USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 706 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 48 TYR OH : rot -178:sc= 0.305 USER MOD Set 1.2: A 75 THR OG1 : rot -170:sc= 0.323 USER MOD Set 1.3: A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 24 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-2.8!) USER MOD Set 2.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 150:sc= -0.277 (180deg=-1.24!) USER MOD Single : A 16 GLN : amide:sc= -0.0375 X(o=-0.037,f=-0.051) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -1.45! C(o=-1.4!,f=-4!) USER MOD Single : A 27 LYS NZ :NH3+ -126:sc= 0 (180deg=-0.0425) USER MOD Single : A 31 ASN : amide:sc= -3.36! C(o=-3.4!,f=-11!) USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= 1.25 (180deg=0.497) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.561! X(o=-0.56!,f=-0.15) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.0661 X(o=-0.066,f=-0.27) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 135 N GLY A 9 10.540 -2.594 -14.546 1.00 35.43 N ATOM 136 CA GLY A 9 9.454 -1.819 -13.977 1.00 53.24 C ATOM 137 C GLY A 9 9.803 -0.345 -13.914 1.00 74.21 C ATOM 138 O GLY A 9 10.290 0.220 -14.900 1.00 71.35 O ATOM 0 HA2 GLY A 9 8.554 -1.956 -14.576 1.00 53.24 H new ATOM 0 HA3 GLY A 9 9.229 -2.185 -12.975 1.00 53.24 H new ATOM 142 N GLU A 10 9.566 0.275 -12.765 1.00 52.31 N ATOM 143 CA GLU A 10 9.906 1.681 -12.561 1.00 12.24 C ATOM 144 C GLU A 10 10.156 1.946 -11.080 1.00 22.32 C ATOM 145 O GLU A 10 11.300 2.124 -10.653 1.00 32.34 O ATOM 146 CB GLU A 10 8.790 2.588 -13.094 1.00 41.21 C ATOM 147 CG GLU A 10 9.058 4.079 -12.915 1.00 71.00 C ATOM 148 CD GLU A 10 7.980 4.940 -13.542 1.00 60.04 C ATOM 149 OE1 GLU A 10 6.938 5.176 -12.893 1.00 24.43 O ATOM 150 OE2 GLU A 10 8.161 5.374 -14.701 1.00 63.43 O ATOM 0 H GLU A 10 9.138 -0.174 -11.956 1.00 52.31 H new ATOM 0 HA GLU A 10 10.817 1.907 -13.115 1.00 12.24 H new ATOM 0 HB2 GLU A 10 8.644 2.381 -14.154 1.00 41.21 H new ATOM 0 HB3 GLU A 10 7.858 2.334 -12.588 1.00 41.21 H new ATOM 0 HG2 GLU A 10 9.129 4.307 -11.852 1.00 71.00 H new ATOM 0 HG3 GLU A 10 10.022 4.328 -13.359 1.00 71.00 H new ATOM 157 N ILE A 11 9.083 1.951 -10.292 1.00 65.10 N ATOM 158 CA ILE A 11 9.186 2.168 -8.853 1.00 42.21 C ATOM 159 C ILE A 11 8.955 0.852 -8.115 1.00 42.44 C ATOM 160 O ILE A 11 7.821 0.486 -7.794 1.00 73.12 O ATOM 161 CB ILE A 11 8.180 3.244 -8.357 1.00 73.01 C ATOM 162 CG1 ILE A 11 8.369 4.558 -9.139 1.00 50.12 C ATOM 163 CG2 ILE A 11 8.342 3.484 -6.852 1.00 50.14 C ATOM 164 CD1 ILE A 11 7.391 5.651 -8.754 1.00 52.43 C ATOM 0 H ILE A 11 8.131 1.807 -10.628 1.00 65.10 H new ATOM 0 HA ILE A 11 10.190 2.536 -8.641 1.00 42.21 H new ATOM 0 HB ILE A 11 7.169 2.878 -8.536 1.00 73.01 H new ATOM 0 HG12 ILE A 11 9.384 4.921 -8.980 1.00 50.12 H new ATOM 0 HG13 ILE A 11 8.267 4.352 -10.205 1.00 50.12 H new ATOM 0 HG21 ILE A 11 7.629 4.241 -6.525 1.00 50.14 H new ATOM 0 HG22 ILE A 11 8.157 2.555 -6.313 1.00 50.14 H new ATOM 0 HG23 ILE A 11 9.356 3.828 -6.645 1.00 50.14 H new ATOM 0 HD11 ILE A 11 7.589 6.543 -9.349 1.00 52.43 H new ATOM 0 HD12 ILE A 11 6.373 5.310 -8.940 1.00 52.43 H new ATOM 0 HD13 ILE A 11 7.507 5.887 -7.696 1.00 52.43 H new ATOM 176 N MET A 12 10.045 0.132 -7.880 1.00 31.21 N ATOM 177 CA MET A 12 9.994 -1.181 -7.251 1.00 35.40 C ATOM 178 C MET A 12 10.166 -1.052 -5.741 1.00 64.43 C ATOM 179 O MET A 12 10.995 -0.271 -5.268 1.00 61.13 O ATOM 180 CB MET A 12 11.094 -2.076 -7.838 1.00 2.22 C ATOM 181 CG MET A 12 12.508 -1.601 -7.516 1.00 41.44 C ATOM 182 SD MET A 12 13.718 -2.131 -8.741 1.00 63.21 S ATOM 183 CE MET A 12 13.106 -1.269 -10.193 1.00 41.23 C ATOM 0 H MET A 12 10.987 0.441 -8.120 1.00 31.21 H new ATOM 0 HA MET A 12 9.022 -1.634 -7.449 1.00 35.40 H new ATOM 0 HB2 MET A 12 10.966 -3.090 -7.459 1.00 2.22 H new ATOM 0 HB3 MET A 12 10.973 -2.122 -8.920 1.00 2.22 H new ATOM 0 HG2 MET A 12 12.515 -0.513 -7.452 1.00 41.44 H new ATOM 0 HG3 MET A 12 12.799 -1.980 -6.536 1.00 41.44 H new ATOM 0 HE1 MET A 12 13.940 -1.034 -10.855 1.00 41.23 H new ATOM 0 HE2 MET A 12 12.393 -1.903 -10.719 1.00 41.23 H new ATOM 0 HE3 MET A 12 12.614 -0.346 -9.887 1.00 41.23 H new ATOM 193 N ILE A 13 9.374 -1.804 -4.991 1.00 64.32 N ATOM 194 CA ILE A 13 9.441 -1.792 -3.535 1.00 12.41 C ATOM 195 C ILE A 13 9.758 -3.193 -3.024 1.00 34.44 C ATOM 196 O ILE A 13 8.894 -4.071 -3.010 1.00 72.51 O ATOM 197 CB ILE A 13 8.115 -1.300 -2.902 1.00 0.05 C ATOM 198 CG1 ILE A 13 7.699 0.055 -3.501 1.00 15.00 C ATOM 199 CG2 ILE A 13 8.250 -1.201 -1.382 1.00 14.23 C ATOM 200 CD1 ILE A 13 8.726 1.150 -3.315 1.00 61.54 C ATOM 0 H ILE A 13 8.670 -2.437 -5.371 1.00 64.32 H new ATOM 0 HA ILE A 13 10.230 -1.099 -3.245 1.00 12.41 H new ATOM 0 HB ILE A 13 7.335 -2.027 -3.129 1.00 0.05 H new ATOM 0 HG12 ILE A 13 7.508 -0.073 -4.567 1.00 15.00 H new ATOM 0 HG13 ILE A 13 6.760 0.370 -3.045 1.00 15.00 H new ATOM 0 HG21 ILE A 13 7.309 -0.854 -0.955 1.00 14.23 H new ATOM 0 HG22 ILE A 13 8.494 -2.182 -0.974 1.00 14.23 H new ATOM 0 HG23 ILE A 13 9.043 -0.497 -1.132 1.00 14.23 H new ATOM 0 HD11 ILE A 13 8.359 2.073 -3.764 1.00 61.54 H new ATOM 0 HD12 ILE A 13 8.900 1.308 -2.251 1.00 61.54 H new ATOM 0 HD13 ILE A 13 9.660 0.859 -3.796 1.00 61.54 H new ATOM 212 N LEU A 14 11.009 -3.405 -2.649 1.00 53.00 N ATOM 213 CA LEU A 14 11.461 -4.700 -2.150 1.00 72.02 C ATOM 214 C LEU A 14 11.758 -4.613 -0.654 1.00 73.23 C ATOM 215 O LEU A 14 12.551 -3.777 -0.213 1.00 53.25 O ATOM 216 CB LEU A 14 12.699 -5.181 -2.933 1.00 12.12 C ATOM 217 CG LEU A 14 12.406 -5.958 -4.236 1.00 24.40 C ATOM 218 CD1 LEU A 14 11.489 -5.172 -5.175 1.00 70.33 C ATOM 219 CD2 LEU A 14 13.710 -6.320 -4.942 1.00 12.14 C ATOM 0 H LEU A 14 11.738 -2.692 -2.680 1.00 53.00 H new ATOM 0 HA LEU A 14 10.666 -5.431 -2.300 1.00 72.02 H new ATOM 0 HB2 LEU A 14 13.311 -4.313 -3.179 1.00 12.12 H new ATOM 0 HB3 LEU A 14 13.296 -5.817 -2.279 1.00 12.12 H new ATOM 0 HG LEU A 14 11.883 -6.874 -3.962 1.00 24.40 H new ATOM 0 HD11 LEU A 14 11.308 -5.754 -6.079 1.00 70.33 H new ATOM 0 HD12 LEU A 14 10.541 -4.974 -4.676 1.00 70.33 H new ATOM 0 HD13 LEU A 14 11.964 -4.227 -5.441 1.00 70.33 H new ATOM 0 HD21 LEU A 14 13.488 -6.867 -5.858 1.00 12.14 H new ATOM 0 HD22 LEU A 14 14.256 -5.409 -5.187 1.00 12.14 H new ATOM 0 HD23 LEU A 14 14.318 -6.943 -4.286 1.00 12.14 H new ATOM 231 N ILE A 15 11.102 -5.472 0.115 1.00 3.24 N ATOM 232 CA ILE A 15 11.264 -5.509 1.566 1.00 60.42 C ATOM 233 C ILE A 15 11.054 -6.935 2.070 1.00 54.45 C ATOM 234 O ILE A 15 10.143 -7.621 1.608 1.00 10.11 O ATOM 235 CB ILE A 15 10.262 -4.552 2.271 1.00 63.40 C ATOM 236 CG1 ILE A 15 10.413 -4.642 3.802 1.00 31.24 C ATOM 237 CG2 ILE A 15 8.824 -4.857 1.841 1.00 20.32 C ATOM 238 CD1 ILE A 15 9.419 -3.798 4.573 1.00 4.32 C ATOM 0 H ILE A 15 10.444 -6.162 -0.247 1.00 3.24 H new ATOM 0 HA ILE A 15 12.275 -5.177 1.804 1.00 60.42 H new ATOM 0 HB ILE A 15 10.492 -3.531 1.968 1.00 63.40 H new ATOM 0 HG12 ILE A 15 10.303 -5.683 4.106 1.00 31.24 H new ATOM 0 HG13 ILE A 15 11.423 -4.335 4.075 1.00 31.24 H new ATOM 0 HG21 ILE A 15 8.141 -4.175 2.347 1.00 20.32 H new ATOM 0 HG22 ILE A 15 8.732 -4.729 0.762 1.00 20.32 H new ATOM 0 HG23 ILE A 15 8.575 -5.884 2.107 1.00 20.32 H new ATOM 0 HD11 ILE A 15 9.593 -3.917 5.642 1.00 4.32 H new ATOM 0 HD12 ILE A 15 9.543 -2.750 4.300 1.00 4.32 H new ATOM 0 HD13 ILE A 15 8.405 -4.118 4.332 1.00 4.32 H new ATOM 250 N GLN A 16 11.914 -7.387 2.990 1.00 74.05 N ATOM 251 CA GLN A 16 11.816 -8.742 3.552 1.00 61.34 C ATOM 252 C GLN A 16 11.982 -9.802 2.458 1.00 34.34 C ATOM 253 O GLN A 16 11.567 -10.951 2.630 1.00 33.15 O ATOM 254 CB GLN A 16 10.467 -8.940 4.268 1.00 43.23 C ATOM 255 CG GLN A 16 10.275 -8.075 5.510 1.00 74.04 C ATOM 256 CD GLN A 16 11.258 -8.413 6.615 1.00 35.21 C ATOM 257 OE1 GLN A 16 12.328 -7.809 6.726 1.00 3.22 O ATOM 258 NE2 GLN A 16 10.910 -9.395 7.431 1.00 70.32 N ATOM 0 H GLN A 16 12.687 -6.835 3.362 1.00 74.05 H new ATOM 0 HA GLN A 16 12.621 -8.858 4.277 1.00 61.34 H new ATOM 0 HB2 GLN A 16 9.662 -8.726 3.564 1.00 43.23 H new ATOM 0 HB3 GLN A 16 10.372 -9.988 4.553 1.00 43.23 H new ATOM 0 HG2 GLN A 16 10.387 -7.025 5.238 1.00 74.04 H new ATOM 0 HG3 GLN A 16 9.258 -8.201 5.882 1.00 74.04 H new ATOM 0 HE21 GLN A 16 10.016 -9.870 7.306 1.00 70.32 H new ATOM 0 HE22 GLN A 16 11.536 -9.677 8.185 1.00 70.32 H new ATOM 267 N ASN A 17 12.623 -9.412 1.354 1.00 63.52 N ATOM 268 CA ASN A 17 12.741 -10.266 0.166 1.00 13.20 C ATOM 269 C ASN A 17 11.367 -10.509 -0.459 1.00 64.50 C ATOM 270 O ASN A 17 11.111 -11.565 -1.039 1.00 51.44 O ATOM 271 CB ASN A 17 13.439 -11.607 0.483 1.00 61.31 C ATOM 272 CG ASN A 17 14.949 -11.474 0.615 1.00 51.24 C ATOM 273 OD1 ASN A 17 15.679 -11.551 -0.378 1.00 55.51 O ATOM 274 ND2 ASN A 17 15.435 -11.291 1.837 1.00 11.43 N ATOM 0 H ASN A 17 13.073 -8.502 1.256 1.00 63.52 H new ATOM 0 HA ASN A 17 13.367 -9.737 -0.553 1.00 13.20 H new ATOM 0 HB2 ASN A 17 13.033 -12.012 1.410 1.00 61.31 H new ATOM 0 HB3 ASN A 17 13.210 -12.325 -0.305 1.00 61.31 H new ATOM 0 HD21 ASN A 17 16.442 -11.209 1.978 1.00 11.43 H new ATOM 0 HD22 ASN A 17 14.802 -11.232 2.634 1.00 11.43 H new ATOM 281 N ALA A 18 10.489 -9.516 -0.341 1.00 33.13 N ATOM 282 CA ALA A 18 9.188 -9.531 -1.010 1.00 61.22 C ATOM 283 C ALA A 18 9.188 -8.510 -2.147 1.00 12.32 C ATOM 284 O ALA A 18 9.886 -7.495 -2.070 1.00 2.12 O ATOM 285 CB ALA A 18 8.067 -9.243 -0.017 1.00 24.21 C ATOM 0 H ALA A 18 10.657 -8.680 0.219 1.00 33.13 H new ATOM 0 HA ALA A 18 9.012 -10.523 -1.427 1.00 61.22 H new ATOM 0 HB1 ALA A 18 7.108 -9.259 -0.536 1.00 24.21 H new ATOM 0 HB2 ALA A 18 8.069 -10.003 0.765 1.00 24.21 H new ATOM 0 HB3 ALA A 18 8.221 -8.261 0.431 1.00 24.21 H new ATOM 291 N GLU A 19 8.406 -8.779 -3.191 1.00 15.22 N ATOM 292 CA GLU A 19 8.452 -7.990 -4.425 1.00 42.25 C ATOM 293 C GLU A 19 7.165 -7.179 -4.613 1.00 4.11 C ATOM 294 O GLU A 19 6.089 -7.747 -4.806 1.00 33.12 O ATOM 295 CB GLU A 19 8.652 -8.946 -5.610 1.00 11.03 C ATOM 296 CG GLU A 19 9.057 -8.275 -6.919 1.00 20.23 C ATOM 297 CD GLU A 19 9.175 -9.271 -8.069 1.00 3.43 C ATOM 298 OE1 GLU A 19 8.239 -10.081 -8.263 1.00 10.13 O ATOM 299 OE2 GLU A 19 10.197 -9.247 -8.786 1.00 64.11 O ATOM 0 H GLU A 19 7.729 -9.541 -3.208 1.00 15.22 H new ATOM 0 HA GLU A 19 9.280 -7.284 -4.367 1.00 42.25 H new ATOM 0 HB2 GLU A 19 9.415 -9.677 -5.343 1.00 11.03 H new ATOM 0 HB3 GLU A 19 7.726 -9.497 -5.773 1.00 11.03 H new ATOM 0 HG2 GLU A 19 8.322 -7.512 -7.176 1.00 20.23 H new ATOM 0 HG3 GLU A 19 10.011 -7.766 -6.783 1.00 20.23 H new ATOM 306 N PHE A 20 7.277 -5.853 -4.557 1.00 53.31 N ATOM 307 CA PHE A 20 6.130 -4.960 -4.758 1.00 13.54 C ATOM 308 C PHE A 20 6.479 -3.859 -5.762 1.00 13.44 C ATOM 309 O PHE A 20 7.649 -3.666 -6.095 1.00 62.44 O ATOM 310 CB PHE A 20 5.704 -4.311 -3.428 1.00 72.24 C ATOM 311 CG PHE A 20 5.279 -5.290 -2.356 1.00 41.55 C ATOM 312 CD1 PHE A 20 3.972 -5.757 -2.301 1.00 43.52 C ATOM 313 CD2 PHE A 20 6.184 -5.734 -1.401 1.00 13.02 C ATOM 314 CE1 PHE A 20 3.577 -6.646 -1.319 1.00 53.04 C ATOM 315 CE2 PHE A 20 5.793 -6.623 -0.417 1.00 3.14 C ATOM 316 CZ PHE A 20 4.489 -7.080 -0.375 1.00 52.33 C ATOM 0 H PHE A 20 8.155 -5.368 -4.373 1.00 53.31 H new ATOM 0 HA PHE A 20 5.306 -5.559 -5.145 1.00 13.54 H new ATOM 0 HB2 PHE A 20 6.533 -3.714 -3.048 1.00 72.24 H new ATOM 0 HB3 PHE A 20 4.880 -3.624 -3.622 1.00 72.24 H new ATOM 0 HD1 PHE A 20 3.255 -5.421 -3.035 1.00 43.52 H new ATOM 0 HD2 PHE A 20 7.204 -5.381 -1.427 1.00 13.02 H new ATOM 0 HE1 PHE A 20 2.557 -7.001 -1.289 1.00 53.04 H new ATOM 0 HE2 PHE A 20 6.507 -6.961 0.320 1.00 3.14 H new ATOM 0 HZ PHE A 20 4.183 -7.775 0.394 1.00 52.33 H new ATOM 326 N GLU A 21 5.461 -3.151 -6.251 1.00 71.55 N ATOM 327 CA GLU A 21 5.665 -1.938 -7.046 1.00 73.22 C ATOM 328 C GLU A 21 4.636 -0.889 -6.639 1.00 51.23 C ATOM 329 O GLU A 21 3.612 -1.216 -6.033 1.00 0.05 O ATOM 330 CB GLU A 21 5.556 -2.206 -8.562 1.00 11.30 C ATOM 331 CG GLU A 21 4.126 -2.402 -9.074 1.00 10.34 C ATOM 332 CD GLU A 21 4.036 -2.407 -10.599 1.00 5.15 C ATOM 333 OE1 GLU A 21 4.343 -1.359 -11.217 1.00 51.33 O ATOM 334 OE2 GLU A 21 3.644 -3.445 -11.185 1.00 31.22 O ATOM 0 H GLU A 21 4.481 -3.398 -6.110 1.00 71.55 H new ATOM 0 HA GLU A 21 6.675 -1.580 -6.849 1.00 73.22 H new ATOM 0 HB2 GLU A 21 6.009 -1.372 -9.098 1.00 11.30 H new ATOM 0 HB3 GLU A 21 6.139 -3.095 -8.803 1.00 11.30 H new ATOM 0 HG2 GLU A 21 3.733 -3.343 -8.689 1.00 10.34 H new ATOM 0 HG3 GLU A 21 3.492 -1.607 -8.680 1.00 10.34 H new ATOM 341 N LEU A 22 4.915 0.366 -6.966 1.00 54.31 N ATOM 342 CA LEU A 22 3.991 1.461 -6.694 1.00 35.45 C ATOM 343 C LEU A 22 3.052 1.642 -7.884 1.00 63.45 C ATOM 344 O LEU A 22 3.449 2.183 -8.918 1.00 31.10 O ATOM 345 CB LEU A 22 4.773 2.756 -6.423 1.00 41.34 C ATOM 346 CG LEU A 22 3.922 3.994 -6.097 1.00 4.53 C ATOM 347 CD1 LEU A 22 3.109 3.774 -4.823 1.00 24.01 C ATOM 348 CD2 LEU A 22 4.812 5.229 -5.967 1.00 14.15 C ATOM 0 H LEU A 22 5.780 0.653 -7.423 1.00 54.31 H new ATOM 0 HA LEU A 22 3.400 1.225 -5.809 1.00 35.45 H new ATOM 0 HB2 LEU A 22 5.456 2.579 -5.592 1.00 41.34 H new ATOM 0 HB3 LEU A 22 5.385 2.979 -7.297 1.00 41.34 H new ATOM 0 HG LEU A 22 3.222 4.157 -6.917 1.00 4.53 H new ATOM 0 HD11 LEU A 22 2.515 4.663 -4.612 1.00 24.01 H new ATOM 0 HD12 LEU A 22 2.447 2.919 -4.957 1.00 24.01 H new ATOM 0 HD13 LEU A 22 3.784 3.583 -3.989 1.00 24.01 H new ATOM 0 HD21 LEU A 22 4.196 6.098 -5.736 1.00 14.15 H new ATOM 0 HD22 LEU A 22 5.535 5.074 -5.167 1.00 14.15 H new ATOM 0 HD23 LEU A 22 5.340 5.397 -6.906 1.00 14.15 H new ATOM 360 N VAL A 23 1.815 1.169 -7.744 1.00 14.02 N ATOM 361 CA VAL A 23 0.847 1.204 -8.843 1.00 33.34 C ATOM 362 C VAL A 23 0.011 2.483 -8.821 1.00 52.03 C ATOM 363 O VAL A 23 -0.609 2.844 -9.823 1.00 41.10 O ATOM 364 CB VAL A 23 -0.098 -0.026 -8.817 1.00 3.42 C ATOM 365 CG1 VAL A 23 0.696 -1.317 -9.005 1.00 0.51 C ATOM 366 CG2 VAL A 23 -0.908 -0.070 -7.523 1.00 52.10 C ATOM 0 H VAL A 23 1.458 0.757 -6.882 1.00 14.02 H new ATOM 0 HA VAL A 23 1.431 1.180 -9.763 1.00 33.34 H new ATOM 0 HB VAL A 23 -0.799 0.069 -9.646 1.00 3.42 H new ATOM 0 HG11 VAL A 23 0.016 -2.169 -8.984 1.00 0.51 H new ATOM 0 HG12 VAL A 23 1.214 -1.289 -9.964 1.00 0.51 H new ATOM 0 HG13 VAL A 23 1.426 -1.416 -8.202 1.00 0.51 H new ATOM 0 HG21 VAL A 23 -1.562 -0.942 -7.532 1.00 52.10 H new ATOM 0 HG22 VAL A 23 -0.230 -0.133 -6.672 1.00 52.10 H new ATOM 0 HG23 VAL A 23 -1.511 0.834 -7.440 1.00 52.10 H new ATOM 376 N HIS A 24 -0.010 3.170 -7.682 1.00 11.45 N ATOM 377 CA HIS A 24 -0.767 4.415 -7.554 1.00 33.32 C ATOM 378 C HIS A 24 -0.179 5.286 -6.453 1.00 0.15 C ATOM 379 O HIS A 24 0.085 4.809 -5.353 1.00 33.13 O ATOM 380 CB HIS A 24 -2.244 4.117 -7.241 1.00 42.32 C ATOM 381 CG HIS A 24 -3.145 5.319 -7.296 1.00 54.44 C ATOM 382 ND1 HIS A 24 -2.909 6.484 -6.590 1.00 30.33 N ATOM 383 CD2 HIS A 24 -4.288 5.535 -7.992 1.00 62.21 C ATOM 384 CE1 HIS A 24 -3.863 7.359 -6.852 1.00 63.21 C ATOM 385 NE2 HIS A 24 -4.706 6.808 -7.697 1.00 32.24 N ATOM 0 H HIS A 24 0.486 2.888 -6.836 1.00 11.45 H new ATOM 0 HA HIS A 24 -0.704 4.949 -8.502 1.00 33.32 H new ATOM 0 HB2 HIS A 24 -2.609 3.372 -7.947 1.00 42.32 H new ATOM 0 HB3 HIS A 24 -2.310 3.674 -6.247 1.00 42.32 H new ATOM 0 HD2 HIS A 24 -4.778 4.836 -8.654 1.00 62.21 H new ATOM 0 HE1 HIS A 24 -3.938 8.356 -6.443 1.00 63.21 H new ATOM 0 HE2 HIS A 24 -5.541 7.257 -8.074 1.00 32.24 H new ATOM 394 N ASN A 25 -0.001 6.569 -6.750 1.00 42.42 N ATOM 395 CA ASN A 25 0.481 7.538 -5.766 1.00 23.20 C ATOM 396 C ASN A 25 -0.277 8.850 -5.927 1.00 41.00 C ATOM 397 O ASN A 25 -0.498 9.305 -7.049 1.00 65.52 O ATOM 398 CB ASN A 25 1.990 7.759 -5.939 1.00 4.52 C ATOM 399 CG ASN A 25 2.574 8.736 -4.930 1.00 11.31 C ATOM 400 OD1 ASN A 25 2.058 8.899 -3.821 1.00 1.22 O ATOM 401 ND2 ASN A 25 3.673 9.378 -5.300 1.00 71.42 N ATOM 0 H ASN A 25 -0.184 6.966 -7.671 1.00 42.42 H new ATOM 0 HA ASN A 25 0.305 7.152 -4.762 1.00 23.20 H new ATOM 0 HB2 ASN A 25 2.503 6.802 -5.847 1.00 4.52 H new ATOM 0 HB3 ASN A 25 2.183 8.129 -6.946 1.00 4.52 H new ATOM 0 HD21 ASN A 25 4.121 10.033 -4.659 1.00 71.42 H new ATOM 0 HD22 ASN A 25 4.071 9.217 -6.225 1.00 71.42 H new ATOM 408 N PHE A 26 -0.699 9.433 -4.809 1.00 44.33 N ATOM 409 CA PHE A 26 -1.475 10.670 -4.823 1.00 51.10 C ATOM 410 C PHE A 26 -0.892 11.667 -3.827 1.00 73.23 C ATOM 411 O PHE A 26 -0.575 11.301 -2.692 1.00 54.33 O ATOM 412 CB PHE A 26 -2.946 10.376 -4.483 1.00 41.14 C ATOM 413 CG PHE A 26 -3.841 11.597 -4.480 1.00 11.05 C ATOM 414 CD1 PHE A 26 -4.338 12.114 -5.669 1.00 42.14 C ATOM 415 CD2 PHE A 26 -4.191 12.221 -3.289 1.00 63.23 C ATOM 416 CE1 PHE A 26 -5.161 13.223 -5.669 1.00 22.00 C ATOM 417 CE2 PHE A 26 -5.016 13.329 -3.286 1.00 21.31 C ATOM 418 CZ PHE A 26 -5.500 13.831 -4.477 1.00 35.20 C ATOM 0 H PHE A 26 -0.515 9.066 -3.875 1.00 44.33 H new ATOM 0 HA PHE A 26 -1.427 11.104 -5.822 1.00 51.10 H new ATOM 0 HB2 PHE A 26 -3.336 9.656 -5.202 1.00 41.14 H new ATOM 0 HB3 PHE A 26 -2.992 9.904 -3.502 1.00 41.14 H new ATOM 0 HD1 PHE A 26 -4.078 11.643 -6.605 1.00 42.14 H new ATOM 0 HD2 PHE A 26 -3.813 11.835 -2.354 1.00 63.23 H new ATOM 0 HE1 PHE A 26 -5.539 13.615 -6.602 1.00 22.00 H new ATOM 0 HE2 PHE A 26 -5.282 13.802 -2.352 1.00 21.31 H new ATOM 0 HZ PHE A 26 -6.143 14.699 -4.476 1.00 35.20 H new ATOM 428 N LYS A 27 -0.731 12.911 -4.279 1.00 24.33 N ATOM 429 CA LYS A 27 -0.221 14.003 -3.449 1.00 35.50 C ATOM 430 C LYS A 27 1.216 13.708 -3.007 1.00 60.54 C ATOM 431 O LYS A 27 1.737 14.343 -2.087 1.00 4.44 O ATOM 432 CB LYS A 27 -1.132 14.214 -2.219 1.00 11.21 C ATOM 433 CG LYS A 27 -1.362 15.681 -1.835 1.00 61.14 C ATOM 434 CD LYS A 27 -2.688 16.219 -2.381 1.00 50.03 C ATOM 435 CE LYS A 27 -2.745 16.218 -3.908 1.00 44.44 C ATOM 436 NZ LYS A 27 -1.785 17.182 -4.510 1.00 12.12 N ATOM 0 H LYS A 27 -0.951 13.191 -5.235 1.00 24.33 H new ATOM 0 HA LYS A 27 -0.221 14.919 -4.040 1.00 35.50 H new ATOM 0 HB2 LYS A 27 -2.098 13.748 -2.415 1.00 11.21 H new ATOM 0 HB3 LYS A 27 -0.695 13.694 -1.367 1.00 11.21 H new ATOM 0 HG2 LYS A 27 -1.352 15.777 -0.749 1.00 61.14 H new ATOM 0 HG3 LYS A 27 -0.541 16.288 -2.216 1.00 61.14 H new ATOM 0 HD2 LYS A 27 -3.508 15.615 -1.991 1.00 50.03 H new ATOM 0 HD3 LYS A 27 -2.840 17.235 -2.017 1.00 50.03 H new ATOM 0 HE2 LYS A 27 -2.529 15.215 -4.277 1.00 44.44 H new ATOM 0 HE3 LYS A 27 -3.756 16.465 -4.232 1.00 44.44 H new ATOM 0 HZ1 LYS A 27 -2.292 17.819 -5.157 1.00 12.12 H new ATOM 0 HZ2 LYS A 27 -1.335 17.740 -3.757 1.00 12.12 H new ATOM 0 HZ3 LYS A 27 -1.056 16.662 -5.038 1.00 12.12 H new ATOM 450 N ASP A 28 1.845 12.749 -3.691 1.00 14.50 N ATOM 451 CA ASP A 28 3.177 12.263 -3.334 1.00 11.15 C ATOM 452 C ASP A 28 3.203 11.785 -1.886 1.00 41.13 C ATOM 453 O ASP A 28 4.212 11.919 -1.186 1.00 3.53 O ATOM 454 CB ASP A 28 4.250 13.334 -3.587 1.00 53.50 C ATOM 455 CG ASP A 28 4.420 13.635 -5.069 1.00 42.13 C ATOM 456 OD1 ASP A 28 4.885 12.745 -5.814 1.00 13.22 O ATOM 457 OD2 ASP A 28 4.065 14.751 -5.505 1.00 43.01 O ATOM 0 H ASP A 28 1.444 12.288 -4.508 1.00 14.50 H new ATOM 0 HA ASP A 28 3.409 11.413 -3.976 1.00 11.15 H new ATOM 0 HB2 ASP A 28 3.979 14.249 -3.060 1.00 53.50 H new ATOM 0 HB3 ASP A 28 5.201 12.998 -3.174 1.00 53.50 H new ATOM 462 N GLY A 29 2.083 11.206 -1.458 1.00 73.21 N ATOM 463 CA GLY A 29 1.969 10.672 -0.114 1.00 5.11 C ATOM 464 C GLY A 29 2.794 9.417 0.077 1.00 32.35 C ATOM 465 O GLY A 29 3.025 8.980 1.206 1.00 13.33 O ATOM 0 H GLY A 29 1.244 11.097 -2.028 1.00 73.21 H new ATOM 0 HA2 GLY A 29 2.290 11.428 0.603 1.00 5.11 H new ATOM 0 HA3 GLY A 29 0.923 10.453 0.100 1.00 5.11 H new ATOM 469 N PHE A 30 3.232 8.830 -1.032 1.00 62.41 N ATOM 470 CA PHE A 30 4.088 7.653 -0.988 1.00 74.52 C ATOM 471 C PHE A 30 5.403 7.956 -0.274 1.00 53.45 C ATOM 472 O PHE A 30 6.083 8.934 -0.590 1.00 70.44 O ATOM 473 CB PHE A 30 4.379 7.137 -2.404 1.00 40.54 C ATOM 474 CG PHE A 30 5.467 6.091 -2.442 1.00 64.55 C ATOM 475 CD1 PHE A 30 5.229 4.810 -1.970 1.00 41.40 C ATOM 476 CD2 PHE A 30 6.733 6.401 -2.925 1.00 45.31 C ATOM 477 CE1 PHE A 30 6.227 3.857 -1.984 1.00 11.40 C ATOM 478 CE2 PHE A 30 7.735 5.453 -2.937 1.00 60.34 C ATOM 479 CZ PHE A 30 7.482 4.179 -2.467 1.00 44.01 C ATOM 0 H PHE A 30 3.007 9.152 -1.973 1.00 62.41 H new ATOM 0 HA PHE A 30 3.556 6.882 -0.431 1.00 74.52 H new ATOM 0 HB2 PHE A 30 3.466 6.718 -2.826 1.00 40.54 H new ATOM 0 HB3 PHE A 30 4.667 7.976 -3.038 1.00 40.54 H new ATOM 0 HD1 PHE A 30 4.252 4.555 -1.587 1.00 41.40 H new