USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 412 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 Single : A 12 SER OG : rot 28:sc= 0.0356 USER MOD Single : A 13 TYR OH : rot -7:sc= -0.406 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 16 LYS NZ :NH3+ -171:sc= 1.24 (180deg=1.04) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 77:sc= 1.63 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 98:sc= 1.27 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.576 X(o=-0.58,f=-0.79) USER MOD Single : A 60 THR OG1 : rot 72:sc= 1.28 USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 69 GLN : amide:sc=-0.00235 X(o=-0.0024,f=-0.32) USER MOD Single : A 74 SER OG : rot 85:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 158 N SER A 12 12.765 1.033 1.106 1.00 33.44 N ATOM 159 CA SER A 12 13.048 2.134 0.199 1.00 5.41 C ATOM 160 C SER A 12 11.768 2.769 -0.353 1.00 14.35 C ATOM 161 O SER A 12 11.669 4.000 -0.447 1.00 25.23 O ATOM 162 CB SER A 12 13.969 1.677 -0.911 1.00 42.54 C ATOM 163 OG SER A 12 15.229 1.271 -0.385 1.00 11.51 O ATOM 0 HA SER A 12 13.557 2.913 0.767 1.00 5.41 H new ATOM 0 HB2 SER A 12 13.511 0.849 -1.452 1.00 42.54 H new ATOM 0 HB3 SER A 12 14.112 2.486 -1.628 1.00 42.54 H new ATOM 0 HG SER A 12 15.112 0.950 0.533 1.00 11.51 H new ATOM 169 N TYR A 13 10.782 1.936 -0.671 1.00 52.34 N ATOM 170 CA TYR A 13 9.494 2.423 -1.117 1.00 13.11 C ATOM 171 C TYR A 13 8.809 3.208 0.008 1.00 2.50 C ATOM 172 O TYR A 13 8.349 4.335 -0.195 1.00 0.32 O ATOM 173 CB TYR A 13 8.601 1.258 -1.604 1.00 25.43 C ATOM 174 CG TYR A 13 7.163 1.663 -1.877 1.00 25.44 C ATOM 175 CD1 TYR A 13 6.842 2.502 -2.933 1.00 60.20 C ATOM 176 CD2 TYR A 13 6.128 1.215 -1.058 1.00 23.04 C ATOM 177 CE1 TYR A 13 5.538 2.888 -3.162 1.00 43.34 C ATOM 178 CE2 TYR A 13 4.822 1.593 -1.287 1.00 54.33 C ATOM 179 CZ TYR A 13 4.533 2.432 -2.338 1.00 24.10 C ATOM 180 OH TYR A 13 3.234 2.828 -2.557 1.00 35.35 O ATOM 0 H TYR A 13 10.857 0.920 -0.626 1.00 52.34 H new ATOM 0 HA TYR A 13 9.650 3.094 -1.962 1.00 13.11 H new ATOM 0 HB2 TYR A 13 9.030 0.839 -2.514 1.00 25.43 H new ATOM 0 HB3 TYR A 13 8.610 0.467 -0.854 1.00 25.43 H new ATOM 0 HD1 TYR A 13 7.625 2.859 -3.586 1.00 60.20 H new ATOM 0 HD2 TYR A 13 6.353 0.560 -0.229 1.00 23.04 H new ATOM 0 HE1 TYR A 13 5.305 3.547 -3.986 1.00 43.34 H new ATOM 0 HE2 TYR A 13 4.031 1.233 -0.646 1.00 54.33 H new ATOM 0 HH TYR A 13 3.215 3.513 -3.257 1.00 35.35 H new ATOM 190 N VAL A 14 8.789 2.627 1.189 1.00 3.02 N ATOM 191 CA VAL A 14 8.156 3.241 2.340 1.00 22.31 C ATOM 192 C VAL A 14 8.883 4.527 2.775 1.00 12.33 C ATOM 193 O VAL A 14 8.254 5.548 2.982 