CA PHE A 45 -6.230 -2.103 -9.445 1.00 0.00 C ATOM 672 C PHE A 45 -7.551 -1.361 -9.615 1.00 0.00 C ATOM 673 O PHE A 45 -7.727 -0.294 -9.032 1.00 0.00 O ATOM 674 CB PHE A 45 -6.291 -3.106 -8.282 1.00 0.00 C ATOM 675 CG PHE A 45 -5.941 -2.510 -6.950 1.00 0.00 C ATOM 676 CD1 PHE A 45 -6.896 -1.854 -6.196 1.00 0.00 C ATOM 677 CD2 PHE A 45 -4.649 -2.607 -6.453 1.00 0.00 C ATOM 678 CE1 PHE A 45 -6.570 -1.304 -4.973 1.00 0.00 C ATOM 679 CE2 PHE A 45 -4.319 -2.058 -5.232 1.00 0.00 C ATOM 680 CZ PHE A 45 -5.281 -1.404 -4.491 1.00 0.00 C ATOM 0 H PHE A 45 -5.482 -0.376 -8.570 1.00 0.00 H new ATOM 0 HA PHE A 45 -6.018 -2.674 -10.349 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -7.295 -3.526 -8.229 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.611 -3.932 -8.490 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.907 -1.771 -6.567 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.893 -3.119 -7.030 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.325 -0.795 -4.392 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -3.310 -2.140 -4.857 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.026 -0.971 -3.535 1.00 0.00 H new ATOM 690 N PRO A 46 -8.462 -1.889 -10.458 1.00 0.00 N ATOM 691 CA PRO A 46 -9.694 -1.192 -10.898 1.00 0.00 C ATOM 692 C PRO A 46 -10.494 -0.496 -9.787 1.00 0.00 C ATOM 693 O PRO A 46 -11.279 0.412 -10.065 1.00 0.00 O ATOM 694 CB PRO A 46 -10.520 -2.320 -11.510 1.00 0.00 C ATOM 695 CG PRO A 46 -9.516 -3.282 -12.028 1.00 0.00 C ATOM 696 CD PRO A 46 -8.360 -3.234 -11.067 1.00 0.00 C ATOM 0 HA PRO A 46 -9.443 -0.371 -11.570 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -11.168 -2.785 -10.767 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -11.164 -1.951 -12.308 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -9.933 -4.287 -12.086 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -9.198 -3.010 -13.034 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -8.432 -4.020 -10.315 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.408 -3.370 -11.580 1.00 0.00 H new ATOM 704 N GLY A 47 -10.296 -0.915 -8.539 1.00 0.00 N ATOM 705 CA GLY A 47 -11.018 -0.328 -7.426 1.00 0.00 C ATOM 706 C GLY A 47 -10.087 0.308 -6.422 1.00 0.00 C ATOM 707 O GLY A 47 -10.360 0.315 -5.225 1.00 0.00 O ATOM 0 H GLY A 47 -9.644 -1.655 -8.280 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.715 0.422 -7.801 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -11.612 -1.097 -6.933 1.00 0.00 H new ATOM 711 N PHE A 48 -8.965 0.805 -6.907 1.00 0.00 N ATOM 712 CA PHE A 48 -8.020 1.525 -6.069 1.00 0.00 C ATOM 713 C PHE A 48 -8.620 2.836 -5.580 1.00 0.00 C ATOM 714 O PHE A 48 -9.135 3.631 -6.365 1.00 0.00 O ATOM 715 CB PHE A 48 -6.726 1.781 -6.848 1.00 0.00 C ATOM 716 CG PHE A 48 -5.773 2.720 -6.166 1.00 0.00 C ATOM 717 CD1 PHE A 48 -5.162 2.367 -4.976 1.00 0.00 C ATOM 718 CD2 PHE A 48 -5.485 3.954 -6.725 1.00 0.00 C ATOM 719 CE1 PHE A 48 -4.280 3.229 -4.353 1.00 0.00 C ATOM 720 CE2 PHE A 48 -4.606 4.820 -6.108 1.00 0.00 C ATOM 721 CZ PHE A 48 -4.003 4.456 -4.921 1.00 0.00 C ATOM 0 H PHE A 48 -8.683 0.723 -7.884 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.792 0.915 -5.195 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.222 0.829 -7.017 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -6.979 2.186 -7.828 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -5.377 1.407 -4.529 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.954 4.242 -7.654 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.809 2.943 -3.424 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.390 5.780 -6.553 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.314 5.132 -4.436 1.00 0.00 H new ATOM 731 N ILE A 49 -8.552 3.047 -4.275 1.00 0.00 N ATOM 732 CA ILE A 49 -9.106 4.246 -3.672 1.00 0.00 C ATOM 733 C ILE A 49 -8.006 5.243 -3.321 1.00 0.00 C ATOM 734 O ILE A 49 -7.973 6.347 -3.862 1.00 0.00 O ATOM 735 CB ILE A 49 -9.931 3.902 -2.409 1.00 0.00 C ATOM 736 CG1 ILE A 49 -11.174 3.093 -2.791 1.00 0.00 C ATOM 737 CG2 ILE A 49 -10.327 5.152 -1.637 1.00 0.00 C ATOM 738 CD1 ILE A 49 -12.124 3.818 -3.718 1.00 0.00 C ATOM 0 H ILE A 49 -8.118 2.403 -3.614 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.768 4.705 -4.406 1.00 0.00 H new ATOM 0 HB ILE A 49 -9.301 3.299 -1.756 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -10.858 2.165 -3.267 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -11.709 2.819 -1.882 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -10.905 4.869 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -9.430 5.686 -1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -10.930 5.798 -2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -12.977 3.176 -3.939 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -12.473 4.733 -3.239 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.608 4.068 -4.645 1.00 0.00 H new ATOM 750 N GLU A 50 -7.097 4.847 -2.439 1.00 0.00 N ATOM 751 CA GLU A 50 -6.069 5.759 -1.951 1.00 0.00 C ATOM 752 C GLU A 50 -4.944 4.996 -1.264 1.00 0.00 C ATOM 753 O GLU A 50 -5.138 3.885 -0.795 1.00 0.00 O ATOM 754 CB GLU A 50 -6.692 6.771 -0.978 1.00 0.00 C ATOM 755 CG GLU A 50 -5.699 7.765 -0.395 1.00 0.00 C ATOM 756 CD