ATOM 0 HD2 PHE A 30 6.934 7.395 -3.295 1.00 45.31 H new ATOM 0 HE1 PHE A 30 6.028 2.861 -1.618 1.00 11.40 H new ATOM 0 HE2 PHE A 30 8.715 5.706 -3.313 1.00 60.34 H new ATOM 0 HZ PHE A 30 8.264 3.434 -2.477 1.00 44.01 H new ATOM 489 N ASN A 31 5.742 7.112 0.691 1.00 71.44 N ATOM 490 CA ASN A 31 7.030 7.165 1.365 1.00 34.30 C ATOM 491 C ASN A 31 7.362 5.772 1.888 1.00 20.24 C ATOM 492 O ASN A 31 6.549 5.159 2.588 1.00 22.44 O ATOM 493 CB ASN A 31 7.005 8.184 2.514 1.00 52.24 C ATOM 494 CG ASN A 31 8.382 8.422 3.122 1.00 40.31 C ATOM 495 OD1 ASN A 31 9.239 7.536 3.126 1.00 72.14 O ATOM 496 ND2 ASN A 31 8.608 9.621 3.638 1.00 30.43 N ATOM 0 H ASN A 31 5.129 6.370 1.029 1.00 71.44 H new ATOM 0 HA ASN A 31 7.797 7.487 0.661 1.00 34.30 H new ATOM 0 HB2 ASN A 31 6.607 9.130 2.146 1.00 52.24 H new ATOM 0 HB3 ASN A 31 6.326 7.833 3.291 1.00 52.24 H new ATOM 0 HD21 ASN A 31 9.514 9.834 4.055 1.00 30.43 H new ATOM 0 HD22 ASN A 31 7.876 10.331 3.618 1.00 30.43 H new ATOM 503 N GLU A 32 8.544 5.274 1.537 1.00 54.32 N ATOM 504 CA GLU A 32 8.929 3.902 1.856 1.00 40.44 C ATOM 505 C GLU A 32 8.876 3.649 3.361 1.00 2.34 C ATOM 506 O GLU A 32 8.368 2.619 3.803 1.00 1.25 O ATOM 507 CB GLU A 32 10.338 3.599 1.330 1.00 32.23 C ATOM 508 CG GLU A 32 10.718 2.124 1.415 1.00 21.42 C ATOM 509 CD GLU A 32 12.186 1.877 1.118 1.00 20.22 C ATOM 510 OE1 GLU A 32 12.594 2.005 -0.054 1.00 44.10 O ATOM 511 OE2 GLU A 32 12.944 1.555 2.058 1.00 42.21 O ATOM 0 H GLU A 32 9.254 5.802 1.030 1.00 54.32 H new ATOM 0 HA GLU A 32 8.215 3.239 1.368 1.00 40.44 H new ATOM 0 HB2 GLU A 32 10.407 3.924 0.292 1.00 32.23 H new ATOM 0 HB3 GLU A 32 11.062 4.185 1.896 1.00 32.23 H new ATOM 0 HG2 GLU A 32 10.486 1.751 2.412 1.00 21.42 H new ATOM 0 HG3 GLU A 32 10.109 1.555 0.712 1.00 21.42 H new ATOM 518 N GLU A 33 9.389 4.601 4.143 1.00 11.22 N ATOM 519 CA GLU A 33 9.454 4.445 5.595 1.00 21.31 C ATOM 520 C GLU A 33 8.054 4.241 6.171 1.00 73.32 C ATOM 521 O GLU A 33 7.847 3.389 7.033 1.00 42.44 O ATOM 522 CB GLU A 33 10.126 5.662 6.256 1.00 60.34 C ATOM 523 CG GLU A 33 9.310 6.947 6.175 1.00 14.03 C ATOM 524 CD GLU A 33 9.960 8.108 6.911 1.00 42.21 C ATOM 525 OE1 GLU A 33 9.713 8.261 8.125 1.00 43.53 O ATOM 526 OE2 GLU A 33 10.714 8.874 6.279 1.00 62.04 O ATOM 0 H GLU A 33 9.764 5.484 3.796 1.00 11.22 H new ATOM 0 HA GLU A 33 10.059 3.564 5.810 1.00 21.31 H new ATOM 0 HB2 GLU A 33 10.318 5.432 7.304 1.00 60.34 H new ATOM 0 HB3 GLU A 33 11.094 5.829 5.784 1.00 60.34 H new ATOM 0 HG2 GLU A 33 9.172 7.218 5.128 1.00 14.03 H new ATOM 0 HG3 GLU A 33 8.319 6.769 6.591 1.00 14.03 H new ATOM 533 N ALA A 34 7.094 5.007 5.661 1.00 22.23 N ATOM 534 CA ALA A 34 5.718 4.942 6.138 1.00 71.02 C ATOM 535 C ALA A 34 5.139 3.553 5.901 1.00 20.20 C ATOM 536 O ALA A 34 4.441 2.998 6.752 1.00 33.12 O ATOM 537 CB ALA A 34 4.870 6.004 5.448 1.00 3.15 C ATOM 0 H ALA A 34 7.246 5.684 4.913 1.00 22.23 H new ATOM 0 HA ALA A 34 5.709 5.137 7.210 1.00 71.02 H new ATOM 0 HB1 ALA A 34 3.845 5.945 5.813 1.00 3.15 H new ATOM 0 HB2 ALA A 34 5.276 6.992 5.666 1.00 3.15 H new ATOM 0 HB3 ALA A 34 4.882 5.836 4.371 1.00 3.15 H new ATOM 543 N PHE A 35 5.448 2.995 4.738 1.00 21.04 N ATOM 544 CA PHE A 35 4.998 1.658 4.378 1.00 21.35 C ATOM 545 C PHE A 35 5.641 0.604 5.280 1.00 71.10 C ATOM 546 O PHE A 35 4.947 -0.149 5.966 1.00 51.50 O ATOM 547 CB PHE A 35 5.324 1.375 2.900 1.00 42.12 C ATOM 548 CG PHE A 35 5.133 -0.068 2.489 1.00 11.14 C ATOM 549 CD1 PHE A 35 3.861 -0.598 2.313 1.00 21.21 C ATOM 550 CD2 PHE A 35 6.231 -0.898 2.279 1.00 34.45 C ATOM 551 CE1 PHE A 35 3.690 -1.917 1.937 1.00 15.32 C ATOM 552 CE2 PHE A 35 6.061 -2.217 1.904 1.00 43.22 C ATOM 553 CZ PHE A 35 4.790 -2.727 1.731 1.00 32.32 C ATOM 0 H PHE A 35 6.013 3.453 4.023 1.00 21.04 H new ATOM 0 HA PHE A 35 3.918 1.606 4.519 1.00 21.35 H new ATOM 0 HB2 PHE A 35 4.694 2.006 2.273 1.00 42.12 H new ATOM 0 HB3 PHE A 35 6.357 1.663 2.706 1.00 42.12 H new ATOM 0 HD1 PHE A 35 2.995 0.028 2.472 1.00 21.21 H new ATOM 0 HD2 PHE A 35 7.229 -0.506 2.411 1.00 34.45 H new ATOM 0 HE1 PHE A 35 2.695 -2.315 1.804 1.00 15.32 H new ATOM 0 HE2 PHE A 35 6.923 -2.849 1.746 1.00 43.22 H new ATOM 0 HZ PHE A 35 4.656 -3.757 1.435 1.00 32.32 H new ATOM 563 N LYS A 36 6.970 0.581 5.294 1.00 31.40 N ATOM 564 CA LYS A 36 7.721 -0.479 5.965 1.00 44.44 C ATOM 565 C LYS A 36 7.618 -0.379 7.489 1.00 12.21 C ATOM 566 O LYS A 36 7.876 -1.355 8.197 1.00 1.32 O ATOM 567 CB LYS A 36 9.186 -0.455 5.509 1.00 51.21 C ATOM 568 CG LYS A 36 9.957 0.801 5.900 1.00 54.43 C ATOM 569 CD LYS A 36 11.226 0.968 5.060 1.00 51.42 C ATOM 570 CE LYS A 36 12.152 -0.245 5.153 1.00 51.44 C ATOM 571 NZ LYS A 36 13.343 -0.105 4.270 1.00 55.12 N ATOM 0 H LYS A 36 7.553 1.288 4.846 1.00 31.40 H new ATOM 0 HA LYS A 36 7.278 -1.434 5.681 1.00 44.44 H new ATOM 0 HB2 LYS A 36 9.696 -1.323 5.927 1.00 51.21 H new ATOM 0 HB3 LYS A 36 9.216 -0.560 4.424 1.00 51.21 H new ATOM 0 HG2 LYS A 36 9.318 1.675 5.773 1.00 54.43 H new ATOM 0 HG3 LYS A 36 10.223 0.751 6.956 1.00 54.43 H new ATOM 0 HD2 LYS A 36 10.950 1.131 4.018 1.00 51.42 H new ATOM 0 HD3 LYS A 36 11.763 1.857 5.391 1.00 51.42 H new ATOM 0 HE2 LYS A 36 12.479 -0.374 6.185 1.00 51.44 H new ATOM 0 HE3 LYS A 36 11.601 -1.144 4.879 1.00 51.44 H new ATOM 0 HZ1 LYS A 36 13.707 -1.048 4.026 1.00 55.12 H new ATOM 0 HZ2 LYS A 36 13.073 0.398 3.401 1.00 55.12 H new ATOM 0 HZ3 LYS A 36 14.082 0.433 4.766 1.00 55.12 H new ATOM 585 N ALA A 37 7.243 0.793 7.996 1.00 14.24 N ATOM 586 CA ALA A 37 7.074 0.989 9.436 1.00 50.22 C ATOM 587 C ALA A 37 5.755 0.389 9.924 1.00 32.40 C ATOM 588 O ALA A 37 5.670 -0.118 11.047 1.00 0.11 O ATOM 589 CB ALA A 37 7.143 2.471 9.794 1.00 50.30 C ATOM 0 H ALA A 37 7.050 1.621 7.433 1.00 14.24 H new ATOM 0 HA ALA A 37 7.892 0.471 9.937 1.00 50.22 H new ATOM 0 HB1 ALA A 37 7.015 2.592 10.870 1.00 50.30 H new ATOM 0 HB2 ALA A 37 8.112 2.872 9.497 1.00 50.30 H new ATOM 0 HB3 ALA A 37 6.352 3.009 9.272 1.00 50.30 H new ATOM 595 N ARG A 38 4.725 0.447 9.077 1.00 2.13 N ATOM 596 CA ARG A 38 3.394 -0.058 9.437 1.00 43.41 C ATOM 597 C ARG A 38 3.195 -1.473 8.894 1.00 24.51 C ATOM 598 O ARG A 38 2.257 -2.172 9.284 1.00 62.55 O ATOM 599 CB ARG A 38 2.291 0.858 8.878 1.00 63.33 C ATOM 600 CG ARG A 38 2.479 2.339 9.187 1.00 33.31 C ATOM 601 CD ARG A 38 2.499 2.633 10.682 1.00 2.22 C ATOM 602 NE ARG A 38 2.653 4.070 10.944 1.00 32.11 N ATOM 603 CZ ARG A 38 3.512 4.589 11.826 1.00 60.54 C ATOM 604 NH1 ARG A 38 4.262 3.796 12.582 1.00 40.50 N ATOM 605 NH2 ARG A 38 3.615 5.908 11.958 1.00 2.41 N ATOM 0 H ARG A 38 4.785 0.838 8.137 1.00 2.13 H new ATOM 0 HA ARG A 38 3.327 -0.073 10.525 1.00 43.41 H new ATOM 0 HB2 ARG A 38 2.243 0.729 7.797 1.00 63.33 H new ATOM 0 HB3 ARG A 38 1.331 0.535 9.280 1.00 63.33 H new ATOM 0 HG2 ARG A 38 3.412 2.683 8.741 1.00 33.31 H new ATOM 0 HG3 ARG A 38 1.675 2.908 8.720 1.00 33.31 H new ATOM 0 HD2 ARG A 38 1.575 2.276 11.137 1.00 2.22 H new ATOM 0 HD3 ARG A 38 3.317 2.086 11.151 1.00 2.22 H new ATOM 0 HE ARG A 38 2.064 4.715 10.417 1.00 32.11 H new ATOM 0 HH11 ARG A 38 4.185 2.783 12.492 1.00 40.50 H new ATOM 0 HH12 ARG A 38 4.915 4.200 13.253 1.00 40.50 H new ATOM 0 HH21 ARG A 38 3.038 6.524 11.386 1.00 2.41 H new ATOM 0 HH22 ARG A 38 4.271 6.303 12.632 1.00 2.41 H new ATOM 619 N TYR A 39 4.085 -1.886 7.996 1.00 20.32 N ATOM 620 CA TYR A 39 3.959 -3.166 7.295 1.00 21.40 C ATOM 621 C TYR A 39 3.920 -4.351 8.266 1.00 50.03 C ATOM 622 O TYR A 39 4.652 -4.388 9.259 1.00 25.10 O ATOM 623 CB TYR A 39 5.113 -3.334 6.297 1.00 34.33 C ATOM 624 CG TYR A 39 5.006 -4.573 5.419 1.00 31.24 C ATOM 625 CD1 TYR A 39 3.908 -4.764 4.584 1.00 64.53 C ATOM 626 CD2 TYR A 39 6.002 -5.546 5.424 1.00 72.31 C ATOM 627 CE1 TYR A 39 3.805 -5.886 3.784 1.00 4.22 C ATOM 628 CE2 TYR A 39 5.906 -6.671 4.623 1.00 23.13 C ATOM 629 CZ TYR A 39 4.807 -6.835 3.806 1.00 51.03 C ATOM 630 OH TYR A 39 4.709 -7.950 3.003 1.00 71.22 O ATOM 0 H TYR A 39 4.911 -1.348 7.733 1.00 20.32 H new ATOM 0 HA TYR A 39 3.012 -3.156 6.756 1.00 21.40 H new ATOM 0 HB2 TYR A 39 5.156 -2.452 5.657 1.00 34.33 H new ATOM 0 HB3 TYR A 39 6.052 -3.374 6.849 1.00 34.33 H new ATOM 0 HD1 TYR A 39 3.123 -4.022 4.561 1.00 64.53 H new ATOM 0 HD2 TYR A 39 6.863 -5.421 6.063 1.00 72.31 H new ATOM 0 HE1 TYR A 39 2.945 -6.020 3.145 1.00 4.22 H new ATOM 0 HE2 TYR A 39 6.688 -7.416 4.638 1.00 23.13 H new ATOM 0 HH TYR A 39 5.496 -8.519 3.136 1.00 71.22 H new ATOM 640 N SER A 40 3.051 -5.315 7.966 1.00 12.12 N ATOM 641 CA SER A 40 2.924 -6.538 8.749 1.00 33.11 C ATOM 642 C SER A 40 2.817 -7.732 7.797 1.00 21.24 C ATOM 643 O SER A 40 2.256 -7.604 6.707 1.00 24.42 O ATOM 644 CB SER A 40 1.689 -6.449 9.655 1.00 24.22 C ATOM 645 OG SER A 40 1.711 -5.258 10.427 1.00 54.44 O ATOM 0 H SER A 40 2.414 -5.267 7.170 1.00 12.12 H new ATOM 0 HA SER A 40 3.802 -6.668 9.382 1.00 33.11 H new ATOM 0 HB2 SER A 40 0.785 -6.476 9.047 1.00 24.22 H new ATOM 0 HB3 SER A 40 1.655 -7.315 10.316 1.00 24.22 H new ATOM 0 HG SER A 40 0.914 -5.222 10.996 1.00 54.44 H new ATOM 651 N ASP A 41 3.361 -8.878 8.203 1.00 13.33 N ATOM 652 CA ASP A 41 3.397 -10.070 7.347 1.00 72.34 C ATOM 653 C ASP A 41 1.992 -10.511 6.942 1.00 21.31 C ATOM 654 O ASP A 41 1.778 -10.979 5.823 1.00 3.13 O ATOM 655 CB ASP A 41 4.118 -11.220 8.062 1.00 62.12 C ATOM 656 CG ASP A 41 4.143 -12.493 7.228 1.00 50.41 C ATOM 657 OD1 ASP A 41 4.932 -12.565 6.261 1.00 61.21 O ATOM 658 OD2 ASP A 41 3.376 -13.434 7.537 1.00 12.14 O ATOM 0 H ASP A 41 3.785 -9.010 9.121 1.00 13.33 H new ATOM 0 HA ASP A 41 3.945 -9.809 6.442 1.00 72.34 H new ATOM 0 HB2 ASP A 41 5.140 -10.918 8.291 1.00 62.12 H new ATOM 0 HB3 ASP A 41 3.624 -11.421 9.013 1.00 62.12 H new ATOM 663 N ILE A 42 1.039 -10.345 7.851 1.00 32.34 N ATOM 664 CA ILE A 42 -0.353 -10.722 7.600 1.00 3.22 C ATOM 665 C ILE A 42 -0.906 -9.985 6.374 1.00 35.24 C ATOM 666 O ILE A 42 -1.790 -10.489 5.673 1.00 52.20 O ATOM 667 CB ILE A 42 -1.245 -10.423 8.840 1.00 63.12 C ATOM 668 CG1 ILE A 42 -2.693 -10.900 8.613 1.00 13.33 C ATOM 669 CG2 ILE A 42 -1.216 -8.933 9.180 1.00 52.40 C ATOM 670 CD1 ILE A 42 -2.821 -12.397 8.416 1.00 61.30 C ATOM 0 H ILE A 42 1.203 -9.949 8.776 1.00 32.34 H new ATOM 0 HA ILE A 42 -0.373 -11.794 7.405 1.00 