1.00 30.31 O ATOM 194 CB VAL A 14 8.046 2.251 3.530 1.00 24.24 C ATOM 195 CG1 VAL A 14 7.474 2.952 4.740 1.00 33.33 C ATOM 196 CG2 VAL A 14 7.162 1.068 3.155 1.00 63.41 C ATOM 0 H VAL A 14 9.210 1.718 1.379 1.00 3.02 H new ATOM 0 HA VAL A 14 7.147 3.514 2.032 1.00 22.31 H new ATOM 0 HB VAL A 14 9.045 1.885 3.769 1.00 24.24 H new ATOM 0 HG11 VAL A 14 7.402 2.247 5.568 1.00 33.33 H new ATOM 0 HG12 VAL A 14 8.125 3.779 5.023 1.00 33.33 H new ATOM 0 HG13 VAL A 14 6.482 3.336 4.503 1.00 33.33 H new ATOM 0 HG21 VAL A 14 7.094 0.382 4.000 1.00 63.41 H new ATOM 0 HG22 VAL A 14 6.165 1.426 2.897 1.00 63.41 H new ATOM 0 HG23 VAL A 14 7.593 0.548 2.299 1.00 63.41 H new ATOM 206 N ASN A 15 10.201 4.460 2.864 1.00 74.32 N ATOM 207 CA ASN A 15 11.071 5.540 3.279 1.00 35.53 C ATOM 208 C ASN A 15 10.888 6.760 2.402 1.00 4.05 C ATOM 209 O ASN A 15 10.959 7.907 2.870 1.00 41.12 O ATOM 210 CB ASN A 15 12.475 5.027 3.128 1.00 12.43 C ATOM 211 CG ASN A 15 13.542 5.978 3.531 1.00 12.43 C ATOM 212 OD1 ASN A 15 13.382 6.803 4.428 1.00 61.45 O ATOM 213 ND2 ASN A 15 14.624 5.890 2.863 1.00 44.45 N ATOM 0 H ASN A 15 10.715 3.609 2.637 1.00 74.32 H new ATOM 0 HA ASN A 15 10.846 5.838 4.303 1.00 35.53 H new ATOM 0 HB2 ASN A 15 12.578 4.118 3.720 1.00 12.43 H new ATOM 0 HB3 ASN A 15 12.633 4.749 2.086 1.00 12.43 H new ATOM 0 HD21 ASN A 15 15.401 6.520 3.065 1.00 44.45 H new ATOM 0 HD22 ASN A 15 14.713 5.190 2.127 1.00 44.45 H new ATOM 220 N LYS A 16 10.673 6.505 1.139 1.00 24.10 N ATOM 221 CA LYS A 16 10.433 7.520 0.174 1.00 44.31 C ATOM 222 C LYS A 16 9.138 8.256 0.534 1.00 23.01 C ATOM 223 O LYS A 16 9.105 9.488 0.576 1.00 24.34 O ATOM 224 CB LYS A 16 10.323 6.827 -1.146 1.00 53.41 C ATOM 225 CG LYS A 16 10.255 7.703 -2.348 1.00 70.34 C ATOM 226 CD LYS A 16 10.164 6.840 -3.582 1.00 74.42 C ATOM 227 CE LYS A 16 11.383 5.966 -3.762 1.00 71.21 C ATOM 228 NZ LYS A 16 11.402 5.292 -5.070 1.00 73.32 N ATOM 0 H LYS A 16 10.662 5.561 0.753 1.00 24.10 H new ATOM 0 HA LYS A 16 11.231 8.262 0.141 1.00 44.31 H new ATOM 0 HB2 LYS A 16 11.180 6.162 -1.256 1.00 53.41 H new ATOM 0 HB3 LYS A 16 9.432 6.199 -1.129 1.00 53.41 H new ATOM 0 HG2 LYS A 16 9.389 8.362 -2.285 1.00 70.34 H new ATOM 0 HG3 LYS A 16 11.137 8.341 -2.399 1.00 70.34 H new ATOM 0 HD2 LYS A 16 9.276 6.212 -3.518 1.00 74.42 H new ATOM 0 HD3 LYS A 16 10.043 7.476 -4.459 1.00 74.42 H new ATOM 0 HE2 LYS A 16 12.281 6.574 -3.657 1.00 71.21 H new ATOM 0 HE3 LYS A 16 11.410 5.217 -2.970 1.00 71.21 H new ATOM 0 HZ1 LYS A 16 12.170 4.591 -5.088 1.00 73.32 H new ATOM 0 HZ2 LYS A 16 10.492 4.813 -5.227 1.00 73.32 H new ATOM 0 HZ3 LYS A 16 11.557 5.995 -5.821 1.00 