GLU A 50 -6.371 8.918 0.313 1.00 0.00 C ATOM 757 OE1 GLU A 50 -6.970 8.702 1.386 1.00 0.00 O ATOM 758 OE2 GLU A 50 -6.291 10.055 -0.200 1.00 0.00 O ATOM 0 H GLU A 50 -7.050 3.906 -2.048 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.646 6.290 -2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -7.478 7.321 -1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.168 6.228 -0.161 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.043 7.248 0.305 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -5.069 8.154 -1.195 1.00 0.00 H new ATOM 765 N CYS A 51 -3.768 5.591 -1.228 1.00 0.00 N ATOM 766 CA CYS A 51 -2.652 5.048 -0.480 1.00 0.00 C ATOM 767 C CYS A 51 -1.844 6.192 0.107 1.00 0.00 C ATOM 768 O CYS A 51 -1.311 7.030 -0.622 1.00 0.00 O ATOM 769 CB CYS A 51 -1.771 4.172 -1.368 1.00 0.00 C ATOM 770 SG CYS A 51 -1.341 4.926 -2.951 1.00 0.00 S ATOM 0 H CYS A 51 -3.560 6.462 -1.715 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.035 4.421 0.325 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.854 3.934 -0.830 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.285 3.229 -1.554 1.00 0.00 H new ATOM 0 HG CYS A 51 -2.127 4.465 -3.879 1.00 0.00 H new ATOM 776 N ILE A 52 -1.768 6.237 1.421 1.00 0.00 N ATOM 777 CA ILE A 52 -1.108 7.335 2.098 1.00 0.00 C ATOM 778 C ILE A 52 0.101 6.868 2.898 1.00 0.00 C ATOM 779 O ILE A 52 0.020 5.913 3.673 1.00 0.00 O ATOM 780 CB ILE A 52 -2.092 8.096 3.001 1.00 0.00 C ATOM 781 CG1 ILE A 52 -3.021 7.117 3.727 1.00 0.00 C ATOM 782 CG2 ILE A 52 -2.894 9.074 2.160 1.00 0.00 C ATOM 783 CD1 ILE A 52 -3.886 7.765 4.786 1.00 0.00 C ATOM 0 H ILE A 52 -2.155 5.526 2.042 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.747 8.015 1.327 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.533 8.650 3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.664 6.630 2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.419 6.336 4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.593 9.615 2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.218 9.782 1.681 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.448 8.528 1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.515 7.008 5.255 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.251 8.228 5.541 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.516 8.526 4.326 1.00 0.00 H new ATOM 795 N PRO A 53 1.247 7.532 2.690 1.00 0.00 N ATOM 796 CA PRO A 53 2.501 7.190 3.339 1.00 0.00 C ATOM 797 C PRO A 53 2.661 7.860 4.699 1.00 0.00 C ATOM 798 O PRO A 53 2.608 9.086 4.814 1.00 0.00 O ATOM 799 CB PRO A 53 3.556 7.714 2.367 1.00 0.00 C ATOM 800 CG PRO A 53 2.872 8.704 1.474 1.00 0.00 C ATOM 801 CD PRO A 53 1.401 8.689 1.803 1.00 0.00 C ATOM 0 HA PRO A 53 2.572 6.121 3.540 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.378 8.184 2.906 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.983 6.898 1.784 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.286 9.701 1.623 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.031 8.446 0.427 1.00 0.00 H new ATOM 0 HD2 PRO A 53 1.093 9.612 2.294 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.792 8.587 0.905 1.00 0.00 H new ATOM 809 N ALA A 54 2.887 7.057 5.722 1.00 0.00 N ATOM 810 CA ALA A 54 3.021 7.568 7.079 1.00 0.00 C ATOM 811 C ALA A 54 4.406 7.276 7.642 1.00 0.00 C ATOM 812 O ALA A 54 4.534 6.580 8.651 1.00 0.00 O ATOM 813 CB ALA A 54 1.945 6.976 7.976 1.00 0.00 C ATOM 0 H ALA A 54 2.982 6.045 5.641 1.00 0.00 H new ATOM 0 HA ALA A 54 2.894 8.650 7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.058 7.367 8.987 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.962 7.245 7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.043 5.891 7.994 1.00 0.00 H new ATOM 819 N PHE A 55 5.435 7.780 6.951 1.00 0.00 N ATOM 820 CA PHE A 55 6.831 7.712 7.407 1.00 0.00 C ATOM 821 C PHE A 55 7.402 6.296 7.303 1.00 0.00 C ATOM 822 O PHE A 55 8.491 6.101 6.769 1.00 0.00 O ATOM 823 CB PHE A 55 6.968 8.243 8.840 1.00 0.00 C ATOM 824 CG PHE A 55 8.393 8.399 9.289 1.00 0.00 C ATOM 825 CD1 PHE A 55 9.103 9.551 8.991 1.00 0.00 C ATOM 826 CD2 PHE A 55 9.026 7.395 10.006 1.00 0.00 C ATOM 827 CE1 PHE A 55 10.415 9.697 9.398 1.00 0.00 C ATOM 828 CE2 PHE A 55 10.336 7.537 10.418 1.00 0.00 C ATOM 829 CZ PHE A 55 11.033 8.689 10.112 1.00 0.00 C ATOM 0 H PHE A 55 5.323 8.250 6.053 1.00 0.00 H new ATOM 0 HA PHE A 55 7.414 8.350 6.742 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.466 9.208 8.911 1.00 0.00 H new ATOM 0 HB3 PHE A 55 6.453 7.565 9.521 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.625 10.344 8.434 1.00 0.00 H new ATOM 0 HD2 PHE A 55 8.487 6.490 10.245 1.00 0.00 H new ATOM 0 HE1 PHE A 55 10.958 10.599 9.158 1.00 0.00 H new ATOM 0 HE2 PHE A 55 10.815 6.748 10.979 1.00 0.00 H new ATOM 0 HZ PHE A 55 12.059 8.802 10.430 1.00 0.00 H new ATOM 839 N THR A 56 6.677 5.318 7.821 1.00 0.00 N ATOM 840 CA THR A 56 7.100 3.933 7.742 1.00 0.00 C ATOM 841 C THR A 56 5.929 3.015 7.388 1.00 0.00 C ATOM 842 O THR A 56 6.125 1.917 6.878 1.00 0.00 O ATOM 843 CB THR A 56 7.771 3.470 9.059 1.00 0.00 C ATOM 844 OG1 THR A 56 7.974 2.051 9.051 1.00 0.00 O ATOM 845 CG2 THR A 56 6.935 3.859 10.272 1.00 0.00 C ATOM 0 H THR A 56 5.789 5.461 