3.22 H new ATOM 0 HB ILE A 42 -0.838 -10.978 9.686 1.00 63.12 H new ATOM 0 HG12 ILE A 42 -3.302 -10.602 9.467 1.00 13.33 H new ATOM 0 HG13 ILE A 42 -3.100 -10.392 7.739 1.00 13.33 H new ATOM 0 HG21 ILE A 42 -1.846 -8.746 10.050 1.00 52.40 H new ATOM 0 HG22 ILE A 42 -0.193 -8.630 9.401 1.00 52.40 H new ATOM 0 HG23 ILE A 42 -1.589 -8.359 8.332 1.00 52.40 H new ATOM 0 HD11 ILE A 42 -3.869 -12.655 8.262 1.00 61.30 H new ATOM 0 HD12 ILE A 42 -2.241 -12.700 7.544 1.00 61.30 H new ATOM 0 HD13 ILE A 42 -2.446 -12.914 9.299 1.00 61.30 H new ATOM 682 N LEU A 43 -0.356 -8.807 6.104 1.00 4.11 N ATOM 683 CA LEU A 43 -0.822 -7.964 5.006 1.00 74.14 C ATOM 684 C LEU A 43 -0.286 -8.465 3.662 1.00 11.30 C ATOM 685 O LEU A 43 -0.840 -8.155 2.606 1.00 21.11 O ATOM 686 CB LEU A 43 -0.382 -6.512 5.249 1.00 5.14 C ATOM 687 CG LEU A 43 -0.898 -5.874 6.554 1.00 53.32 C ATOM 688 CD1 LEU A 43 -0.319 -4.473 6.738 1.00 14.21 C ATOM 689 CD2 LEU A 43 -2.426 -5.832 6.570 1.00 72.32 C ATOM 0 H LEU A 43 0.420 -8.410 6.634 1.00 4.11 H new ATOM 0 HA LEU A 43 -1.910 -8.010 4.969 1.00 74.14 H new ATOM 0 HB2 LEU A 43 0.707 -6.476 5.253 1.00 5.14 H new ATOM 0 HB3 LEU A 43 -0.718 -5.903 4.409 1.00 5.14 H new ATOM 0 HG LEU A 43 -0.565 -6.493 7.388 1.00 53.32 H new ATOM 0 HD11 LEU A 43 -0.697 -4.042 7.665 1.00 14.21 H new ATOM 0 HD12 LEU A 43 0.769 -4.532 6.782 1.00 14.21 H new ATOM 0 HD13 LEU A 43 -0.615 -3.844 5.899 1.00 14.21 H new ATOM 0 HD21 LEU A 43 -2.768 -5.378 7.500 1.00 72.32 H new ATOM 0 HD22 LEU A 43 -2.783 -5.242 5.726 1.00 72.32 H new ATOM 0 HD23 LEU A 43 -2.819 -6.846 6.496 1.00 72.32 H new ATOM 701 N ASN A 44 0.777 -9.262 3.715 1.00 72.22 N ATOM 702 CA ASN A 44 1.464 -9.736 2.512 1.00 62.44 C ATOM 703 C ASN A 44 0.513 -10.535 1.612 1.00 75.21 C ATOM 704 O ASN A 44 0.555 -10.409 0.389 1.00 13.24 O ATOM 705 CB ASN A 44 2.676 -10.596 2.926 1.00 23.22 C ATOM 706 CG ASN A 44 3.701 -10.857 1.818 1.00 60.30 C ATOM 707 OD1 ASN A 44 4.902 -10.906 2.093 1.00 12.05 O ATOM 708 ND2 ASN A 44 3.259 -11.064 0.582 1.00 72.05 N ATOM 0 H ASN A 44 1.187 -9.598 4.587 1.00 72.22 H new ATOM 0 HA ASN A 44 1.810 -8.876 1.939 1.00 62.44 H new ATOM 0 HB2 ASN A 44 3.181 -10.106 3.758 1.00 23.22 H new ATOM 0 HB3 ASN A 44 2.312 -11.555 3.295 1.00 23.22 H new ATOM 0 HD21 ASN A 44 3.919 -11.270 -0.168 1.00 72.05 H new ATOM 0 HD22 ASN A 44 2.260 -11.017 0.383 1.00 72.05 H new ATOM 715 N LYS A 45 -0.367 -11.331 2.225 1.00 12.31 N ATOM 716 CA LYS A 45 -1.225 -12.254 1.473 1.00 5.23 C ATOM 717 C LYS A 45 -2.209 -11.521 0.559 1.00 4.32 C ATOM 718 O LYS A 45 -2.713 -12.103 -0.403 1.00 52.01 O ATOM 719 CB LYS A 45 -2.014 -13.178 2.413 1.00 23.44 C ATOM 720 CG LYS A 45 -3.031 -12.454 3.297 1.00 2.43 C ATOM 721 CD LYS A 45 -4.221 -13.352 3.635 1.00 43.53 C ATOM 722 CE LYS A 45 -5.160 -12.704 4.643 1.00 3.01 C ATOM 723 NZ LYS A 45 -6.341 -13.564 4.935 1.00 33.33 N ATOM 0 H LYS A 45 -0.505 -11.356 3.235 1.00 12.31 H new ATOM 0 HA LYS A 45 -0.553 -12.849 0.854 1.00 5.23 H new ATOM 0 HB2 LYS A 45 -2.536 -13.925 1.815 1.00 23.44 H new ATOM 0 HB3 LYS A 45 -1.311 -13.714 3.051 1.00 23.44 H new ATOM 0 HG2 LYS A 45 -2.547 -12.128 4.218 1.00 2.43 H new ATOM 0 HG3 LYS A 45 -3.384 -11.557 2.788 1.00 2.43 H new ATOM 0 HD2 LYS A 45 -4.772 -13.582 2.723 1.00 43.53 H new ATOM 0 HD3 LYS A 45 -3.858 -14.299 4.035 1.00 43.53 H new ATOM 0 HE2 LYS A 45 -4.618 -12.505 5.568 1.00 3.01 H new ATOM 0 HE3 LYS A 45 -5.498 -11.742 4.258 1.00 3.01 H new ATOM 0 HZ1 LYS A 45 -6.955 -13.087 5.625 1.00 33.33 H new ATOM 0 HZ2 LYS A 45 -6.873 -13.733 4.057 1.00 33.33 H new ATOM 0 HZ3 LYS A 45 -6.020 -14.473 5.326 1.00 33.33 H new ATOM 737 N TYR A 46 -2.489 -10.258 0.864 1.00 43.33 N ATOM 738 CA TYR A 46 -3.470 -9.486 0.102 1.00 71.44 C ATOM 739 C TYR A 46 -2.944 -9.165 -1.296 1.00 53.03 C ATOM 740 O TYR A 46 -3.720 -9.015 -2.243 1.00 33.30 O ATOM 741 CB TYR A 46 -3.825 -8.194 0.849 1.00 55.51 C ATOM 742 CG TYR A 46 -4.595 -8.424 2.138 1.00 32.52 C ATOM 743 CD1 TYR A 46 -5.976 -8.592 2.122 1.00 24.43 C ATOM 744 CD2 TYR A 46 -3.946 -8.471 3.366 1.00 14.15 C ATOM 745 CE1 TYR A 46 -6.685 -8.802 3.289 1.00 72.41 C ATOM 746 CE2 TYR A 46 -4.649 -8.681 4.538 1.00 63.32 C ATOM 747 CZ TYR A 46 -6.017 -8.846 4.493 1.00 15.11 C ATOM 748 OH TYR A 46 -6.720 -9.058 5.660 1.00 14.14 O ATOM 0 H TYR A 46 -2.053 -9.746 1.631 1.00 43.33 H new ATOM 0 HA TYR A 46 -4.371 -10.089 -0.005 1.00 71.44 H new ATOM 0 HB2 TYR A 46 -2.907 -7.653 1.077 1.00 55.51 H new ATOM 0 HB3 TYR A 46 -4.416 -7.556 0.192 1.00 55.51 H new ATOM 0 HD1 TYR A 46 -6.503 -8.558 1.180 1.00 24.43 H new ATOM 0 HD2 TYR A 46 -2.875 -8.341 3.406 1.00 14.15 H new ATOM 0 HE1 TYR A 46 -7.757 -8.931 3.258 1.00 72.41 H new ATOM 0 HE2 TYR A 46 -4.129 -8.716 5.484 1.00 63.32 H new ATOM 0 HH TYR A 46 -6.100 -9.062 6.419 1.00 14.14 H new ATOM 758 N ASP A 47 -1.618 -9.064 -1.408 1.00 3.54 N ATOM 759 CA ASP A 47 -0.941 -8.726 -2.669 1.00 3.14 C ATOM 760 C ASP A 47 -1.246 -7.285 -3.108 1.00 21.24 C ATOM 761 O ASP A 47 -0.771 -6.833 -4.151 1.00 15.02 O ATOM 762 CB ASP A 47 -1.307 -9.718 -3.796 1.00 32.11 C ATOM 763 CG ASP A 47 -0.893 -11.158 -3.502 1.00 52.33 C ATOM 764 OD1 ASP A 47 0.232 -11.381 -2.997 1.00 31.04 O ATOM 765 OD2 ASP A 47 -1.688 -12.079 -3.783 1.00 3.53 O ATOM 0 H ASP A 47 -0.979 -9.214 -0.627 1.00 3.54 H new ATOM 0 HA ASP A 47 0.130 -8.805 -2.481 1.00 3.14 H new ATOM 0 HB2 ASP A 47 -2.384 -9.685 -3.962 1.00 32.11 H new ATOM 0 HB3 ASP A 47 -0.832 -9.394 -4.722 1.00 32.11 H new ATOM 770 N TYR A 48 -2.026 -6.568 -2.302 1.00 3.34 N ATOM 771 CA TYR A 48 -2.331 -5.157 -2.539 1.00 41.41 C ATOM 772 C TYR A 48 -2.372 -4.414 -1.207 1.00 34.21 C ATOM 773 O TYR A 48 -3.203 -4.715 -0.346 1.00 60.02 O ATOM 774 CB TYR A 48 -3.675 -4.989 -3.268 1.00 14.14 C ATOM 775 CG TYR A 48 -3.608 -5.201 -4.771 1.00 15.32 C ATOM 776 CD1 TYR A 48 -3.752 -6.464 -5.329 1.00 45.41 C ATOM 777 CD2 TYR A 48 -3.418 -4.123 -5.629 1.00 13.35 C ATOM 778 CE1 TYR A 48 -3.706 -6.648 -6.698 1.00 2.41 C ATOM 779 CE2 TYR A 48 -3.374 -4.297 -6.998 1.00 13.23 C ATOM 780 CZ TYR A 48 -3.518 -5.560 -7.530 1.00 43.13 C ATOM 781 OH TYR A 48 -3.471 -5.733 -8.898 1.00 34.52 O ATOM 0 H TYR A 48 -2.466 -6.949 -1.464 1.00 3.34 H new ATOM 0 HA TYR A 48 -1.548 -4.741 -3.173 1.00 41.41 H new ATOM 0 HB2 TYR A 48 -4.393 -5.693 -2.846 1.00 14.14 H new ATOM 0 HB3 TYR A 48 -4.057 -3.987 -3.072 1.00 14.14 H new ATOM 0 HD1 TYR A 48 -3.902 -7.316 -4.683 1.00 45.41 H new ATOM 0 HD2 TYR A 48 -3.303 -3.131 -5.217 1.00 13.35 H new ATOM 0 HE1 TYR A 48 -3.816 -7.638 -7.116 1.00 2.41 H new ATOM 0 HE2 TYR A 48 -3.227 -3.448 -7.649 1.00 13.23 H new ATOM 0 HH TYR A 48 -3.302 -4.870 -9.331 1.00 34.52 H new ATOM 791 N ILE A 49 -1.471 -3.453 -1.041 1.00 41.04 N ATOM 792 CA ILE A 49 -1.373 -2.683 0.195 1.00 61.23 C ATOM 793 C ILE A 49 -1.604 -1.202 -0.085 1.00 31.54 C ATOM 794 O ILE A 49 -0.853 -0.582 -0.839 1.00 13.32 O ATOM 795 CB ILE A 49 0.013 -2.858 0.867 1.00 14.41 C ATOM 796 CG1 ILE A 49 0.299 -4.345 1.145 1.00 11.55 C ATOM 797 CG2 ILE A 49 0.093 -2.041 2.159 1.00 3.43 C ATOM 798 CD1 ILE A 49 -0.724 -5.003 2.047 1.00 2.14 C ATOM 0 H ILE A 49 -0.792 -3.186 -1.753 1.00 41.04 H new ATOM 0 HA ILE A 49 -2.140 -3.059 0.873 1.00 61.23 H new ATOM 0 HB ILE A 49 0.775 -2.487 0.181 1.00 14.41 H new ATOM 0 HG12 ILE A 49 0.334 -4.883 0.197 1.00 11.55 H new ATOM 0 HG13 ILE A 49 1.285 -4.437 1.601 1.00 11.55 H new ATOM 0 HG21 ILE A 49 1.073 -2.177 2.616 1.00 3.43 H new ATOM 0 HG22 ILE A 49 -0.058 -0.986 1.932 1.00 3.43 H new ATOM 0 HG23 ILE A 49 -0.679 -2.378 2.851 1.00 3.43 H new ATOM 0 HD11 ILE A 49 -0.457 -6.049 2.198 1.00 2.14 H new ATOM 0 HD12 ILE A 49 -0.744 -4.491 3.009 1.00 2.14 H new ATOM 0 HD13 ILE A 49 -1.709 -4.943 1.584 1.00 2.14 H new ATOM 810 N VAL A 50 -2.643 -0.644 0.523 1.00 51.21 N ATOM 811 CA VAL A 50 -2.974 0.767 0.354 1.00 21.43 C ATOM 812 C VAL A 50 -2.726 1.532 1.649 1.00 13.45 C ATOM 813 O VAL A 50 -3.343 1.242 2.675 1.00 60.51 O ATOM 814 CB VAL A 50 -4.452 0.950 -0.065 1.00 43.03 C ATOM 815 CG1 VAL A 50 -4.796 2.433 -0.215 1.00 61.20 C ATOM 816 CG2 VAL A 50 -4.739 0.189 -1.356 1.00 1.42 C ATOM 0 H VAL A 50 -3.276 -1.151 1.142 1.00 51.21 H new ATOM 0 HA VAL A 50 -2.332 1.161 -0.434 1.00 21.43 H new ATOM 0 HB VAL A 50 -5.085 0.539 0.721 1.00 43.03 H new ATOM 0 HG11 VAL A 50 -5.840 2.536 -0.510 1.00 61.20 H new ATOM 0 HG12 VAL A 50 -4.636 2.942 0.736 1.00 61.20 H new ATOM 0 HG13 VAL A 50 -4.158 2.879 -0.978 1.00 61.20 H new ATOM 0 HG21 VAL A 50 -5.783 0.329 -1.636 1.00 1.42 H new ATOM 0 HG22 VAL A 50 -4.096 0.566 -2.151 1.00 1.42 H new ATOM 0 HG23 VAL A 50 -4.543 -0.872 -1.204 1.00 1.42 H new ATOM 826 N GLY A 51 -1.816 2.494 1.603 1.00 41.24 N ATOM 827 CA GLY A 51 -1.558 3.333 2.756 1.00 55.12 C ATOM 828 C GLY A 51 -2.427 4.573 2.745 1.00 2.30 C ATOM 829 O GLY A 51 -2.358 5.371 1.804 1.00 73.21 O ATOM 0 H GLY A 51 -1.249 2.710 0.783 1.00 41.24 H new ATOM 0 HA2 GLY A 51 -1.743 2.766 3.669 1.00 55.12 H new ATOM 0 HA3 GLY A 51 -0.508 3.624 2.768 1.00 55.12 H new ATOM 833 N ASP A 52 -3.237 4.735 3.788 1.00 4.42 N ATOM 834 CA ASP A 52 -4.147 5.874 3.902 1.00 61.22 C ATOM 835 C ASP A 52 -3.619 6.860 4.932 1.00 71.40 C ATOM 836 O ASP A 52 -3.384 6.490 6.087 1.00 74.21 O ATOM 837 CB ASP A 52 -5.557 5.400 4.312 1.00 74.21 C ATOM 838 CG ASP A 52 -6.580 6.536 4.381 1.00 62.10 C ATOM 839 OD1 ASP A 52 -7.227 6.816 3.348 1.00 4.10 O ATOM 840 OD2 ASP A 52 -6.748 7.142 5.469 1.00 23.50 O ATOM 0 H ASP A 52 -3.282 4.086 4.574 1.00 4.42 H new ATOM 0 HA ASP A 52 -4.210 6.365 2.931 1.00 61.22 H new ATOM 0 HB2 ASP A 52 -5.903 4.651 3.599 1.00 74.21 H new ATOM 0 HB3 ASP A 52 -5.500 4.912 5.285 1.00 74.21 H new ATOM 845 N TRP A 53 -3.394 8.098 4.504 1.00 44.04 N ATOM 846 CA TRP A 53 -3.032 9.164 5.426 1.00 2.10 C ATOM 847 C TRP A 53 -4.301 9.749 6.033 1.00 52.15 C ATOM 848 O TRP A 53 -4.500 9.701 7.248 1.00 44.12 O ATOM 849 CB TRP A 53 -2.222 10.258 4.710 1.00 11.35 C ATOM 850 CG TRP A 53 -0.866 9.804 4.239 1.00 0.43 C ATOM 851 CD1 TRP A 53 -0.566 9.169 3.065 1.00 20.33 C ATOM 852 CD2 TRP A 53 0.378 9.956 4.936 1.00 71.34 C ATOM 853 NE1 TRP A 53 0.784 8.925 2.991 1.00 12.54 N ATOM 854 CE2 TRP A 53 1.382 9.395 4.127 1.00 41.43 C ATOM 855 CE3 TRP A 53 0.737 10.513 