73.32 H new ATOM 242 N ILE A 17 8.105 7.480 0.856 1.00 4.10 N ATOM 243 CA ILE A 17 6.820 7.996 1.280 1.00 73.10 C ATOM 244 C ILE A 17 6.987 8.828 2.552 1.00 70.53 C ATOM 245 O ILE A 17 6.535 9.975 2.613 1.00 70.23 O ATOM 246 CB ILE A 17 5.844 6.834 1.601 1.00 25.41 C ATOM 247 CG1 ILE A 17 5.596 5.941 0.384 1.00 21.42 C ATOM 248 CG2 ILE A 17 4.544 7.365 2.154 1.00 34.44 C ATOM 249 CD1 ILE A 17 4.721 4.740 0.691 1.00 35.23 C ATOM 0 H ILE A 17 8.145 6.461 0.827 1.00 4.10 H new ATOM 0 HA ILE A 17 6.421 8.606 0.469 1.00 73.10 H new ATOM 0 HB ILE A 17 6.316 6.214 2.363 1.00 25.41 H new ATOM 0 HG12 ILE A 17 5.127 6.532 -0.403 1.00 21.42 H new ATOM 0 HG13 ILE A 17 6.553 5.595 -0.005 1.00 21.42 H new ATOM 0 HG21 ILE A 17 3.874 6.533 2.372 1.00 34.44 H new ATOM 0 HG22 ILE A 17 4.739 7.923 3.070 1.00 34.44 H new ATOM 0 HG23 ILE A 17 4.078 8.023 1.420 1.00 34.44 H new ATOM 0 HD11 ILE A 17 4.584 4.148 -0.214 1.00 35.23 H new ATOM 0 HD12 ILE A 17 5.199 4.128 1.456 1.00 35.23 H new ATOM 0 HD13 ILE A 17 3.750 5.080 1.052 1.00 35.23 H new ATOM 261 N LYS A 18 7.667 8.232 3.547 1.00 12.24 N ATOM 262 CA LYS A 18 7.890 8.824 4.861 1.00 33.45 C ATOM 263 C LYS A 18 8.395 10.256 4.750 1.00 13.22 C ATOM 264 O LYS A 18 7.848 11.134 5.339 1.00 63.44 O ATOM 265 CB LYS A 18 8.924 8.007 5.634 1.00 2.15 C ATOM 266 CG LYS A 18 8.569 6.549 5.816 1.00 62.43 C ATOM 267 CD LYS A 18 9.592 5.803 6.617 1.00 13.51 C ATOM 268 CE LYS A 18 9.463 6.207 8.020 1.00 25.10 C ATOM 269 NZ LYS A 18 10.366 5.469 8.916 1.00 65.41 N ATOM 0 H LYS A 18 8.082 7.306 3.450 1.00 12.24 H new ATOM 0 HA LYS A 18 6.934 8.824 5.384 1.00 33.45 H new ATOM 0 HB2 LYS A 18 9.880 8.072 5.115 1.00 2.15 H new ATOM 0 HB3 LYS A 18 9.063 8.458 6.616 1.00 2.15 H new ATOM 0 HG2 LYS A 18 7.600 6.474 6.310 1.00 62.43 H new ATOM 0 HG3 LYS A 18 8.465 6.079 4.838 1.00 62.43 H new ATOM 0 HD2 LYS A 18 9.443 4.728 6.516 1.00 13.51 H new ATOM 0 HD3 LYS A 18 10.595 6.021 6.250 1.00 13.51 H new ATOM 0 HE2 LYS A 18 9.668 7.274 8.105 1.00 25.10 H new ATOM 0 HE3 LYS A 18 8.434 6.053 8.343 1.00 25.10 H new ATOM 0 HZ1 LYS A 18 10.230 5.797 9.893 1.00 65.41 H new ATOM 0 HZ2 LYS A 18 10.156 4.452 8.860 1.00 65.41 H new ATOM 0 HZ3 LYS A 18 11.352 5.635 8.629 1.00 65.41 H new ATOM 283 N THR A 19 9.423 10.455 3.951 1.00 64.10 N ATOM 284 CA THR A 19 10.040 11.731 3.740 1.00 23.14 C ATOM 285 C THR A 19 9.128 12.700 2.951 1.00 35.33 C ATOM 286 O THR A 19 9.085 13.901 3.223 1.00 45.10 O ATOM 287 CB THR A 19 11.339 11.457 2.968 1.00 14.33 C ATOM 288 OG1 THR A 19 12.334 10.853 3.808 1.00 14.12 O ATOM 289 CG2 THR A 19 11.865 12.656 2.241 1.00 64.24 C ATOM 0 H THR A 19 9.860 9.703 