8.302 1.00 0.00 H new ATOM 0 HA THR A 56 7.840 3.867 6.944 1.00 0.00 H new ATOM 0 HB THR A 56 8.737 3.971 9.128 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.400 1.777 9.890 1.00 0.00 H new ATOM 0 HG21 THR A 56 7.433 3.520 11.181 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.821 4.943 10.303 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.952 3.393 10.201 1.00 0.00 H new ATOM 853 N SER A 57 4.709 3.472 7.625 1.00 0.00 N ATOM 854 CA SER A 57 3.540 2.665 7.314 1.00 0.00 C ATOM 855 C SER A 57 2.800 3.225 6.107 1.00 0.00 C ATOM 856 O SER A 57 2.558 4.424 6.013 1.00 0.00 O ATOM 857 CB SER A 57 2.609 2.609 8.526 1.00 0.00 C ATOM 858 OG SER A 57 3.313 2.207 9.689 1.00 0.00 O ATOM 0 H SER A 57 4.504 4.387 8.027 1.00 0.00 H new ATOM 0 HA SER A 57 3.871 1.656 7.071 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.159 3.588 8.689 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.794 1.912 8.331 1.00 0.00 H new ATOM 0 HG SER A 57 2.697 2.180 10.451 1.00 0.00 H new ATOM 864 N LEU A 58 2.453 2.348 5.185 1.00 0.00 N ATOM 865 CA LEU A 58 1.692 2.725 4.012 1.00 0.00 C ATOM 866 C LEU A 58 0.241 2.301 4.192 1.00 0.00 C ATOM 867 O LEU A 58 -0.071 1.113 4.225 1.00 0.00 O ATOM 868 CB LEU A 58 2.286 2.066 2.765 1.00 0.00 C ATOM 869 CG LEU A 58 1.589 2.402 1.445 1.00 0.00 C ATOM 870 CD1 LEU A 58 1.817 3.860 1.059 1.00 0.00 C ATOM 871 CD2 LEU A 58 2.082 1.476 0.349 1.00 0.00 C ATOM 0 H LEU A 58 2.690 1.357 5.229 1.00 0.00 H new ATOM 0 HA LEU A 58 1.736 3.807 3.885 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.334 2.356 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.264 0.985 2.902 1.00 0.00 H new ATOM 0 HG LEU A 58 0.517 2.257 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.310 4.071 0.117 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.418 4.509 1.838 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.885 4.043 0.945 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.581 1.722 -0.587 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.158 1.597 0.227 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.861 0.443 0.619 1.00 0.00 H new ATOM 883 N THR A 59 -0.636 3.274 4.321 1.00 0.00 N ATOM 884 CA THR A 59 -2.044 3.006 4.546 1.00 0.00 C ATOM 885 C THR A 59 -2.759 2.877 3.197 1.00 0.00 C ATOM 886 O THR A 59 -2.942 3.865 2.487 1.00 0.00 O ATOM 887 CB THR A 59 -2.661 4.154 5.360 1.00 0.00 C ATOM 888 OG1 THR A 59 -1.732 4.578 6.370 1.00 0.00 O ATOM 889 CG2 THR A 59 -3.957 3.726 6.020 1.00 0.00 C ATOM 0 H THR A 59 -0.398 4.265 4.274 1.00 0.00 H new ATOM 0 HA THR A 59 -2.156 2.075 5.102 1.00 0.00 H new ATOM 0 HB THR A 59 -2.878 4.976 4.678 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.124 5.311 6.888 1.00 0.00 H new ATOM 0 HG21 THR A 59 -4.369 4.560 6.588 1.00 0.00 H new ATOM 0 HG22 THR A 59 -4.671 3.420 5.255 1.00 0.00 H new ATOM 0 HG23 THR A 59 -3.764 2.889 6.692 1.00 0.00 H new ATOM 897 N VAL A 60 -3.142 1.656 2.843 1.00 0.00 N ATOM 898 CA VAL A 60 -3.685 1.370 1.523 1.00 0.00 C ATOM 899 C VAL A 60 -5.199 1.194 1.572 1.00 0.00 C ATOM 900 O VAL A 60 -5.720 0.246 2.164 1.00 0.00 O ATOM 901 CB VAL A 60 -3.037 0.106 0.916 1.00 0.00 C ATOM 902 CG1 VAL A 60 -3.607 -0.196 -0.461 1.00 0.00 C ATOM 903 CG2 VAL A 60 -1.530 0.277 0.842 1.00 0.00 C ATOM 0 H VAL A 60 -3.085 0.844 3.457 1.00 0.00 H new ATOM 0 HA VAL A 60 -3.453 2.226 0.889 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.266 -0.740 1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.132 -1.091 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.682 -0.360 -0.382 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.416 0.646 -1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -1.083 -0.620 0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.292 1.137 0.216 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.132 0.437 1.844 1.00 0.00 H new ATOM 913 N PHE A 61 -5.892 2.118 0.941 1.00 0.00 N ATOM 914 CA PHE A 61 -7.338 2.088 0.856 1.00 0.00 C ATOM 915 C PHE A 61 -7.765 1.627 -0.529 1.00 0.00 C ATOM 916 O PHE A 61 -7.088 1.903 -1.523 1.00 0.00 O ATOM 917 CB PHE A 61 -7.909 3.473 1.121 1.00 0.00 C ATOM 918 CG PHE A 61 -7.657 3.994 2.505 1.00 0.00 C ATOM 919 CD1 PHE A 61 -6.451 4.599 2.827 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.639 3.899 3.479 1.00 0.00 C ATOM 921 CE1 PHE A 61 -6.234 5.096 4.097 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.423 4.390 4.749 1.00 0.00 C ATOM 923 CZ PHE A 61 -7.220 4.990 5.059 1.00 0.00 C ATOM 0 H PHE A 61 -5.466 2.916 0.470 1.00 0.00 H new ATOM 0 HA PHE A 61 -7.716 1.393 1.606 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.484 4.172 0.400 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -8.985 3.449 0.946 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -5.676 4.682 2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -9.584 3.435 3.240 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.293 5.568 4.338 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -9.194 4.305 5.500 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.049 5.377 6.053 1.00 0.00 H new ATOM 933 N TYR A 62 -8.898 0.960 -0.596 1.00 0.00 N ATOM 934 CA TYR A 62 -9.378 0.391 -1.842 1.00 0.00 C ATOM 935 C TYR A 62 -10.839 0.011 -1.714 1.00 0.00 C ATOM 936 O TYR A 62 -11.398 0.006 -0.618 1.00 0.00 O ATOM 937 CB TYR A 62 -8.547 -0.829 -2.250 1.00 0.00 C ATOM 938 CG TYR A 62 -8.187 -1.736 -1.099 1.00 0.00 C ATOM 939 CD1 TYR A 62 -9.157 -2.468 -0.435 1.00 0.00 C ATOM 940 CD2 TYR A 62 -6.871 -1.851 -0.674 1.00 0.00 C ATOM 941 CE1 TYR A 62 -8.827 -3.290 0.616 1.00 0.00 C ATOM 942 CE2 TYR A 62 -6.534 -2.675 0.377 1.00 0.00 C ATOM 943 CZ TYR A 62 -7.517 -3.393 1.017 1.00 0.00 C ATOM 944 OH TYR A 62 -7.192 -4.217 2.065 1.00 0.00 O ATOM 0 H TYR A 62 -9.510 0.797 0.204 1.00 0.00 H new ATOM 0 HA TYR A 62 -9.273 1.146 -2.621 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -9.102 -1.403 -2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.631 -0.488 -2.731 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -10.188 -2.392 -0.748 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -6.099 -1.286 -1.175 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.595 -3.853 1.125 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -5.505 -2.757 0.696 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.575 -4.912 1.755 1.00 0.00 H new ATOM 954 N ASP A 63 -11.444 -0.294 -2.840 1.00 0.00 N ATOM 955 CA ASP A 63 -12.857 -0.585 -2.891 1.00 0.00 C ATOM 956 C ASP A 63 -13.076 -2.085 -2.903 1.00 0.00 C ATOM 957 O ASP A 63 -12.785 -2.762 -3.895 1.00 0.00 O ATOM 958 CB ASP A 63 -13.474 0.043 -4.135 1.00 0.00 C ATOM 959 CG ASP A 63 -14.948 0.335 -3.954 1.00 0.00 C ATOM 960 OD1 ASP A 63 -15.666 -0.521 -3.395 1.00 0.00 O ATOM 961 OD2 ASP A 63 -15.392 1.428 -4.366 1.00 0.00 O ATOM 0 H ASP A 63 -10.972 -0.347 -3.742 1.00 0.00 H new ATOM 0 HA ASP A 63 -13.338 -0.164 -2.008 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.948 0.968 -4.373 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -13.339 -0.627 -4.984 1.00 0.00 H new ATOM 966 N MET A 64 -13.583 -2.600 -1.797 1.00 0.00 N ATOM 967 CA MET A 64 -13.804 -4.031 -1.641 1.00 0.00 C ATOM 968 C MET A 64 -14.804 -4.573 -2.660 1.00 0.00 C ATOM 969 O MET A 64 -14.814 -5.766 -2.939 1.00 0.00 O ATOM 970 CB MET A 64 -14.246 -4.365 -0.209 1.00 0.00 C ATOM 971 CG MET A 64 -15.140 -3.309 0.426 1.00 0.00 C ATOM 972 SD MET A 64 -16.702 -3.074 -0.442 1.00 0.00 S ATOM 973 CE MET A 64 -17.169 -1.452 0.154 1.00 0.00 C ATOM 0 H MET A 64 -13.852 -2.044 -0.985 1.00 0.00 H new ATOM 0 HA MET A 64 -12.851 -4.525 -1.832 1.00 0.00 H new ATOM 0 HB2 MET A 64 -14.775 -5.318 -0.216 1.00 0.00 H new ATOM 0 HB3 MET A 64 -13.360 -4.497 0.412 1.00 0.00 H new ATOM 0 HG2 MET A 64 -15.346 -3.592 1.458 1.00 0.00 H new ATOM 0 HG3 MET A 64 -14.604 -2.361 0.456 1.00 0.00 H new ATOM 0 HE1 MET A 64 -18.120 -1.160 -0.292 1.00 0.00 H new ATOM 0 HE2 MET A 64 -17.270 -1.478 1.239 1.00 0.00 H new ATOM 0 HE3 MET A 64 -16.402 -0.728 -0.121 1.00 0.00 H new ATOM 983 N TYR A 65 -15.628 -3.702 -3.231 1.00 0.00 N ATOM 984 CA TYR A 65 -16.606 -4.129 -4.222 1.00 0.00 C ATOM 985 C TYR A 65 -15.901 -4.596 -5.495 1.00 0.00 C ATOM 986 O TYR A 65 -16.364 -5.511 -6.174 1.00 0.00 O ATOM 987 CB TYR A 65 -17.600 -2.991 -4.542 1.00 0.00 C ATOM 988 CG TYR A 65 -17.440 -2.389 -5.928 1.00 0.00 C ATOM 989 CD1 TYR A 65 -16.431 -1.470 -6.200 1.00 0.00 C ATOM 990 CD2 TYR A 65 -18.282 -2.760 -6.970 1.00 0.00 C ATOM 991 CE1 TYR A 65 -16.264 -0.942 -7.462 1.00 0.00 C ATOM 992 CE2 TYR A 65 -18.123 -2.229 -8.237 1.00 0.00 C ATOM 993 CZ TYR A 65 -17.110 -1.323 -8.477 1.00 0.00 C ATOM 994 OH TYR A 65 -16.936 -0.806 -9.739 1.00 0.00 O ATOM 0 H TYR A 65 -15.638 -2.703 -3.026 1.00 0.00 H new ATOM 0 HA TYR A 65 -17.170 -4.964 -3.807 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -18.616 -3.373 -4.440 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -17.481 -2.201 -3.800 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.765 -1.164 -5.406 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -19.072 -3.473 -6.787 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -15.473 -0.232 -7.653 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -18.789 -2.522 -9.035 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.147 -1.213 -10.153 1.00 0.00 H new ATOM 1004 N GLU A 66 -14.755 -3.989 -5.796 1.00 0.00 N ATOM 1005 CA GLU A 66 -14.105 -4.211 -7.077 1.00 0.00 C ATOM 1006 C GLU A 66 -13.135 -5.359 -6.946 1.00 0.00 C ATOM 1007 O GLU A 66 -12.876 -6.104 -7.887 1.00 0.00 O ATOM 1008 CB GLU A 66 -13.375 -2.950 -7.528 1.00 0.00 C ATOM 1009 CG GLU A 66 -12.883 -3.010 -8.964 1.00 0.00 C ATOM 1010 CD GLU A 66 -14.007 -3.208 -9.960 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -14.683 -2.222 -10.313 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -14.221 -4.358 -10.395 1.00 0.00 O ATOM 0 H GLU A 66 -14.264 -3.346 -5.174 1.00 0.00 H new ATOM 0 HA GLU A 66 -14.857 -4.455 -7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.042 -2.095 -7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -12.524 -2.778 -6.869 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -12.352 -2.088 -9.200 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.166 -3.825 -9.064 1.00 0.00 H new ATOM 1019 N VAL A 67 -12.599 -5.490 -5.754 1.00 0.00 N ATOM 1020 CA VAL A 67 -11.708 -6.582 -5.455 1.00 0.00 C ATOM 1021 C VAL A 67 -12.518 -7.857 -5.281 1.00 0.00 C ATOM 1022 O VAL