6.165 1.00 21.24 C ATOM 856 CZ2 TRP A 53 2.721 9.372 4.506 1.00 73.00 C ATOM 857 CZ3 TRP A 53 2.067 10.491 6.541 1.00 44.22 C ATOM 858 CH2 TRP A 53 3.044 9.924 5.715 1.00 35.05 C ATOM 0 H TRP A 53 -3.456 8.385 3.527 1.00 44.04 H new ATOM 0 HA TRP A 53 -2.405 8.754 6.218 1.00 2.10 H new ATOM 0 HB2 TRP A 53 -2.792 10.616 3.853 1.00 11.35 H new ATOM 0 HB3 TRP A 53 -2.097 11.104 5.386 1.00 11.35 H new ATOM 0 HD1 TRP A 53 -1.286 8.899 2.307 1.00 20.33 H new ATOM 0 HE1 TRP A 53 1.262 8.468 2.215 1.00 12.54 H new ATOM 0 HE3 TRP A 53 -0.010 10.953 6.809 1.00 21.24 H new ATOM 0 HZ2 TRP A 53 3.476 8.935 3.870 1.00 73.00 H new ATOM 0 HZ3 TRP A 53 2.357 10.919 7.489 1.00 44.22 H new ATOM 0 HH2 TRP A 53 4.074 9.922 6.039 1.00 35.05 H new ATOM 869 N GLY A 54 -5.160 10.286 5.162 1.00 54.40 N ATOM 870 CA GLY A 54 -6.445 10.829 5.578 1.00 74.22 C ATOM 871 C GLY A 54 -6.342 11.801 6.741 1.00 15.32 C ATOM 872 O GLY A 54 -6.034 12.978 6.553 1.00 13.33 O ATOM 0 H GLY A 54 -4.982 10.354 4.160 1.00 54.40 H new ATOM 0 HA2 GLY A 54 -6.908 11.335 4.731 1.00 74.22 H new ATOM 0 HA3 GLY A 54 -7.105 10.008 5.858 1.00 74.22 H new ATOM 876 N TYR A 55 -6.577 11.295 7.948 1.00 0.23 N ATOM 877 CA TYR A 55 -6.554 12.107 9.167 1.00 15.53 C ATOM 878 C TYR A 55 -5.117 12.282 9.684 1.00 42.23 C ATOM 879 O TYR A 55 -4.886 12.868 10.744 1.00 32.01 O ATOM 880 CB TYR A 55 -7.443 11.444 10.235 1.00 13.51 C ATOM 881 CG TYR A 55 -7.613 12.255 11.508 1.00 42.41 C ATOM 882 CD1 TYR A 55 -8.294 13.469 11.496 1.00 52.22 C ATOM 883 CD2 TYR A 55 -7.095 11.809 12.722 1.00 61.40 C ATOM 884 CE1 TYR A 55 -8.452 14.211 12.651 1.00 74.04 C ATOM 885 CE2 TYR A 55 -7.251 12.547 13.881 1.00 21.12 C ATOM 886 CZ TYR A 55 -7.931 13.748 13.838 1.00 35.35 C ATOM 887 OH TYR A 55 -8.088 14.489 14.991 1.00 54.34 O ATOM 0 H TYR A 55 -6.789 10.311 8.112 1.00 0.23 H new ATOM 0 HA TYR A 55 -6.943 13.100 8.942 1.00 15.53 H new ATOM 0 HB2 TYR A 55 -8.427 11.257 9.805 1.00 13.51 H new ATOM 0 HB3 TYR A 55 -7.018 10.474 10.492 1.00 13.51 H new ATOM 0 HD1 TYR A 55 -8.706 13.837 10.568 1.00 52.22 H new ATOM 0 HD2 TYR A 55 -6.562 10.870 12.759 1.00 61.40 H new ATOM 0 HE1 TYR A 55 -8.983 15.151 12.622 1.00 74.04 H new ATOM 0 HE2 TYR A 55 -6.844 12.186 14.814 1.00 21.12 H new ATOM 0 HH TYR A 55 -7.663 14.022 15.740 1.00 54.34 H new ATOM 897 N GLY A 56 -4.152 11.788 8.916 1.00 35.10 N ATOM 898 CA GLY A 56 -2.756 11.852 9.321 1.00 63.33 C ATOM 899 C GLY A 56 -2.301 10.567 9.988 1.00 71.23 C ATOM 900 O GLY A 56 -1.171 10.466 10.470 1.00 44.43 O ATOM 0 H GLY A 56 -4.312 11.341 8.013 1.00 35.10 H new ATOM 0 HA2 GLY A 56 -2.133 12.048 8.448 1.00 63.33 H new ATOM 0 HA3 GLY A 56 -2.615 12.687 10.007 1.00 63.33 H new ATOM 904 N GLN A 57 -3.190 9.580 10.009 1.00 60.31 N ATOM 905 CA GLN A 57 -2.911 8.285 10.624 1.00 12.54 C ATOM 906 C GLN A 57 -2.563 7.264 9.547 1.00 53.45 C ATOM 907 O GLN A 57 -3.420 6.485 9.118 1.00 22.10 O ATOM 908 CB GLN A 57 -4.121 7.802 11.435 1.00 63.42 C ATOM 909 CG GLN A 57 -4.503 8.718 12.595 1.00 44.14 C ATOM 910 CD GLN A 57 -5.787 8.284 13.280 1.00 32.15 C ATOM 911 OE1 GLN A 57 -6.679 7.724 12.646 1.00 13.31 O ATOM 912 NE2 GLN A 57 -5.891 8.530 14.575 1.00 60.53 N ATOM 0 H GLN A 57 -4.122 9.653 9.602 1.00 60.31 H new ATOM 0 HA GLN A 57 -2.063 8.395 11.300 1.00 12.54 H new ATOM 0 HB2 GLN A 57 -4.977 7.705 10.767 1.00 63.42 H new ATOM 0 HB3 GLN A 57 -3.908 6.808 11.827 1.00 63.42 H new ATOM 0 HG2 GLN A 57 -3.693 8.733 13.324 1.00 44.14 H new ATOM 0 HG3 GLN A 57 -4.618 9.737 12.226 1.00 44.14 H new ATOM 0 HE21 GLN A 57 -5.130 8.997 15.068 1.00 60.53 H new ATOM 0 HE22 GLN A 57 -6.732 8.253 15.081 1.00 60.53 H new ATOM 921 N LEU A 58 -1.310 7.294 9.095 1.00 61.11 N ATOM 922 CA LEU A 58 -0.855 6.400 8.038 1.00 65.42 C ATOM 923 C LEU A 58 -0.975 4.950 8.496 1.00 33.31 C ATOM 924 O LEU A 58 -0.223 4.494 9.365 1.00 44.12 O ATOM 925 CB LEU A 58 0.593 6.735 7.622 1.00 41.22 C ATOM 926 CG LEU A 58 1.102 6.069 6.321 1.00 4.21 C ATOM 927 CD1 LEU A 58 1.454 4.595 6.533 1.00 10.31 C ATOM 928 CD2 LEU A 58 0.067 6.217 5.206 1.00 44.01 C ATOM 0 H LEU A 58 -0.593 7.929 9.446 1.00 61.11 H new ATOM 0 HA LEU A 58 -1.489 6.539 7.162 1.00 65.42 H new ATOM 0 HB2 LEU A 58 0.675 7.816 7.508 1.00 41.22 H new ATOM 0 HB3 LEU A 58 1.258 6.449 8.436 1.00 41.22 H new ATOM 0 HG LEU A 58 2.017 6.583 6.027 1.00 4.21 H new ATOM 0 HD11 LEU A 58 1.807 4.167 5.595 1.00 10.31 H new ATOM 0 HD12 LEU A 58 2.237 4.513 7.287 1.00 10.31 H new ATOM 0 HD13 LEU A 58 0.569 4.054 6.869 1.00 10.31 H new ATOM 0 HD21 LEU A 58 0.440 5.743 4.298 1.00 44.01 H new ATOM 0 HD22 LEU A 58 -0.864 5.738 5.508 1.00 44.01 H new ATOM 0 HD23 LEU A 58 -0.114 7.275 5.015 1.00 44.01 H new ATOM 940 N ARG A 59 -1.946 4.254 7.926 1.00 24.22 N ATOM 941 CA ARG A 59 -2.184 2.842 8.202 1.00 51.21 C ATOM 942 C ARG A 59 -2.325 2.091 6.884 1.00 51.42 C ATOM 943 O ARG A 59 -2.629 2.698 5.852 1.00 10.23 O ATOM 944 CB ARG A 59 -3.450 2.681 9.054 1.00 24.31 C ATOM 945 CG ARG A 59 -3.319 3.268 10.459 1.00 43.02 C ATOM 946 CD ARG A 59 -4.677 3.580 11.074 1.00 72.43 C ATOM 947 NE ARG A 59 -5.391 4.607 10.305 1.00 71.22 N ATOM 948 CZ ARG A 59 -6.709 4.810 10.361 1.00 4.04 C ATOM 949 NH1 ARG A 59 -7.465 4.056 11.146 1.00 13.11 N ATOM 950 NH2 ARG A 59 -7.269 5.764 9.626 1.00 32.41 N ATOM 0 H ARG A 59 -2.598 4.655 7.252 1.00 24.22 H new ATOM 0 HA ARG A 59 -1.343 2.429 8.759 1.00 51.21 H new ATOM 0 HB2 ARG A 59 -4.285 3.162 8.544 1.00 24.31 H new ATOM 0 HB3 ARG A 59 -3.693 1.621 9.133 1.00 24.31 H new ATOM 0 HG2 ARG A 59 -2.784 2.565 11.098 1.00 43.02 H new ATOM 0 HG3 ARG A 59 -2.722 4.179 10.418 1.00 43.02 H new ATOM 0 HD2 ARG A 59 -5.277 2.671 11.114 1.00 72.43 H new ATOM 0 HD3 ARG A 59 -4.543 3.920 12.101 1.00 72.43 H new ATOM 0 HE ARG A 59 -4.843 5.205 9.687 1.00 71.22 H new ATOM 0 HH11 ARG A 59 -7.040 3.319 11.709 1.00 13.11 H new ATOM 0 HH12 ARG A 59 -8.472 4.213 11.188 1.00 13.11 H new ATOM 0 HH21 ARG A 59 -6.692 6.344 9.017 1.00 32.41 H new ATOM 0 HH22 ARG A 59 -8.276 5.917 9.671 1.00 32.41 H new ATOM 964 N LEU A 60 -2.102 0.784 6.910 1.00 63.12 N ATOM 965 CA LEU A 60 -2.126 -0.023 5.694 1.00 14.24 C ATOM 966 C LEU A 60 -3.396 -0.869 5.617 1.00 4.54 C ATOM 967 O LEU A 60 -3.652 -1.713 6.479 1.00 41.31 O ATOM 968 CB LEU A 60 -0.883 -0.922 5.623 1.00 64.25 C ATOM 969 CG LEU A 60 0.466 -0.182 5.634 1.00 21.04 C ATOM 970 CD1 LEU A 60 1.628 -1.167 5.514 1.00 63.15 C ATOM 971 CD2 LEU A 60 0.527 0.867 4.523 1.00 15.52 C ATOM 0 H LEU A 60 -1.902 0.258 7.761 1.00 63.12 H new ATOM 0 HA LEU A 60 -2.120 0.656 4.841 1.00 14.24 H new ATOM 0 HB2 LEU A 60 -0.906 -1.613 6.466 1.00 64.25 H new ATOM 0 HB3 LEU A 60 -0.941 -1.523 4.716 1.00 64.25 H new ATOM 0 HG LEU A 60 0.556 0.335 6.589 1.00 21.04 H new ATOM 0 HD11 LEU A 60 2.571 -0.620 5.524 1.00 63.15 H new ATOM 0 HD12 LEU A 60 1.603 -1.863 6.353 1.00 63.15 H new ATOM 0 HD13 LEU A 60 1.540 -1.721 4.580 1.00 63.15 H new ATOM 0 HD21 LEU A 60 1.491 1.374 4.554 1.00 15.52 H new ATOM 0 HD22 LEU A 60 0.405 0.380 3.556 1.00 15.52 H new ATOM 0 HD23 LEU A 60 -0.271 1.595 4.666 1.00 15.52 H new ATOM 983 N LYS A 61 -4.188 -0.619 4.585 1.00 24.25 N ATOM 984 CA LYS A 61 -5.387 -1.397 4.304 1.00 13.21 C ATOM 985 C LYS A 61 -5.078 -2.453 3.243 1.00 64.50 C ATOM 986 O LYS A 61 -4.375 -2.178 2.268 1.00 72.13 O ATOM 987 CB LYS A 61 -6.514 -0.469 3.824 1.00 3.12 C ATOM 988 CG LYS A 61 -7.739 -1.196 3.269 1.00 3.01 C ATOM 989 CD LYS A 61 -8.414 -2.081 4.314 1.00 45.04 C ATOM 990 CE LYS A 61 -9.553 -2.891 3.705 1.00 33.02 C ATOM 991 NZ LYS A 61 -10.199 -3.778 4.705 1.00 53.11 N ATOM 0 H LYS A 61 -4.017 0.132 3.916 1.00 24.25 H new ATOM 0 HA LYS A 61 -5.714 -1.898 5.215 1.00 13.21 H new ATOM 0 HB2 LYS A 61 -6.827 0.162 4.656 1.00 3.12 H new ATOM 0 HB3 LYS A 61 -6.119 0.193 3.053 1.00 3.12 H new ATOM 0 HG2 LYS A 61 -8.456 -0.463 2.899 1.00 3.01 H new ATOM 0 HG3 LYS A 61 -7.440 -1.807 2.417 1.00 3.01 H new ATOM 0 HD2 LYS A 61 -7.678 -2.756 4.751 1.00 45.04 H new ATOM 0 HD3 LYS A 61 -8.799 -1.461 5.124 1.00 45.04 H new ATOM 0 HE2 LYS A 61 -10.297 -2.213 3.287 1.00 33.02 H new ATOM 0 HE3 LYS A 61 -9.170 -3.492 2.880 1.00 33.02 H new ATOM 0 HZ1 LYS A 61 -10.968 -4.311 4.251 1.00 53.11 H new ATOM 0 HZ2 LYS A 61 -9.495 -4.442 5.086 1.00 53.11 H new ATOM 0 HZ3 LYS A 61 -10.587 -3.203 5.480 1.00 53.11 H new ATOM 1005 N GLY A 62 -5.598 -3.662 3.442 1.00 11.55 N ATOM 1006 CA GLY A 62 -5.355 -4.744 2.506 1.00 54.54 C ATOM 1007 C GLY A 62 -6.499 -4.923 1.521 1.00 72.31 C ATOM 1008 O GLY A 62 -7.670 -4.878 1.905 1.00 2.44 O ATOM 0 H GLY A 62 -6.185 -3.911 4.238 1.00 11.55 H new ATOM 0 HA2 GLY A 62 -4.434 -4.547 1.958 1.00 54.54 H new ATOM 0 HA3 GLY A 62 -5.205 -5.672 3.058 1.00 54.54 H new ATOM 1012 N PHE A 63 -6.153 -5.107 0.250 1.00 21.22 N ATOM 1013 CA PHE A 63 -7.130 -5.385 -0.805 1.00 42.42 C ATOM 1014 C PHE A 63 -6.653 -6.557 -1.651 1.00 13.14 C ATOM 1015 O PHE A 63 -5.539 -7.044 -1.474 1.00 23.13 O ATOM 1016 CB PHE A 63 -7.341 -4.160 -1.711 1.00 44.32 C ATOM 1017 CG PHE A 63 -8.117 -3.034 -1.071 1.00 50.42 C ATOM 1018 CD1 PHE A 63 -9.486 -3.145 -0.875 1.00 43.11 C ATOM 1019 CD2 PHE A 63 -7.483 -1.864 -0.686 1.00 60.43 C ATOM 1020 CE1 PHE A 63 -10.206 -2.112 -0.307 1.00 70.01 C ATOM 1021 CE2 PHE A 63 -8.198 -0.828 -0.116 1.00 32.20 C ATOM 1022 CZ PHE A 63 -9.561 -0.953 0.073 1.00 65.25 C ATOM 0 H PHE A 63 -5.189 -5.068 -0.080 1.00 21.22 H new ATOM 0 HA PHE A 63 -8.079 -5.628 -0.327 1.00 42.42 H new ATOM 0 HB2 PHE A 63 -6.367 -3.782 -2.022 1.00 44.32 H new ATOM 0 HB3 PHE A 63 -7.863 -4.477 -2.614 1.00 44.32 H new ATOM 0 HD1 PHE A 63 -9.995 -4.051 -1.170 1.00 43.11 H new ATOM 0 HD2 PHE A 63 -6.418 -1.760 -0.833 1.00 60.43 H new ATOM 0 HE1 PHE A 63 -11.271 -2.211 -0.161 1.00 70.01 H new ATOM 0 HE2 PHE A 63 -7.692 0.079 0.181 1.00 32.20 H new ATOM 0 HZ PHE A 63 -10.121 -0.144 0.518 1.00 65.25 H new ATOM 1032 N PHE A 64 -7.500 -6.996 -2.572 1.00 12.41 N ATOM 1033 CA PHE A 64 -7.154 -8.061 -3.510 1.00 0.21 C ATOM 1034 C PHE A 64 -7.279 -7.534 -4.934 1.00 34.41 C ATOM 1035 O PHE A 64 -7.761 -6.417 -5.140 1.00 30.21 O ATOM 1036 CB PHE A 64 -8.066 -9.280 -3.313 1.00 41.43 C ATOM 1037 CG PHE A 64 -8.001 -9.873 -1.926 1.00 51.50 C ATOM 1038 CD1 PHE A 64 -6.965 -10.726 -1.562 