A 67 -12.079 -8.936 -5.669 1.00 0.00 O ATOM 1023 CB VAL A 67 -10.848 -6.278 -4.210 1.00 0.00 C ATOM 1024 CG1 VAL A 67 -10.252 -4.884 -4.330 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -11.645 -6.410 -2.923 1.00 0.00 C ATOM 0 H VAL A 67 -12.766 -4.852 -4.976 1.00 0.00 H new ATOM 0 HA VAL A 67 -11.016 -6.718 -6.286 1.00 0.00 H new ATOM 0 HB VAL A 67 -10.045 -7.014 -4.165 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -9.645 -4.671 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -9.629 -4.830 -5.223 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.055 -4.150 -4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.001 -6.187 -2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.480 -5.710 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.026 -7.427 -2.834 1.00 0.00 H new ATOM 1035 N TYR A 68 -13.730 -7.711 -4.734 1.00 0.00 N ATOM 1036 CA TYR A 68 -14.670 -8.819 -4.618 1.00 0.00 C ATOM 1037 C TYR A 68 -15.209 -9.183 -5.992 1.00 0.00 C ATOM 1038 O TYR A 68 -15.665 -10.303 -6.218 1.00 0.00 O ATOM 1039 CB TYR A 68 -15.826 -8.463 -3.675 1.00 0.00 C ATOM 1040 CG TYR A 68 -16.701 -9.646 -3.319 1.00 0.00 C ATOM 1041 CD1 TYR A 68 -16.342 -10.503 -2.288 1.00 0.00 C ATOM 1042 CD2 TYR A 68 -17.873 -9.914 -4.019 1.00 0.00 C ATOM 1043 CE1 TYR A 68 -17.120 -11.595 -1.964 1.00 0.00 C ATOM 1044 CE2 TYR A 68 -18.659 -11.005 -3.699 1.00 0.00 C ATOM 1045 CZ TYR A 68 -18.277 -11.842 -2.671 1.00 0.00 C ATOM 1046 OH TYR A 68 -19.049 -12.938 -2.357 1.00 0.00 O ATOM 0 H TYR A 68 -14.080 -6.827 -4.364 1.00 0.00 H new ATOM 0 HA TYR A 68 -14.143 -9.676 -4.199 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -15.419 -8.034 -2.760 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -16.441 -7.694 -4.141 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -15.438 -10.312 -1.730 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -18.173 -9.260 -4.824 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -16.824 -12.253 -1.160 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -19.567 -11.201 -4.250 1.00 0.00 H new ATOM 0 HH TYR A 68 -19.830 -12.968 -2.948 1.00 0.00 H new ATOM 1056 N LYS A 69 -15.148 -8.223 -6.910 1.00 0.00 N ATOM 1057 CA LYS A 69 -15.517 -8.463 -8.295 1.00 0.00 C ATOM 1058 C LYS A 69 -14.628 -9.560 -8.858 1.00 0.00 C ATOM 1059 O LYS A 69 -15.061 -10.398 -9.647 1.00 0.00 O ATOM 1060 CB LYS A 69 -15.346 -7.193 -9.114 1.00 0.00 C ATOM 1061 CG LYS A 69 -15.910 -7.276 -10.521 1.00 0.00 C ATOM 1062 CD LYS A 69 -17.351 -6.809 -10.564 1.00 0.00 C ATOM 1063 CE LYS A 69 -17.458 -5.324 -10.245 1.00 0.00 C ATOM 1064 NZ LYS A 69 -16.736 -4.492 -11.241 1.00 0.00 N ATOM 0 H LYS A 69 -14.845 -7.269 -6.715 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.562 -8.769 -8.343 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -15.829 -6.369 -8.590 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.284 -6.954 -9.174 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.307 -6.666 -11.193 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -15.847 -8.303 -10.880 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -17.770 -7.003 -11.552 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -17.943 -7.381 -9.849 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -18.508 -5.032 -10.221 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -17.052 -5.136 -9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -17.021 -3.498 -11.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -15.711 -4.576 -11.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -16.969 -4.819 -12.200 1.00 0.00 H new ATOM 1078 N HIS A 70 -13.379 -9.551 -8.420 1.00 0.00 N ATOM 1079 CA HIS A 70 -12.432 -10.570 -8.796 1.00 0.00 C ATOM 1080 C HIS A 70 -12.523 -11.732 -7.805 1.00 0.00 C ATOM 1081 O HIS A 70 -12.949 -12.821 -8.179 1.00 0.00 O ATOM 1082 CB HIS A 70 -11.026 -9.964 -8.817 1.00 0.00 C ATOM 1083 CG HIS A 70 -10.005 -10.790 -9.538 1.00 0.00 C ATOM 1084 ND1 HIS A 70 -9.154 -10.264 -10.483 1.00 0.00 N ATOM 1085 CD2 HIS A 70 -9.697 -12.103 -9.451 1.00 0.00 C ATOM 1086 CE1 HIS A 70 -8.372 -11.217 -10.946 1.00 0.00 C ATOM 1087 NE2 HIS A 70 -8.681 -12.346 -10.338 1.00 0.00 N ATOM 0 H HIS A 70 -13.001 -8.837 -7.797 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.656 -10.952 -9.792 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -11.075 -8.980 -9.284 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.694 -9.813 -7.790 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -10.166 -12.828 -8.802 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -7.606 -11.095 -11.698 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -8.237 -13.250 -10.501 1.00 0.00 H new ATOM 1096 N LEU A 71 -12.145 -11.451 -6.546 1.00 0.00 N ATOM 1097 CA LEU A 71 -12.183 -12.408 -5.418 1.00 0.00 C ATOM 1098 C LEU A 71 -12.106 -13.872 -5.858 1.00 0.00 C ATOM 1099 O LEU A 71 -13.125 -14.560 -5.926 1.00 0.00 O ATOM 1100 CB LEU A 71 -13.445 -12.189 -4.571 1.00 0.00 C ATOM 1101 CG LEU A 71 -13.220 -11.761 -3.106 1.00 0.00 C ATOM 1102 CD1 LEU A 71 -12.622 -12.887 -2.272 1.00 0.00 C ATOM 1103 CD2 LEU A 71 -12.330 -10.531 -3.028 1.00 0.00 C ATOM 0 H LEU A 71 -11.796 -10.532 -6.274 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.292 -12.208 -4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.057 -11.430 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -14.022 -13.113 -4.572 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.199 -11.517 -2.693 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.479 -12.544 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.297 -13.742 -2.278 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.661 -13.181 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.188 -10.251 -1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.363 -10.752 -3.480 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.801 -9.707 -3.564 1.00 0.00 H new ATOM 1115 N PRO A 72 -10.898 -14.359 -6.187 1.00 0.00 N ATOM 1116 CA PRO A 72 -10.686 -15.773 -6.521 1.00 0.00 C ATOM 1117 C PRO A 72 -11.110 -16.676 -5.368 1.00 0.00 C ATOM 1118 O PRO A 72 -11.107 -16.257 -4.214 1.00 0.00 O ATOM 1119 CB PRO A 72 -9.175 -15.868 -6.750 1.00 0.00 C ATOM 1120 CG PRO A 72 -8.741 -14.474 -7.046 1.00 0.00 C ATOM 1121 CD PRO A 72 -9.656 -13.579 -6.260 1.00 0.00 C ATOM 0 HA PRO A 72 -11.270 -16.092 -7.384 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.666 -16.261 -5.870 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -8.943 -16.538 -7.578 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -7.701 -14.320 -6.757 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -8.810 -14.262 -8.113 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -9.256 -13.363 -5.269 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -9.809 -12.621 -6.758 1.00 0.00 H new ATOM 1129 N GLN A 73 -11.457 -17.919 -5.682 1.00 0.00 N ATOM 1130 CA GLN A 73 -12.055 -18.823 -4.704 1.00 0.00 C ATOM 1131 C GLN A 73 -11.035 -19.279 -3.658 1.00 0.00 C ATOM 1132 O GLN A 73 -11.407 -19.784 -2.595 1.00 0.00 O ATOM 1133 CB GLN A 73 -12.677 -20.025 -5.419 1.00 0.00 C ATOM 1134 CG GLN A 73 -13.538 -20.903 -4.523 1.00 0.00 C ATOM 1135 CD GLN A 73 -14.632 -20.126 -3.815 1.00 0.00 C ATOM 1136 OE1 GLN A 73 -15.731 -19.961 -4.340 1.00 0.00 O ATOM 1137 NE2 GLN A 73 -14.340 -19.648 -2.617 1.00 0.00 N ATOM 0 H GLN A 73 -11.334 -18.326 -6.609 1.00 0.00 H new ATOM 0 HA GLN A 73 -12.838 -18.281 -4.174 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.285 -19.666 -6.250 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -11.879 -20.632 -5.847 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.990 -21.693 -5.122 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -12.905 -21.388 -3.781 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.416 -19.807 -2.216 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.039 -19.121 -2.094 1.00 0.00 H new ATOM 1146 N GLY A 74 -9.754 -19.107 -3.962 1.00 0.00 N ATOM 1147 CA GLY A 74 -8.717 -19.365 -2.982 1.00 0.00 C ATOM 1148 C GLY A 74 -8.621 -18.222 -1.997 1.00 0.00 C ATOM 1149 O GLY A 74 -8.245 -18.403 -0.838 1.00 0.00 O ATOM 0 H GLY A 74 -9.415 -18.793 -4.871 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -8.933 -20.292 -2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.759 -19.501 -3.485 1.00 0.00 H new ATOM 1153 N ILE A 75 -8.980 -17.042 -2.479 1.00 0.00 N ATOM 1154 CA ILE A 75 -9.042 -15.840 -1.667 1.00 0.00 C ATOM 1155 C ILE A 75 -10.302 -15.859 -0.824 1.00 0.00 C ATOM 1156 O ILE A 75 -11.397 -16.097 -1.326 1.00 0.00 O ATOM 1157 CB ILE A 75 -9.049 -14.591 -2.562 1.00 0.00 C ATOM 1158 CG1 ILE A 75 -7.891 -14.651 -3.557 1.00 0.00 C ATOM 1159 CG2 ILE A 75 -8.971 -13.332 -1.719 1.00 0.00 C ATOM 1160 CD1 ILE A 75 -6.527 -14.496 -2.927 1.00 0.00 C ATOM 0 H ILE A 75 -9.239 -16.892 -3.454 1.00 0.00 H new ATOM 0 HA ILE A 75 -8.166 -15.810 -1.020 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.984 -14.565 -3.121 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -7.929 -15.604 -4.085 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.026 -13.868 -4.303 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.977 -12.458 -2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.828 -13.290 -1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.052 -13.342 -1.134 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -5.761 -14.550 -3.700 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.466 -13.531 -2.423 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -6.368 -15.295 -2.202 1.00 0.00 H new ATOM 1172 N SER A 76 -10.143 -15.624 0.456 1.00 0.00 N ATOM 1173 CA SER A 76 -11.261 -15.658 1.370 1.00 0.00 C ATOM 1174 C SER A 76 -11.589 -14.257 1.864 1.00 0.00 C ATOM 1175 O SER A 76 -12.497 -14.059 2.673 1.00 0.00 O ATOM 1176 CB SER A 76 -10.892 -16.556 2.535 1.00 0.00 C ATOM 1177 OG SER A 76 -10.482 -17.835 2.075 1.00 0.00 O ATOM 0 H SER A 76 -9.246 -15.406 0.891 1.00 0.00 H new ATOM 0 HA SER A 76 -12.144 -16.046 0.863 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.089 -16.098 3.113 1.00 0.00 H new ATOM 0 HB3 SER A 76 -11.746 -16.662 3.204 1.00 0.00 H new ATOM 0 HG SER A 76 -10.247 -18.398 2.842 1.00 0.00 H new ATOM 1183 N SER A 77 -10.846 -13.286 1.364 1.00 0.00 N ATOM 1184 CA SER A 77 -10.936 -11.931 1.867 1.00 0.00 C ATOM 1185 C SER A 77 -10.698 -10.892 0.775 1.00 0.00 C ATOM 1186 O SER A 77 -9.759 -11.008 -0.008 1.00 0.00 O ATOM 1187 CB SER A 77 -9.896 -11.767 2.965 