1.00 3.42 C ATOM 1039 CD2 PHE A 64 -8.977 -9.574 -0.985 1.00 42.41 C ATOM 1040 CE1 PHE A 64 -6.909 -11.266 -0.289 1.00 14.11 C ATOM 1041 CE2 PHE A 64 -8.922 -10.111 0.286 1.00 50.44 C ATOM 1042 CZ PHE A 64 -7.889 -10.957 0.633 1.00 33.11 C ATOM 0 H PHE A 64 -8.443 -6.627 -2.692 1.00 12.41 H new ATOM 0 HA PHE A 64 -6.127 -8.377 -3.325 1.00 0.21 H new ATOM 0 HB2 PHE A 64 -9.095 -8.990 -3.526 1.00 41.43 H new ATOM 0 HB3 PHE A 64 -7.794 -10.046 -4.039 1.00 41.43 H new ATOM 0 HD1 PHE A 64 -6.196 -10.970 -2.280 1.00 3.42 H new ATOM 0 HD2 PHE A 64 -9.789 -8.913 -1.250 1.00 42.41 H new ATOM 0 HE1 PHE A 64 -6.100 -11.928 -0.017 1.00 14.11 H new ATOM 0 HE2 PHE A 64 -9.688 -9.869 1.008 1.00 50.44 H new ATOM 0 HZ PHE A 64 -7.847 -11.378 1.627 1.00 33.11 H new ATOM 1052 N ASP A 65 -6.829 -8.322 -5.909 1.00 15.40 N ATOM 1053 CA ASP A 65 -6.929 -7.931 -7.318 1.00 62.00 C ATOM 1054 C ASP A 65 -8.394 -7.679 -7.678 1.00 30.22 C ATOM 1055 O ASP A 65 -9.187 -8.616 -7.782 1.00 32.12 O ATOM 1056 CB ASP A 65 -6.331 -9.025 -8.233 1.00 74.10 C ATOM 1057 CG ASP A 65 -5.255 -8.497 -9.180 1.00 41.21 C ATOM 1058 OD1 ASP A 65 -5.579 -7.688 -10.073 1.00 31.13 O ATOM 1059 OD2 ASP A 65 -4.079 -8.901 -9.040 1.00 31.41 O ATOM 0 H ASP A 65 -6.393 -9.231 -5.753 1.00 15.40 H new ATOM 0 HA ASP A 65 -6.359 -7.014 -7.470 1.00 62.00 H new ATOM 0 HB2 ASP A 65 -5.905 -9.814 -7.614 1.00 74.10 H new ATOM 0 HB3 ASP A 65 -7.131 -9.477 -8.819 1.00 74.10 H new ATOM 1064 N ASP A 66 -8.739 -6.408 -7.852 1.00 33.05 N ATOM 1065 CA ASP A 66 -10.121 -5.995 -8.099 1.00 62.10 C ATOM 1066 C ASP A 66 -10.417 -6.019 -9.597 1.00 4.21 C ATOM 1067 O ASP A 66 -11.168 -6.867 -10.086 1.00 32.20 O ATOM 1068 CB ASP A 66 -10.347 -4.591 -7.521 1.00 34.32 C ATOM 1069 CG ASP A 66 -11.796 -4.134 -7.575 1.00 51.02 C ATOM 1070 OD1 ASP A 66 -12.222 -3.618 -8.628 1.00 23.54 O ATOM 1071 OD2 ASP A 66 -12.502 -4.249 -6.550 1.00 21.43 O ATOM 0 H ASP A 66 -8.073 -5.635 -7.826 1.00 33.05 H new ATOM 0 HA ASP A 66 -10.801 -6.691 -7.608 1.00 62.10 H new ATOM 0 HB2 ASP A 66 -10.009 -4.575 -6.485 1.00 34.32 H new ATOM 0 HB3 ASP A 66 -9.730 -3.879 -8.069 1.00 34.32 H new ATOM 1205 N THR A 75 -3.738 -2.860 -13.759 1.00 43.00 N ATOM 1206 CA THR A 75 -3.967 -2.899 -12.326 1.00 71.21 C ATOM 1207 C THR A 75 -4.810 -1.694 -11.906 1.00 51.45 C ATOM 1208 O THR A 75 -4.454 -0.541 -12.171 1.00 65.44 O ATOM 1209 CB THR A 75 -2.633 -2.945 -11.534 1.00 4.33 C ATOM 1210 OG1 THR A 75 -2.891 -2.992 -10.126 1.00 2.51 O ATOM 1211 CG2 THR A 75 -1.742 -1.749 -11.859 1.00 40.31 C ATOM 0 HA THR A 75 -4.510 -3.814 -12.090 1.00 71.21 H new ATOM 0 HB THR A 75 -2.105 -3.849 -11.835 1.00 4.33 H new ATOM 0 HG1 THR A 75 -2.053 -2.862 -9.635 1.00 2.51 H new ATOM 0 HG21 THR A 75 -0.818 -1.817 -11.285 1.00 40.31 H new ATOM 0 HG22 THR A 75 -1.509 -1.748 -12.924 1.00 40.31 H new ATOM 0 HG23 THR A 75 -2.262 -0.827 -11.601 1.00 40.31 H new ATOM 1219 N LYS A 76 -5.955 -1.980 -11.301 1.00 0.43 N ATOM 1220 CA LYS A 76 -6.879 -0.953 -10.837 1.00 70.02 C ATOM 1221 C LYS A 76 -7.818 -1.563 -9.801 1.00 73.50 C ATOM 1222 O LYS A 76 -8.148 -2.747 -9.881 1.00 31.44 O ATOM 1223 CB LYS A 76 -7.678 -0.377 -12.021 1.00 60.54 C ATOM 1224 CG LYS A 76 -8.652 0.745 -11.649 1.00 54.42 C ATOM 1225 CD LYS A 76 -7.929 1.981 -11.118 1.00 14.11 C ATOM 1226 CE LYS A 76 -8.895 3.140 -10.868 1.00 3.13 C ATOM 1227 NZ LYS A 76 -8.189 4.380 -10.440 1.00 63.30 N ATOM 0 H LYS A 76 -6.270 -2.933 -11.118 1.00 0.43 H new ATOM 0 HA LYS A 76 -6.320 -0.136 -10.381 1.00 70.02 H new ATOM 0 HB2 LYS A 76 -6.977 0.001 -12.766 1.00 60.54 H new ATOM 0 HB3 LYS A 76 -8.238 -1.185 -12.491 1.00 60.54 H new ATOM 0 HG2 LYS A 76 -9.241 1.018 -12.525 1.00 54.42 H new ATOM 0 HG3 LYS A 76 -9.351 0.383 -10.895 1.00 54.42 H new ATOM 0 HD2 LYS A 76 -7.414 1.730 -10.191 1.00 14.11 H new ATOM 0 HD3 LYS A 76 -7.166 2.291 -11.832 1.00 14.11 H new ATOM 0 HE2 LYS A 76 -9.461 3.342 -11.778 1.00 3.13 H new ATOM 0 HE3 LYS A 76 -9.615 2.852 -10.102 1.00 3.13 H new ATOM 0 HZ1 LYS A 76 -8.883 5.138 -10.282 1.00 63.30 H new ATOM 0 HZ2 LYS A 76 -7.670 4.197 -9.558 1.00 63.30 H new ATOM 0 HZ3 LYS A 76 -7.520 4.672 -11.181 1.00 63.30 H new ATOM 1241 N ILE A 77 -8.228 -0.770 -8.822 1.00 54.03 N ATOM 1242 CA ILE A 77 -9.116 -1.247 -7.772 1.00 53.14 C ATOM 1243 C ILE A 77 -10.343 -0.340 -7.675 1.00 33.12 C ATOM 1244 O ILE A 77 -10.234 0.816 -7.267 1.00 50.41 O ATOM 1245 CB ILE A 77 -8.389 -1.299 -6.399 1.00 5.04 C ATOM 1246 CG1 ILE A 77 -7.037 -2.018 -6.522 1.00 51.35 C ATOM 1247 CG2 ILE A 77 -9.259 -1.994 -5.355 1.00 2.32 C ATOM 1248 CD1 ILE A 77 -6.248 -2.059 -5.227 1.00 62.33 C ATOM 0 H ILE A 77 -7.959 0.210 -8.733 1.00 54.03 H new ATOM 0 HA ILE A 77 -9.430 -2.259 -8.029 1.00 53.14 H new ATOM 0 HB ILE A 77 -8.207 -0.274 -6.077 1.00 5.04 H new ATOM 0 HG12 ILE A 77 -7.208 -3.038 -6.865 1.00 51.35 H new ATOM 0 HG13 ILE A 77 -6.439 -1.521 -7.286 1.00 51.35 H new ATOM 0 HG21 ILE A 77 -8.732 -2.020 -4.401 1.00 2.32 H new ATOM 0 HG22 ILE A 77 -10.194 -1.447 -5.238 1.00 2.32 H new ATOM 0 HG23 ILE A 77 -9.473 -3.012 -5.679 1.00 2.32 H new ATOM 0 HD11 ILE A 77 -5.306 -2.582 -5.391 1.00 62.33 H new ATOM 0 HD12 ILE A 77 -6.045 -1.042 -4.892 1.00 62.33 H new ATOM 0 HD13 ILE A 77 -6.826 -2.583 -4.465 1.00 62.33 H new ATOM 1260 N SER A 78 -11.504 -0.860 -8.065 1.00 41.44 N ATOM 1261 CA SER A 78 -12.742 -0.088 -8.051 1.00 60.30 C ATOM 1262 C SER A 78 -13.143 0.267 -6.616 1.00 52.21 C ATOM 1263 O SER A 78 -13.474 1.421 -6.319 1.00 41.43 O ATOM 1264 CB SER A 78 -13.865 -0.870 -8.749 1.00 10.30 C ATOM 1265 OG SER A 78 -15.062 -0.109 -8.834 1.00 50.22 O ATOM 0 H SER A 78 -11.613 -1.819 -8.396 1.00 41.44 H new ATOM 0 HA SER A 78 -12.576 0.841 -8.596 1.00 60.30 H new ATOM 0 HB2 SER A 78 -13.542 -1.154 -9.751 1.00 10.30 H new ATOM 0 HB3 SER A 78 -14.059 -1.793 -8.203 1.00 10.30 H new ATOM 0 HG SER A 78 -15.754 -0.637 -9.285 1.00 50.22 H new ATOM 1271 N THR A 79 -13.093 -0.724 -5.726 1.00 20.30 N ATOM 1272 CA THR A 79 -13.457 -0.518 -4.325 1.00 64.41 C ATOM 1273 C THR A 79 -12.500 0.473 -3.648 1.00 24.43 C ATOM 1274 O THR A 79 -12.820 1.044 -2.606 1.00 40.12 O ATOM 1275 CB THR A 79 -13.483 -1.856 -3.538 1.00 72.25 C ATOM 1276 OG1 THR A 79 -13.899 -1.630 -2.184 1.00 43.12 O ATOM 1277 CG2 THR A 79 -12.119 -2.541 -3.543 1.00 3.11 C ATOM 0 H THR A 79 -12.804 -1.676 -5.950 1.00 20.30 H new ATOM 0 HA THR A 79 -14.463 -0.098 -4.313 1.00 64.41 H new ATOM 0 HB THR A 79 -14.196 -2.512 -4.037 1.00 72.25 H new ATOM 0 HG1 THR A 79 -13.913 -2.482 -1.699 1.00 43.12 H new ATOM 0 HG21 THR A 79 -12.178 -3.474 -2.982 1.00 3.11 H new ATOM 0 HG22 THR A 79 -11.822 -2.753 -4.570 1.00 3.11 H new ATOM 0 HG23 THR A 79 -11.381 -1.886 -3.080 1.00 3.11 H new ATOM 1285 N LEU A 80 -11.335 0.684 -4.259 1.00 33.14 N ATOM 1286 CA LEU A 80 -10.352 1.630 -3.739 1.00 14.20 C ATOM 1287 C LEU A 80 -10.880 3.055 -3.831 1.00 12.53 C ATOM 1288 O LEU A 80 -10.782 3.825 -2.878 1.00 14.22 O ATOM 1289 CB LEU A 80 -9.037 1.517 -4.518 1.00 50.04 C ATOM 1290 CG LEU A 80 -7.941 2.520 -4.126 1.00 3.04 C ATOM 1291 CD1 LEU A 80 -7.522 2.323 -2.673 1.00 11.23 C ATOM 1292 CD2 LEU A 80 -6.740 2.401 -5.065 1.00 74.25 C ATOM 0 H LEU A 80 -11.050 0.211 -5.116 1.00 33.14 H new ATOM 0 HA LEU A 80 -10.169 1.387 -2.692 1.00 14.20 H new ATOM 0 HB2 LEU A 80 -8.644 0.509 -4.387 1.00 50.04 H new ATOM 0 HB3 LEU A 80 -9.253 1.640 -5.579 1.00 50.04 H new ATOM 0 HG LEU A 80 -8.347 3.527 -4.224 1.00 3.04 H new ATOM 0 HD11 LEU A 80 -6.745 3.044 -2.417 1.00 11.23 H new ATOM 0 HD12 LEU A 80 -8.384 2.472 -2.022 1.00 11.23 H new ATOM 0 HD13 LEU A 80 -7.137 1.312 -2.539 1.00 11.23 H new ATOM 0 HD21 LEU A 80 -5.975 3.120 -4.770 1.00 74.25 H new ATOM 0 HD22 LEU A 80 -6.331 1.392 -5.007 1.00 74.25 H new ATOM 0 HD23 LEU A 80 -7.056 2.606 -6.088 1.00 74.25 H new ATOM 1304 N ASP A 81 -11.454 3.390 -4.983 1.00 3.12 N ATOM 1305 CA ASP A 81 -11.956 4.741 -5.234 1.00 70.31 C ATOM 1306 C ASP A 81 -13.012 5.111 -4.196 1.00 51.34 C ATOM 1307 O ASP A 81 -13.002 6.213 -3.644 1.00 1.54 O ATOM 1308 CB ASP A 81 -12.539 4.838 -6.651 1.00 41.21 C ATOM 1309 CG ASP A 81 -12.894 6.264 -7.050 1.00 44.21 C ATOM 1310 OD1 ASP A 81 -14.021 6.718 -6.745 1.00 35.42 O ATOM 1311 OD2 ASP A 81 -12.051 6.935 -7.682 1.00 3.52 O ATOM 0 H ASP A 81 -11.584 2.743 -5.761 1.00 3.12 H new ATOM 0 HA ASP A 81 -11.127 5.444 -5.153 1.00 70.31 H new ATOM 0 HB2 ASP A 81 -11.818 4.436 -7.363 1.00 41.21 H new ATOM 0 HB3 ASP A 81 -13.432 4.216 -6.715 1.00 41.21 H new ATOM 1316 N GLU A 82 -13.904 4.163 -3.923 1.00 4.33 N ATOM 1317 CA GLU A 82 -14.940 4.341 -2.910 1.00 60.44 C ATOM 1318 C GLU A 82 -14.313 4.454 -1.518 1.00 44.23 C ATOM 1319 O GLU A 82 -14.631 5.367 -0.757 1.00 61.42 O ATOM 1320 CB GLU A 82 -15.923 3.163 -2.948 1.00 43.03 C ATOM 1321 CG GLU A 82 -16.719 3.052 -4.245 1.00 52.54 C ATOM 1322 CD GLU A 82 -17.692 4.205 -4.441 1.00 41.35 C ATOM 1323 OE1 GLU A 82 -18.796 4.163 -3.856 1.00 64.22 O ATOM 1324 OE2 GLU A 82 -17.363 5.155 -5.181 1.00 12.51 O ATOM 0 H GLU A 82 -13.930 3.258 -4.393 1.00 4.33 H new ATOM 0 HA GLU A 82 -15.481 5.263 -3.125 1.00 60.44 H new ATOM 0 HB2 GLU A 82 -15.369 2.237 -2.795 1.00 43.03 H new ATOM 0 HB3 GLU A 82 -16.619 3.259 -2.115 1.00 43.03 H new ATOM 0 HG2 GLU A 82 -16.029 3.018 -5.088 1.00 52.54 H new ATOM 0 HG3 GLU A 82 -17.271 2.112 -4.248 1.00 52.54 H new ATOM 1331 N TYR A 83 -13.409 3.523 -1.212 1.00 44.20 N ATOM 1332 CA TYR A 83 -12.750 3.461 0.092 1.00 22.51 C ATOM 1333 C TYR A 83 -12.076 4.790 0.436 1.00 41.22 C ATOM 1334 O TYR A 83 -12.364 5.397 1.470 1.00 3.13 O ATOM 1335 CB TYR A 83 -11.711 2.327 0.099 1.00 20.53 C ATOM 1336 CG TYR A 83 -10.925 2.206 1.394 1.00 75.13 C ATOM 1337 CD1 TYR A 83 -11.432 1.492 2.472 1.00 72.12 C ATOM 1338 CD2 TYR A 83 -9.674 2.805 1.534 1.00 54.25 C ATOM 1339 CE1 TYR A 83 -10.719 1.379 3.650 1.00 24.40 C ATOM 1340 CE2 TYR A 83 -8.958 2.696 2.710 1.00 31.42 C ATOM 1341 CZ TYR A 83 -9.484 1.983 3.766 1.00 31.22 C ATOM 1342 OH TYR A 83 -8.773 1.874 4.941 1.00 23.24 O ATOM 0 H TYR A 83 -13.114 2.792 -1.860 1.00 44.20 H new ATOM 0 HA TYR A 83 -13.510 3.262 0.848 1.00 22.51 H new ATOM 0 HB2 TYR A 83 -12.220 1.383 -0.093 1.00 20.53 H new ATOM 0 HB3 TYR A 83 -11.013 2.485 -0.723 1.00 20.53 H