1.00 0.00 C ATOM 1188 OG SER A 77 -9.886 -10.450 3.491 1.00 0.00 O ATOM 0 H SER A 77 -10.173 -13.413 0.608 1.00 0.00 H new ATOM 0 HA SER A 77 -11.944 -11.767 2.248 1.00 0.00 H new ATOM 0 HB2 SER A 77 -10.100 -12.477 3.767 1.00 0.00 H new ATOM 0 HB3 SER A 77 -8.909 -12.007 2.569 1.00 0.00 H new ATOM 0 HG SER A 77 -9.737 -10.485 4.459 1.00 0.00 H new ATOM 1194 N PRO A 78 -11.569 -9.871 0.708 1.00 0.00 N ATOM 1195 CA PRO A 78 -11.365 -8.691 -0.140 1.00 0.00 C ATOM 1196 C PRO A 78 -9.947 -8.129 -0.039 1.00 0.00 C ATOM 1197 O PRO A 78 -9.273 -7.948 -1.048 1.00 0.00 O ATOM 1198 CB PRO A 78 -12.374 -7.694 0.424 1.00 0.00 C ATOM 1199 CG PRO A 78 -13.492 -8.544 0.917 1.00 0.00 C ATOM 1200 CD PRO A 78 -12.857 -9.814 1.425 1.00 0.00 C ATOM 0 HA PRO A 78 -11.498 -8.917 -1.198 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -11.940 -7.101 1.229 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -12.713 -6.995 -0.340 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -14.045 -8.040 1.710 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -14.203 -8.756 0.118 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -12.713 -9.786 2.505 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -13.475 -10.685 1.208 1.00 0.00 H new ATOM 1208 N PHE A 79 -9.503 -7.854 1.182 1.00 0.00 N ATOM 1209 CA PHE A 79 -8.143 -7.365 1.416 1.00 0.00 C ATOM 1210 C PHE A 79 -7.098 -8.347 0.884 1.00 0.00 C ATOM 1211 O PHE A 79 -6.026 -7.946 0.430 1.00 0.00 O ATOM 1212 CB PHE A 79 -7.929 -7.108 2.920 1.00 0.00 C ATOM 1213 CG PHE A 79 -6.818 -7.901 3.562 1.00 0.00 C ATOM 1214 CD1 PHE A 79 -5.522 -7.404 3.590 1.00 0.00 C ATOM 1215 CD2 PHE A 79 -7.070 -9.132 4.147 1.00 0.00 C ATOM 1216 CE1 PHE A 79 -4.502 -8.123 4.185 1.00 0.00 C ATOM 1217 CE2 PHE A 79 -6.053 -9.856 4.743 1.00 0.00 C ATOM 1218 CZ PHE A 79 -4.767 -9.350 4.761 1.00 0.00 C ATOM 0 H PHE A 79 -10.063 -7.960 2.028 1.00 0.00 H new ATOM 0 HA PHE A 79 -8.019 -6.428 0.873 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.725 -6.047 3.064 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.859 -7.328 3.444 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.308 -6.445 3.142 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -8.073 -9.531 4.137 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -3.498 -7.725 4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.264 -10.815 5.193 1.00 0.00 H new ATOM 0 HZ PHE A 79 -3.971 -9.913 5.225 1.00 0.00 H new ATOM 1228 N GLU A 80 -7.429 -9.629 0.921 1.00 0.00 N ATOM 1229 CA GLU A 80 -6.479 -10.669 0.578 1.00 0.00 C ATOM 1230 C GLU A 80 -6.221 -10.709 -0.927 1.00 0.00 C ATOM 1231 O GLU A 80 -5.129 -11.078 -1.367 1.00 0.00 O ATOM 1232 CB GLU A 80 -6.986 -12.029 1.050 1.00 0.00 C ATOM 1233 CG GLU A 80 -5.955 -13.138 0.941 1.00 0.00 C ATOM 1234 CD GLU A 80 -6.580 -14.516 0.878 1.00 0.00 C ATOM 1235 OE1 GLU A 80 -7.660 -14.721 1.481 1.00 0.00 O ATOM 1236 OE2 GLU A 80 -6.001 -15.390 0.201 1.00 0.00 O ATOM 0 H GLU A 80 -8.352 -9.972 1.186 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.540 -10.440 1.082 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -7.309 -11.946 2.088 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -7.864 -12.303 0.464 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.349 -12.978 0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.282 -13.088 1.797 1.00 0.00 H new ATOM 1243 N SER A 81 -7.221 -10.331 -1.721 1.00 0.00 N ATOM 1244 CA SER A 81 -7.066 -10.331 -3.168 1.00 0.00 C ATOM 1245 C SER A 81 -6.238 -9.128 -3.582 1.00 0.00 C ATOM 1246 O SER A 81 -5.445 -9.192 -4.516 1.00 0.00 O ATOM 1247 CB SER A 81 -8.425 -10.315 -3.875 1.00 0.00 C ATOM 1248 OG SER A 81 -9.151 -9.137 -3.580 1.00 0.00 O ATOM 0 H SER A 81 -8.136 -10.025 -1.389 1.00 0.00 H new ATOM 0 HA SER A 81 -6.555 -11.247 -3.465 1.00 0.00 H new ATOM 0 HB2 SER A 81 -8.276 -10.392 -4.952 1.00 0.00 H new ATOM 0 HB3 SER A 81 -9.005 -11.186 -3.570 1.00 0.00 H new ATOM 0 HG SER A 81 -9.058 -8.925 -2.628 1.00 0.00 H new ATOM 1254 N VAL A 82 -6.420 -8.038 -2.852 1.00 0.00 N ATOM 1255 CA VAL A 82 -5.651 -6.825 -3.077 1.00 0.00 C ATOM 1256 C VAL A 82 -4.178 -7.069 -2.800 1.00 0.00 C ATOM 1257 O VAL A 82 -3.307 -6.462 -3.427 1.00 0.00 O ATOM 1258 CB VAL A 82 -6.133 -5.676 -2.180 1.00 0.00 C ATOM 1259 CG1 VAL A 82 -5.483 -4.377 -2.609 1.00 0.00 C ATOM 1260 CG2 VAL A 82 -7.644 -5.569 -2.207 1.00 0.00 C ATOM 0 H VAL A 82 -7.099 -7.970 -2.094 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.795 -6.546 -4.121 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.838 -5.885 -1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.830 -3.567 -1.968 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -4.400 -4.467 -2.525 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.750 -4.161 -3.643 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -7.962 -4.748 -1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.977 -5.381 -3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -8.081 -6.501 -1.849 1.00 0.00 H new ATOM 1270 N LYS A 83 -3.900 -7.964 -1.856 1.00 0.00 N ATOM 1271 CA LYS A 83 -2.530 -8.360 -1.574 1.00 0.00 C ATOM 1272 C LYS A 83 -1.866 -8.848 -2.849 1.00 0.00 C ATOM 1273 O LYS A 83 -0.711 -8.556 -3.111 1.00 0.00 O ATOM 