new ATOM 0 HD1 TYR A 83 -12.399 1.018 2.388 1.00 72.12 H new ATOM 0 HD2 TYR A 83 -9.258 3.364 0.709 1.00 54.25 H new ATOM 0 HE1 TYR A 83 -11.128 0.819 4.478 1.00 24.40 H new ATOM 0 HE2 TYR A 83 -7.991 3.167 2.802 1.00 31.42 H new ATOM 0 HH TYR A 83 -7.924 2.356 4.856 1.00 23.24 H new ATOM 1352 N ILE A 84 -11.187 5.236 -0.445 1.00 44.22 N ATOM 1353 CA ILE A 84 -10.438 6.471 -0.232 1.00 5.31 C ATOM 1354 C ILE A 84 -11.389 7.648 -0.063 1.00 60.02 C ATOM 1355 O ILE A 84 -11.212 8.478 0.826 1.00 2.53 O ATOM 1356 CB ILE A 84 -9.462 6.751 -1.404 1.00 15.42 C ATOM 1357 CG1 ILE A 84 -8.405 5.639 -1.503 1.00 64.21 C ATOM 1358 CG2 ILE A 84 -8.797 8.118 -1.254 1.00 23.22 C ATOM 1359 CD1 ILE A 84 -7.563 5.473 -0.253 1.00 20.10 C ATOM 0 H ILE A 84 -10.966 4.758 -1.319 1.00 44.22 H new ATOM 0 HA ILE A 84 -9.852 6.347 0.679 1.00 5.31 H new ATOM 0 HB ILE A 84 -10.040 6.762 -2.328 1.00 15.42 H new ATOM 0 HG12 ILE A 84 -8.905 4.695 -1.719 1.00 64.21 H new ATOM 0 HG13 ILE A 84 -7.747 5.852 -2.346 1.00 64.21 H new ATOM 0 HG21 ILE A 84 -8.118 8.286 -2.090 1.00 23.22 H new ATOM 0 HG22 ILE A 84 -9.561 8.895 -1.245 1.00 23.22 H new ATOM 0 HG23 ILE A 84 -8.236 8.149 -0.320 1.00 23.22 H new ATOM 0 HD11 ILE A 84 -6.842 4.669 -0.404 1.00 20.10 H new ATOM 0 HD12 ILE A 84 -7.032 6.402 -0.046 1.00 20.10 H new ATOM 0 HD13 ILE A 84 -8.208 5.228 0.590 1.00 20.10 H new ATOM 1371 N TYR A 85 -12.419 7.685 -0.900 1.00 12.33 N ATOM 1372 CA TYR A 85 -13.402 8.762 -0.881 1.00 3.54 C ATOM 1373 C TYR A 85 -14.027 8.903 0.512 1.00 74.40 C ATOM 1374 O TYR A 85 -14.422 9.999 0.921 1.00 41.53 O ATOM 1375 CB TYR A 85 -14.487 8.493 -1.932 1.00 65.00 C ATOM 1376 CG TYR A 85 -15.453 9.642 -2.130 1.00 53.10 C ATOM 1377 CD1 TYR A 85 -15.112 10.728 -2.929 1.00 34.31 C ATOM 1378 CD2 TYR A 85 -16.702 9.648 -1.516 1.00 71.52 C ATOM 1379 CE1 TYR A 85 -15.984 11.782 -3.110 1.00 13.21 C ATOM 1380 CE2 TYR A 85 -17.578 10.701 -1.692 1.00 40.44 C ATOM 1381 CZ TYR A 85 -17.214 11.764 -2.490 1.00 34.31 C ATOM 1382 OH TYR A 85 -18.083 12.818 -2.672 1.00 62.21 O ATOM 0 H TYR A 85 -12.596 6.973 -1.608 1.00 12.33 H new ATOM 0 HA TYR A 85 -12.900 9.699 -1.121 1.00 3.54 H new ATOM 0 HB2 TYR A 85 -14.007 8.267 -2.884 1.00 65.00 H new ATOM 0 HB3 TYR A 85 -15.049 7.606 -1.640 1.00 65.00 H new ATOM 0 HD1 TYR A 85 -14.148 10.747 -3.416 1.00 34.31 H new ATOM 0 HD2 TYR A 85 -16.991 8.815 -0.892 1.00 71.52 H new ATOM 0 HE1 TYR A 85 -15.704 12.617 -3.735 1.00 13.21 H new ATOM 0 HE2 TYR A 85 -18.543 10.692 -1.207 1.00 40.44 H new ATOM 0 HH TYR A 85 -18.908 12.653 -2.169 1.00 62.21 H new ATOM 1392 N GLU A 86 -14.109 7.784 1.233 1.00 43.14 N ATOM 1393 CA GLU A 86 -14.654 7.770 2.589 1.00 71.52 C ATOM 1394 C GLU A 86 -13.605 8.253 3.593 1.00 65.44 C ATOM 1395 O GLU A 86 -13.884 9.108 4.438 1.00 50.24 O ATOM 1396 CB GLU A 86 -15.111 6.352 2.966 1.00 41.01 C ATOM 1397 CG GLU A 86 -16.071 5.725 1.963 1.00 15.23 C ATOM 1398 CD GLU A 86 -16.497 4.323 2.364 1.00 71.34 C ATOM 1399 OE1 GLU A 86 -15.726 3.369 2.131 1.00 64.32 O ATOM 1400 OE2 GLU A 86 -17.603 4.167 2.923 1.00 32.31 O ATOM 0 H GLU A 86 -13.803 6.871 0.897 1.00 43.14 H new ATOM 0 HA GLU A 86 -15.511 8.443 2.619 1.00 71.52 H new ATOM 0 HB2 GLU A 86 -14.234 5.712 3.063 1.00 41.01 H new ATOM 0 HB3 GLU A 86 -15.592 6.384 3.943 1.00 41.01 H new ATOM 0 HG2 GLU A 86 -16.954 6.356 1.867 1.00 15.23 H new ATOM 0 HG3 GLU A 86 -15.596 5.690 0.983 1.00 15.23 H new ATOM 1407 N TYR A 87 -12.398 7.703 3.482 1.00 40.43 N ATOM 1408 CA TYR A 87 -11.322 7.992 4.426 1.00 10.22 C ATOM 1409 C TYR A 87 -10.546 9.241 4.008 1.00 33.44 C ATOM 1410 O TYR A 87 -10.799 10.340 4.515 1.00 54.13 O ATOM 1411 CB TYR A 87 -10.376 6.786 4.544 1.00 33.22 C ATOM 1412 CG TYR A 87 -11.015 5.550 5.157 1.00 45.21 C ATOM 1413 CD1 TYR A 87 -12.070 4.900 4.523 1.00 10.41 C ATOM 1414 CD2 TYR A 87 -10.562 5.033 6.366 1.00 12.33 C ATOM 1415 CE1 TYR A 87 -12.653 3.775 5.075 1.00 54.14 C ATOM 1416 CE2 TYR A 87 -11.141 3.907 6.923 1.00 10.24 C ATOM 1417 CZ TYR A 87 -12.186 3.284 6.273 1.00 24.23 C ATOM 1418 OH TYR A 87 -12.761 2.160 6.822 1.00 71.21 O ATOM 0 H TYR A 87 -12.140 7.050 2.742 1.00 40.43 H new ATOM 0 HA TYR A 87 -11.769 8.183 5.402 1.00 10.22 H new ATOM 0 HB2 TYR A 87 -10.002 6.534 3.552 1.00 33.22 H new ATOM 0 HB3 TYR A 87 -9.514 7.072 5.146 1.00 33.22 H new ATOM 0 HD1 TYR A 87 -12.440 5.282 3.583 1.00 10.41 H new ATOM 0 HD2 TYR A 87 -9.745 5.519 6.878 1.00 12.33 H new ATOM 0 HE1 TYR A 87 -13.471 3.284 4.569 1.00 54.14 H new ATOM 0 HE2 TYR A 87 -10.777 3.518 7.862 1.00 10.24 H new ATOM 0 HH TYR A 87 -12.315 1.944 7.667 1.00 71.21 H new ATOM 1428 N CYS A 88 -9.612 9.075 3.076 1.00 54.03 N ATOM 1429 CA CYS A 88 -8.794 10.187 2.606 1.00 2.13 C ATOM 1430 C CYS A 88 -9.555 11.004 1.564 1.00 53.14 C ATOM 1431 O CYS A 88 -9.406 10.799 0.360 1.00 53.40 O ATOM 1432 CB CYS A 88 -7.461 9.681 2.031 1.00 33.34 C ATOM 1433 SG CYS A 88 -6.263 10.999 1.628 1.00 3.11 S ATOM 0 H CYS A 88 -9.403 8.181 2.632 1.00 54.03 H new ATOM 0 HA CYS A 88 -8.571 10.832 3.456 1.00 2.13 H new ATOM 0 HB2 CYS A 88 -7.005 9.000 2.749 1.00 33.34 H new ATOM 0 HB3 CYS A 88 -7.664 9.104 1.129 1.00 33.34 H new ATOM 1438 N ASN A 89 -10.408 11.903 2.048 1.00 43.04 N ATOM 1439 CA ASN A 89 -11.159 12.808 1.180 1.00 3.52 C ATOM 1440 C ASN A 89 -10.209 13.788 0.492 1.00 70.24 C ATOM 1441 O ASN A 89 -9.002 13.764 0.735 1.00 73.22 O ATOM 1442 CB ASN A 89 -12.205 13.581 1.997 1.00 15.21 C ATOM 1443 CG ASN A 89 -11.573 14.453 3.072 1.00 11.25 C ATOM 1444 OD1 ASN A 89 -11.323 13.994 4.189 1.00 42.11 O ATOM 1445 ND2 ASN A 89 -11.322 15.717 2.756 1.00 14.45 N ATOM 0 H ASN A 89 -10.598 12.025 3.043 1.00 43.04 H new ATOM 0 HA ASN A 89 -11.670 12.217 0.420 1.00 3.52 H new ATOM 0 HB2 ASN A 89 -12.796 14.206 1.327 1.00 15.21 H new ATOM 0 HB3 ASN A 89 -12.892 12.875 2.463 1.00 15.21 H new ATOM 0 HD21 ASN A 89 -10.909 16.343 3.447 1.00 14.45 H new ATOM 0 HD22 ASN A 89 -11.542 16.062 1.822 1.00 14.45 H new ATOM 1452 N PHE A 90 -10.752 14.652 -0.362 1.00 40.52 N ATOM 1453 CA PHE A 90 -9.939 15.654 -1.044 1.00 61.21 C ATOM 1454 C PHE A 90 -9.317 16.607 -0.020 1.00 74.12 C ATOM 1455 O PHE A 90 -9.903 17.631 0.332 1.00 62.20 O ATOM 1456 CB PHE A 90 -10.770 16.432 -2.075 1.00 30.32 C ATOM 1457 CG PHE A 90 -9.956 17.409 -2.889 1.00 34.23 C ATOM 1458 CD1 PHE A 90 -9.062 16.954 -3.847 1.00 32.52 C ATOM 1459 CD2 PHE A 90 -10.078 18.780 -2.692 1.00 0.45 C ATOM 1460 CE1 PHE A 90 -8.308 17.839 -4.591 1.00 43.13 C ATOM 1461 CE2 PHE A 90 -9.324 19.669 -3.433 1.00 63.34 C ATOM 1462 CZ PHE A 90 -8.440 19.199 -4.383 1.00 23.31 C ATOM 0 H PHE A 90 -11.744 14.679 -0.597 1.00 40.52 H new ATOM 0 HA PHE A 90 -9.140 15.143 -1.581 1.00 61.21 H new ATOM 0 HB2 PHE A 90 -11.254 15.725 -2.748 1.00 30.32 H new ATOM 0 HB3 PHE A 90 -11.562 16.973 -1.558 1.00 30.32 H new ATOM 0 HD1 PHE A 90 -8.954 15.892 -4.013 1.00 32.52 H new ATOM 0 HD2 PHE A 90 -10.770 19.154 -1.952 1.00 0.45 H new ATOM 0 HE1 PHE A 90 -7.617 17.470 -5.334 1.00 43.13 H new ATOM 0 HE2 PHE A 90 -9.426 20.732 -3.269 1.00 63.34 H new ATOM 0 HZ PHE A 90 -7.851 19.894 -4.964 1.00 23.31 H new ATOM 1472 N GLY A 91 -8.157 16.217 0.496 1.00 34.25 N ATOM 1473 CA GLY A 91 -7.439 17.032 1.463 1.00 70.43 C ATOM 1474 C GLY A 91 -6.428 16.211 2.243 1.00 2.33 C ATOM 1475 O GLY A 91 -6.233 16.422 3.443 1.00 1.44 O ATOM 0 H GLY A 91 -7.695 15.339 0.259 1.00 34.25 H new ATOM 0 HA2 GLY A 91 -6.928 17.845 0.947 1.00 70.43 H new ATOM 0 HA3 GLY A 91 -8.148 17.489 2.153 1.00 70.43 H new ATOM 1479 N CYS A 92 -5.791 15.270 1.551 1.00 72.14 N ATOM 1480 CA CYS A 92 -4.798 14.382 2.148 1.00 42.42 C ATOM 1481 C CYS A 92 -4.123 13.556 1.051 1.00 4.43 C ATOM 1482 O CYS A 92 -4.268 13.867 -0.133 1.00 64.13 O ATOM 1483 CB CYS A 92 -5.455 13.476 3.199 1.00 62.50 C ATOM 1484 SG CYS A 92 -6.962 12.627 2.624 1.00 44.04 S ATOM 0 H CYS A 92 -5.950 15.102 0.558 1.00 72.14 H new ATOM 0 HA CYS A 92 -4.037 14.977 2.652 1.00 42.42 H new ATOM 0 HB2 CYS A 92 -4.731 12.727 3.520 1.00 62.50 H new ATOM 0 HB3 CYS A 92 -5.702 14.076 4.075 1.00 62.50 H new ATOM 1489 N ALA A 93 -3.384 12.516 1.436 1.00 62.33 N ATOM 1490 CA ALA A 93 -2.642 11.703 0.478 1.00 42.42 C ATOM 1491 C ALA A 93 -2.835 10.211 0.741 1.00 31.22 C ATOM 1492 O ALA A 93 -3.317 9.814 1.805 1.00 42.40 O ATOM 1493 CB ALA A 93 -1.163 12.063 0.544 1.00 43.25 C ATOM 0 H ALA A 93 -3.284 12.218 2.406 1.00 62.33 H new ATOM 0 HA ALA A 93 -3.026 11.913 -0.520 1.00 42.42 H new ATOM 0 HB1 ALA A 93 -0.608 11.456 -0.171 1.00 43.25 H new ATOM 0 HB2 ALA A 93 -1.034 13.118 0.302 1.00 43.25 H new ATOM 0 HB3 ALA A 93 -0.787 11.873 1.549 1.00 43.25 H new ATOM 1499 N TYR A 94 -2.443 9.396 -0.238 1.00 31.52 N ATOM 1500 CA TYR A 94 -2.490 7.942 -0.114 1.00 0.35 C ATOM 1501 C TYR A 94 -1.656 7.299 -1.222 1.00 24.44 C ATOM 1502 O TYR A 94 -1.371 7.938 -2.244 1.00 4.42 O ATOM 1503 CB TYR A 94 -3.942 7.427 -0.167 1.00 23.40 C ATOM 1504 CG TYR A 94 -4.628 7.613 -1.514 1.00 15.21 C ATOM 1505 CD1 TYR A 94 -5.254 8.811 -1.843 1.00 32.22 C ATOM 1506 CD2 TYR A 94 -4.650 6.581 -2.449 1.00 35.40 C ATOM 1507 CE1 TYR A 94 -5.881 8.974 -3.065 1.00 54.13 C ATOM 1508 CE2 TYR A 94 -5.275 6.739 -3.670 1.00 55.24 C ATOM 1509 CZ TYR A 94 -5.890 7.937 -3.972 1.00 30.13 C ATOM 1510 OH TYR A 94 -6.512 8.092 -5.192 1.00 51.13 O ATOM 0 H TYR A 94 -2.086 9.725 -1.135 1.00 31.52 H new ATOM 0 HA TYR A 94 -2.072 7.665 0.854 1.00 0.35 H new ATOM 0 HB2 TYR A 94 -3.948 6.367 0.086 1.00 23.40 H new ATOM 0 HB3 TYR A 94 -4.525 7.941 0.598 1.00 23.40 H new ATOM 0 HD1 TYR A 94 -5.250 9.626 -1.134 1.00 32.22 H new ATOM 0 HD2 TYR A 94 -4.170 5.642 -2.215 1.00 35.40 H new ATOM 0 HE1 TYR A 94 -6.362 9.910 -3.307 1.00 54.13 H new ATOM 0 HE2 TYR A 94 -5.283 5.929 -4.385 1.00 55.24 H new ATOM 0 HH TYR A 94 -6.424 7.266 -5.711 1.00 51.13 H new ATOM 1520 N PHE A 95 -1.269 6.043 -1.020 1.00 44.04 N ATOM 1521 CA PHE A 95 -0.453 5.313 -1.993 1.00 41.04 C ATOM 1522 C PHE A 95 -0.854 3.839 -2.036 1.00 42.11 C ATOM 1523 O PHE A 95 -1.367 3.301 -1.055 1.00 74.22 O ATOM 1524 CB PHE A 95 1.042 5.458 -1.665 1.00 10.32 C ATOM 1525 CG PHE A 95 1.417 5.061 -0.255 1.00 11.53 C ATOM 1526 CD1 PHE A 95 1.356 5.985 0.778 1.00 64.13 C ATOM 1527 CD2 PHE A 95 1.842 3.772 0.032 1.00 1.52 C ATOM 1528 CE1 PHE A 95 1.708 5.633 2.066 1.00 23.43 C ATOM 1529 CE2 PHE A 95 2.197 3.415 1.320 1.00 54.24 C ATOM 1530 CZ PHE A 95 2.129 4.346 2.338 1.00 72.33 C ATOM 0 H PHE A 95 -1.508 5.504 -0.187 1.00 44.04 H new ATOM 0 HA PHE A 95 -0.630 5.744 -2.978 1.00 41.04 H new ATOM 0 HB2 PHE A 95 1.615 4.849 -2.365 1.00 10.32 H new ATOM 0 HB3 PHE A 95 1.338 6.494 -1.828 1.00 10.32 H new ATOM 0 HD1 PHE A 95 1.029 6.993 0.572 1.00 64.13 H new ATOM 0 HD2 PHE A 95 1.896 3.039 -0.759 1.00 1.52 H new ATOM 0 HE1 PHE A 95 1.654 6.363 2.860 1.00 23.43 H new ATOM 0 HE2 PHE A 95 2.527 2.408 1.530 1.00 54.24 H new ATOM 0 HZ PHE A 95 2.404 4.068 3.345 1.00 72.33 H new ATOM 1540 N VAL A 96 -0.615 3.194 -3.179 1.00 43.40 N ATOM 1541 CA VAL A 96 -1.028 1.807 -3.396 1.00 3.02 C ATOM 1542 C VAL A 96 0.131 0.983 -3.955 1.00 30.34 C ATOM 1543 O VAL A 96 0.674 1.301 -5.019 1.00 43.40 O ATOM 1544 CB VAL A 96 -2.223 1.722 -4.385 1.00 2.51 C ATOM 1545 CG1 VAL A 96 -2.744 0.287 -4.493 1.00 23.21 C ATOM 1546 CG2 VAL A 96 -3.342 2.684 -3.986 1.00 23.03 C ATOM 0 H VAL A 96 -0.134 3.614 -3.974 1.00 43.40 H new ATOM 0 HA VAL A 96 -1.335 1.407 -2.430 1.00 3.02 H new ATOM 0 HB VAL A 96 -1.862 2.024 -5.368 1.00 2.51 H new ATOM 0 HG11 VAL A 96 -3.580 0.255 -5.191 1.00 23.21 H new ATOM 0 HG12 VAL A 96 -1.946 -0.364 -4.852 1.00 23.21 H new ATOM 0 HG13 VAL A 96 -3.077 -0.054 -3.513 1.00 23.21 H new ATOM 0 HG21 VAL A 96 -4.164 2.601 -4.697 1.00 23.03 H new ATOM 0 HG22 VAL A 96 -3.699 2.432 -2.988 1.00 23.03 H new ATOM 0 HG23 VAL A 96 -2.962 3.706 -3.988 1.00 23.03 H new ATOM 1556 N LEU A 97 0.512 -0.063 -3.228 1.00 33.52 N ATOM 1557 CA LEU A 97 1.557 -0.991 -3.664 1.00 61.15 C ATOM 1558 C LEU A 97 0.942 -2.339 -4.045 1.00 41.15 C ATOM 1559 O LEU A 97 -0.067 -2.752 -3.470 1.00 34.30 O ATOM 1560 CB LEU A 97 2.614 -1.195 -2.560 1.00 24.45 C ATOM 1561 CG LEU A 97 3.683 -0.092 -2.435 1.00 24.20 C ATOM 1562 CD1 LEU A 97 3.050 1.262 -2.132 1.00 65.14 C ATOM 1563 CD2 LEU A 97 4.703 -0.460 -1.364 1.00 33.32 C ATOM 0 H LEU A 97 0.107 -0.293 -2.321 1.00 33.52 H new ATOM 0 HA LEU A 97 2.048 -0.558 -4.536 1.00 61.15 H new ATOM 0 HB2 LEU A 97 2.099 -1.284 -1.604 1.00 24.45 H new ATOM 0 HB3 LEU A 97 3.119 -2.144 -2.739 1.00 24.45 H new ATOM 0 HG LEU A 97 4.196 -0.011 -3.393 1.00 24.20 H new ATOM 0 HD11 LEU A 97 3.831 2.018 -2.050 1.00 65.14 H new ATOM 0 HD12 LEU A 97 2.366 1.532 -2.937 1.00 65.14 H new ATOM 0 HD13 LEU A 97 2.500 1.205 -1.193 1.00 65.14 H new ATOM 0 HD21 LEU A 97 5.451 0.329 -1.288 1.00 33.32 H new ATOM 0 HD22 LEU A 97 4.198 -0.575 -0.405 1.00 33.32 H new ATOM 0 HD23 LEU A 97 5.190 -1.397 -1.632 1.00 33.32 H new ATOM 1575 N LYS A 98 1.557 -3.015 -5.009 1.00 64.15 N ATOM 1576 CA LYS A 98 1.079 -4.315 -5.474 1.00 11.41 C ATOM 1577 C LYS A 98 2.208 -5.344 -5.472 1.00 34.12 C ATOM 1578 O LYS A 98 3.333 -5.039 -5.868 1.00 33.33 O ATOM 1579 CB LYS A 98 0.510 -4.194 -6.894 1.00 11.03 C ATOM 1580 CG LYS A 98 0.142 -5.535 -7.522 1.00 63.25 C ATOM 1581 CD LYS A 98 -0.285 -5.396 -8.983 1.00 71.23 C ATOM 1582 CE LYS A 98 -0.587 -6.754 -9.602 1.00 53.13 C ATOM 1583 NZ LYS A 98 -1.027 -6.644 -11.018 1.00 11.23 N ATOM 0 H LYS A 98 2.394 -2.682 -5.488 1.00 64.15 H new ATOM 0 HA LYS A 98 0.296 -4.647 -4.792 1.00 11.41 H new ATOM 0 HB2 LYS A 98 -0.376 -3.559 -6.868 1.00 11.03 H new ATOM 0 HB3 LYS A 98 1.242 -3.694 -7.528 1.00 11.03 H new ATOM 0 HG2 LYS A 98 0.996 -6.210 -7.458 1.00 63.25 H new ATOM 0 HG3 LYS A 98 -0.667 -5.991 -6.951 1.00 63.25 H new ATOM 0 HD2 LYS A 98 -1.168 -4.760 -9.047 1.00 71.23 H new ATOM 0 HD3 LYS A 98 0.505 -4.903 -9.550 1.00 71.23 H new ATOM 0 HE2 LYS A 98 0.303 -7.381 -9.548 1.00 53.13 H new ATOM 0 HE3 LYS A 98 -1.363 -7.251 -9.020 1.00 53.13 H new ATOM 0 HZ1 LYS A 98 -1.221 -7.593 -11.396 1.00 11.23 H new ATOM 0 HZ2 LYS A 98 -1.891 -6.068 -11.069 1.00 11.23 H new ATOM 0 HZ3 LYS A 98 -0.277 -6.194 -11.581 1.00 11.23 H new ATOM 1597 N ARG A 99 1.894 -6.555 -5.019 1.00 34.44 N ATOM 1598 CA ARG A 99 2.814 -7.684 -5.101 1.00 2.51 C ATOM 1599 C ARG A 99 2.971 -8.110 -6.557 1.00 4.41 C ATOM 1600 O ARG A 99 1.981 -8.366 -7.243 1.00 71.13 O ATOM 1601 CB ARG A 99 2.282 -8.854 -4.262 1.00 4.22 C ATOM 1602 CG ARG A 99 2.993 -10.188 -4.501 1.00 11.33 C ATOM 1603 CD ARG A 99 4.428 -10.192 -3.990 1.00 33.20 C ATOM 1604 NE ARG A 99 5.103 -11.462 -4.283 1.00 71.22 N ATOM 1605 CZ ARG A 99 5.905 -12.111 -3.437 1.00 34.50 C ATOM 1606 NH1 ARG A 99 6.150 -11.615 -2.228 1.00 5.41 N ATOM 1607 NH2 ARG A 99 6.457 -13.260 -3.808 1.00 41.33 N ATOM 0 H ARG A 99 0.998 -6.780 -4.587 1.00 34.44 H new ATOM 0 HA ARG A 99 3.787 -7.386 -4.710 1.00 2.51 H new ATOM 0 HB2 ARG A 99 2.369 -8.596 -3.207 1.00 4.22 H new ATOM 0 HB3 ARG A 99 1.220 -8.981 -4.473 1.00 4.22 H new ATOM 0 HG2 ARG A 99 2.435 -10.985 -4.010 1.00 11.33 H new ATOM 0 HG3 ARG A 99 2.992 -10.409 -5.568 1.00 11.33 H new ATOM 0 HD2 ARG A 99 4.980 -9.372 -4.448 1.00 33.20 H new ATOM 0 HD3 ARG A 99 4.432 -10.017 -2.914 1.00 33.20 H new ATOM 0 HE ARG A 99 4.948 -11.879 -5.201 1.00 71.22 H new ATOM 0 HH11 ARG A 99 5.724 -10.733 -1.942 1.00 5.41 H new ATOM 0 HH12 ARG A 99 6.764 -12.116 -1.586 1.00 5.41 H new ATOM 0 HH21 ARG A 99 6.267 -13.641 -4.735 1.00 41.33 H new ATOM 0 HH22 ARG A 99 7.071 -13.761 -3.166 1.00 41.33 H new ATOM 1621 N ILE A 100 4.209 -8.177 -7.028 1.00 61.03 N ATOM 1622 CA ILE A 100 4.473 -8.561 -8.407 1.00 0.31 C ATOM 1623 C ILE A 100 4.332 -10.073 -8.577 1.00 5.23 C ATOM 1624 O ILE A 100 3.233 -10.570 -8.829 1.00 20.32 O ATOM 1625 CB ILE A 100 5.874 -8.097 -8.880 1.00 21.35 C ATOM 1626 CG1 ILE A 100 6.069 -6.601 -8.593 1.00 45.13 C ATOM 1627 CG2 ILE A 100 6.068 -8.391 -10.370 1.00 3.12 C ATOM 1628 CD1 ILE A 100 5.046 -5.717 -9.267 1.00 42.24 C ATOM 0 H ILE A 100 5.043 -7.971 -6.478 1.00 61.03 H new ATOM 0 HA ILE A 100 3.733 -8.060 -9.031 1.00 0.31 H new ATOM 0 HB ILE A 100 6.626 -8.656 -8.323 1.00 21.35 H new ATOM 0 HG12 ILE A 100 6.025 -6.438 -7.516 1.00 45.13 H new ATOM 0 HG13 ILE A 100 7.065 -6.304 -8.920 1.00 45.13 H new ATOM 0 HG21 ILE A 100 7.058 -8.057 -10.681 1.00 3.12 H new ATOM 0 HG22 ILE A 100 5.975 -9.463 -10.544 1.00 3.12 H new ATOM 0 HG23 ILE A 100 5.309 -7.862 -10.947 1.00 3.12 H new ATOM 0 HD11 ILE A 100 5.246 -4.675 -9.019 1.00 42.24 H new ATOM 0 HD12 ILE A 100 5.105 -5.851 -10.347 1.00 42.24 H new ATOM 0 HD13 ILE A 100 4.048 -5.987 -8.922 1.00 42.24 H new ATOM 1640 N ARG A 101 5.432 -10.810 -8.417 1.00 23.20 N ATOM 1641 CA ARG A 101 5.418 -12.258 -8.612 1.00 72.52 C ATOM 1642 C ARG A 101 6.387 -12.937 -7.643 1.00 51.01 C ATOM 1643 O ARG A 101 5.977 -13.410 -6.577 1.00 42.40 O ATOM 1644 CB ARG A 101 5.769 -12.610 -10.070 1.00 35.30 C ATOM 1645 CG ARG A 101 4.807 -12.017 -11.097 1.00 14.33 C ATOM 1646 CD ARG A 101 5.220 -12.331 -12.530 1.00 41.33 C ATOM 1647 NE ARG A 101 4.321 -11.706 -13.506 1.00 24.31 N ATOM 1648 CZ ARG A 101 3.281 -12.324 -14.076 1.00 53.11 C ATOM 1649 NH1 ARG A 101 2.993 -13.586 -13.774 1.00 23.33 N ATOM 1650 NH2 ARG A 101 2.520 -11.676 -14.947 1.00 63.44 N ATOM 0 H ARG A 101 6.341 -10.428 -8.154 1.00 23.20 H new ATOM 0 HA ARG A 101 4.413 -12.626 -8.405 1.00 72.52 H new ATOM 0 HB2 ARG A 101 6.778 -12.258 -10.286 1.00 35.30 H new ATOM 0 HB3 ARG A 101 5.779 -13.694 -10.180 1.00 35.30 H new ATOM 0 HG2 ARG A 101 3.804 -12.405 -10.918 1.00 14.33 H new ATOM 0 HG3 ARG A 101 4.759 -10.936 -10.964 1.00 14.33 H new ATOM 0 HD2 ARG A 101 6.239 -11.982 -12.699 1.00 41.33 H new ATOM 0 HD3 ARG A 101 5.224 -13.411 -12.679 1.00 41.33 H new ATOM 0 HE ARG A 101 4.501 -10.737 -13.767 1.00 24.31 H new ATOM 0 HH11 ARG A 101 3.568 -14.093 -13.101 1.00 23.33 H new ATOM 0 HH12 ARG A 101 2.197 -14.047 -14.215 1.00 23.33 H new ATOM 0 HH21 ARG A 101 2.728 -10.706 -15.183 1.00 63.44 H new ATOM 0 HH22 ARG A 101 1.727 -12.148 -15.381 1.00 63.44 H new ATOM 1664 N LYS A 102 7.670 -12.954 -7.997 1.00 41.55 N ATOM 1665 CA LYS A 102 8.692 -13.603 -7.180 1.00 71.31 C ATOM 1666 C LYS A 102 10.066 -13.002 -7.471 1.00 33.13 C ATOM 1667 O LYS A 102 10.351 -12.604 -8.604 1.00 55.53 O ATOM 1668 CB LYS A 102 8.724 -15.128 -7.419 1.00 1.42 C ATOM 1669 CG LYS A 102 9.144 -15.547 -8.832 1.00 53.04 C ATOM 1670 CD LYS A 102 7.977 -15.570 -9.818 1.00 22.32 C ATOM 1671 CE LYS A 102 7.017 -16.724 -9.532 1.00 5.44 C ATOM 1672 NZ LYS A 102 5.935 -16.818 -10.548 1.00 53.11 N ATOM 0 H LYS A 102 8.028 -12.523 -8.849 1.00 41.55 H new ATOM 0 HA LYS A 102 8.437 -13.430 -6.134 1.00 71.31 H new ATOM 0 HB2 LYS A 102 9.410 -15.580 -6.702 1.00 1.42 H new ATOM 0 HB3 LYS A 102 7.734 -15.535 -7.213 1.00 1.42 H new ATOM 0 HG2 LYS A 102 9.908 -14.860 -9.197 1.00 53.04 H new ATOM 0 HG3 LYS A 102 9.598 -16.537 -8.792 1.00 53.04 H new ATOM 0 HD2 LYS A 102 7.436 -14.625 -9.764 1.00 22.32 H new ATOM 0 HD3 LYS A 102 8.361 -15.660 -10.834 1.00 22.32 H new ATOM 0 HE2 LYS A 102 7.574 -17.661 -9.509 1.00 5.44 H new ATOM 0 HE3 LYS A 102 6.575 -16.591 -8.544 1.00 5.44 H new ATOM 0 HZ1 LYS A 102 5.308 -17.614 -10.315 1.00 53.11 H new ATOM 0 HZ2 LYS A 102 5.386 -15.935 -10.553 1.00 53.11 H new ATOM 0 HZ3 LYS A 102 6.354 -16.971 -11.488 1.00 53.11 H new ATOM 1686 N LEU A 103 10.916 -12.962 -6.450 1.00 15.44 N ATOM 1687 CA LEU A 103 12.244 -12.364 -6.565 1.00 64.11 C ATOM 1688 C LEU A 103 13.179 -13.296 -7.323 1.00 35.14 C ATOM 1689 O LEU A 103 13.663 -14.290 -6.770 1.00 60.11 O ATOM 1690 CB LEU A 103 12.832 -12.066 -5.174 1.00 43.44 C ATOM 1691 CG LEU A 103 12.134 -10.958 -4.365 1.00 21.34 C ATOM 1692 CD1 LEU A 103 12.163 -9.637 -5.124 1.00 4.54 C ATOM 1693 CD2 LEU A 103 10.700 -11.354 -4.016 1.00 21.34 C ATOM 0 H LEU A 103 10.707 -13.340 -5.526 1.00 15.44 H new ATOM 0 HA LEU A 103 12.145 -11.427 -7.113 1.00 64.11 H new ATOM 0 HB2 LEU A 103 12.809 -12.985 -4.588 1.00 43.44 H new ATOM 0 HB3 LEU A 103 13.880 -11.793 -5.296 1.00 43.44 H new ATOM 0 HG LEU A 103 12.681 -10.826 -3.431 1.00 21.34 H new ATOM 0 HD11 LEU A 103 11.664 -8.868 -4.534 1.00 4.54 H new ATOM 0 HD12 LEU A 103 13.197 -9.343 -5.304 1.00 4.54 H new ATOM 0 HD13 LEU A 103 11.648 -9.754 -6.078 1.00 4.54 H new ATOM 0 HD21 LEU A 103 10.230 -10.553 -3.445 1.00 21.34 H new ATOM 0 HD22 LEU A 103 10.136 -11.524 -4.933 1.00 21.34 H new ATOM 0 HD23 LEU A 103 10.709 -12.267 -3.421 1.00 21.34 H new