1274 CB LYS A 83 -2.468 -9.463 -0.519 1.00 0.00 C ATOM 1275 CG LYS A 83 -2.723 -8.990 0.902 1.00 0.00 C ATOM 1276 CD LYS A 83 -1.663 -9.549 1.836 1.00 0.00 C ATOM 1277 CE LYS A 83 -0.273 -9.116 1.392 1.00 0.00 C ATOM 1278 NZ LYS A 83 0.801 -9.931 2.012 1.00 0.00 N ATOM 0 H LYS A 83 -4.603 -8.425 -1.278 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.005 -7.488 -1.186 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.200 -10.230 -0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.486 -9.934 -0.561 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.713 -7.901 0.938 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.712 -9.311 1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.849 -9.204 2.853 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.723 -10.637 1.852 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.202 -9.192 0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.123 -8.067 1.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 1.719 -9.665 1.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 0.818 -9.761 3.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.620 -10.939 1.831 1.00 0.00 H new ATOM 1292 N ARG A 84 -2.636 -9.551 -3.661 1.00 0.00 N ATOM 1293 CA ARG A 84 -2.121 -10.157 -4.878 1.00 0.00 C ATOM 1294 C ARG A 84 -1.735 -9.075 -5.882 1.00 0.00 C ATOM 1295 O ARG A 84 -0.787 -9.232 -6.649 1.00 0.00 O ATOM 1296 CB ARG A 84 -3.177 -11.090 -5.476 1.00 0.00 C ATOM 1297 CG ARG A 84 -3.841 -11.991 -4.441 1.00 0.00 C ATOM 1298 CD ARG A 84 -2.816 -12.830 -3.692 1.00 0.00 C ATOM 1299 NE ARG A 84 -3.423 -13.657 -2.653 1.00 0.00 N ATOM 1300 CZ ARG A 84 -2.997 -14.882 -2.329 1.00 0.00 C ATOM 1301 NH1 ARG A 84 -1.980 -15.428 -2.986 1.00 0.00 N ATOM 1302 NH2 ARG A 84 -3.598 -15.569 -1.362 1.00 0.00 N ATOM 0 H ARG A 84 -3.629 -9.718 -3.498 1.00 0.00 H new ATOM 0 HA ARG A 84 -1.230 -10.739 -4.640 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.942 -10.492 -5.971 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -2.712 -11.710 -6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -4.401 -11.381 -3.732 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.559 -12.646 -4.935 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.288 -13.470 -4.399 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -2.073 -12.173 -3.241 1.00 0.00 H new ATOM 0 HE ARG A 84 -4.221 -13.277 -2.143 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -1.523 -14.913 -3.738 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -1.656 -16.363 -2.738 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -4.389 -15.162 -0.863 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -3.268 -16.503 -1.119 1.00 0.00 H new ATOM 1316 N ASP A 85 -2.465 -7.966 -5.838 1.00 0.00 N ATOM 1317 CA ASP A 85 -2.238 -6.843 -6.729 1.00 0.00 C ATOM 1318 C ASP A 85 -1.049 -6.010 -6.278 1.00 0.00 C ATOM 1319 O ASP A 85 -0.297 -5.488 -7.094 1.00 0.00 O ATOM 1320 CB ASP A 85 -3.481 -5.949 -6.801 1.00 0.00 C ATOM 1321 CG ASP A 85 -4.616 -6.577 -7.584 1.00 0.00 C ATOM 1322 OD1 ASP A 85 -4.526 -6.621 -8.829 1.00 0.00 O ATOM 1323 OD2 ASP A 85 -5.601 -7.029 -6.966 1.00 0.00 O ATOM 0 H ASP A 85 -3.232 -7.824 -5.181 1.00 0.00 H new ATOM 0 HA ASP A 85 -2.026 -7.252 -7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.823 -5.729 -5.790 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.212 -4.998 -7.261 1.00 0.00 H new ATOM 1328 N VAL A 86 -0.880 -5.867 -4.977 1.00 0.00 N ATOM 1329 CA VAL A 86 0.193 -5.038 -4.460 1.00 0.00 C ATOM 1330 C VAL A 86 1.498 -5.825 -4.322 1.00 0.00 C ATOM 1331 O VAL A 86 2.559 -5.318 -4.667 1.00 0.00 O ATOM 1332 CB VAL A 86 -0.193 -4.359 -3.124 1.00 0.00 C ATOM 1333 CG1 VAL A 86 -1.416 -3.480 -3.323 1.00 0.00 C ATOM 1334 CG2 VAL A 86 -0.448 -5.376 -2.024 1.00 0.00 C ATOM 0 H VAL A 86 -1.464 -6.308 -4.266 1.00 0.00 H new ATOM 0 HA VAL A 86 0.359 -4.247 -5.191 1.00 0.00 H new ATOM 0 HB VAL A 86 0.649 -3.743 -2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -1.681 -3.006 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.196 -2.712 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.250 -4.090 -3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -0.716 -4.857 -1.104 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.264 -6.035 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.453 -5.966 -1.858 1.00 0.00 H new ATOM 1344 N GLU A 87 1.410 -7.072 -3.866 1.00 0.00 N ATOM 1345 CA GLU A 87 2.590 -7.908 -3.642 1.00 0.00 C ATOM 1346 C GLU A 87 3.268 -8.306 -4.947 1.00 0.00 C ATOM 1347 O GLU A 87 4.482 -8.473 -4.990 1.00 0.00 O ATOM 1348 CB GLU A 87 2.207 -9.165 -2.871 1.00 0.00 C ATOM 1349 CG GLU A 87 1.743 -8.888 -1.452 1.00 0.00 C ATOM 1350 CD GLU A 87 2.886 -8.635 -0.493 1.00 0.00 C ATOM 1351 OE1 GLU A 87 3.718 -7.745 -0.761 1.00 0.00 O ATOM 1352 OE2 GLU A 87 2.949 -9.341 0.536 1.00 0.00 O ATOM 0 H GLU A 87 0.527 -7.530 -3.642 1.00 0.00 H new ATOM 0 HA GLU A 87 3.296 -7.314 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.414 -9.684 -3.409 1.00 0.00 H new ATOM 0 HB3 GLU A 87 3.064 -9.838 -2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 87 1.081 -8.022 -1.455 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.158 -9.736 -1.095 1.00 0.00 H new