3.417 1.00 64.10 H new ATOM 0 HA THR A 19 10.232 12.219 4.695 1.00 23.14 H new ATOM 0 HB THR A 19 11.083 10.737 2.191 1.00 14.33 H new ATOM 0 HG1 THR A 19 13.147 10.690 3.286 1.00 14.12 H new ATOM 0 HG21 THR A 19 12.784 12.390 1.718 1.00 64.24 H new ATOM 0 HG22 THR A 19 11.123 12.999 1.520 1.00 64.24 H new ATOM 0 HG23 THR A 19 12.072 13.453 2.955 1.00 64.24 H new ATOM 297 N ARG A 20 8.397 12.180 2.021 1.00 11.40 N ATOM 298 CA ARG A 20 7.585 12.992 1.139 1.00 50.40 C ATOM 299 C ARG A 20 6.321 13.504 1.792 1.00 41.25 C ATOM 300 O ARG A 20 5.719 14.473 1.331 1.00 23.43 O ATOM 301 CB ARG A 20 7.319 12.224 -0.134 1.00 20.02 C ATOM 302 CG ARG A 20 8.540 12.172 -1.068 1.00 4.13 C ATOM 303 CD ARG A 20 8.766 13.482 -1.835 1.00 14.13 C ATOM 304 NE ARG A 20 9.059 14.649 -0.975 1.00 62.21 N ATOM 305 CZ ARG A 20 8.794 15.925 -1.314 1.00 20.31 C ATOM 306 NH1 ARG A 20 8.310 16.211 -2.520 1.00 44.15 N ATOM 307 NH2 ARG A 20 9.032 16.908 -0.455 1.00 44.20 N ATOM 0 H ARG A 20 8.337 11.178 1.841 1.00 11.40 H new ATOM 0 HA ARG A 20 8.143 13.896 0.894 1.00 50.40 H new ATOM 0 HB2 ARG A 20 7.017 11.207 0.117 1.00 20.02 H new ATOM 0 HB3 ARG A 20 6.483 12.684 -0.662 1.00 20.02 H new ATOM 0 HG2 ARG A 20 9.430 11.943 -0.481 1.00 4.13 H new ATOM 0 HG3 ARG A 20 8.410 11.358 -1.781 1.00 4.13 H new ATOM 0 HD2 ARG A 20 9.592 13.343 -2.532 1.00 14.13 H new ATOM 0 HD3 ARG A 20 7.879 13.698 -2.431 1.00 14.13 H new ATOM 0 HE ARG A 20 9.490 14.476 -0.067 1.00 62.21 H new ATOM 0 HH11 ARG A 20 8.138 15.462 -3.191 1.00 44.15 H new ATOM 0 HH12 ARG A 20 8.110 17.179 -2.773 1.00 44.15 H new ATOM 0 HH21 ARG A 20 9.417 16.698 0.466 1.00 44.20 H new ATOM 0 HH22 ARG A 20 8.830 17.873 -0.716 1.00 44.20 H new ATOM 321 N PHE A 21 5.937 12.861 2.848 1.00 35.22 N ATOM 322 CA PHE A 21 4.766 13.226 3.610 1.00 13.40 C ATOM 323 C PHE A 21 5.169 13.255 5.071 1.00 21.03 C ATOM 324 O PHE A 21 4.387 12.966 5.971 1.00 21.34 O ATOM 325 CB PHE A 21 3.665 12.199 3.359 1.00 64.05 C ATOM 326 CG PHE A 21 3.269 12.097 1.906 1.00 32.44 C ATOM 327 CD1 PHE A 21 2.307 12.936 1.376 1.00 2.42 C ATOM 328 CD2 PHE A 21 3.854 11.152 1.075 1.00 23.11 C ATOM 329 CE1 PHE A 21 1.935 12.838 0.054 1.00 15.02 C ATOM 330 CE2 PHE A 21 3.491 11.044 -0.238 1.00 2.13 C ATOM 331 CZ PHE A 21 2.525 11.891 -0.757 1.00 31.43 C ATOM 0 H PHE A 21 6.432 12.050 3.219 1.00 35.22 H new ATOM 0 HA PHE A 21 4.383 14.203 3.317 1.00 13.40 H new ATOM 0 HB2 PHE A 21 4.002 11.222 3.707 1.00 64.05 H new ATOM 0 HB3 PHE A 21 2.788 12.463 3.950 1.00 64.05 H new ATOM 0 HD1 PHE A 21 1.841 13.678 2.007 1.00 2.42 H new ATOM 0 HD2 PHE A 21 4.609 10.490 1.473 1.00 23.11 H new ATOM 0 HE1 PHE A 21 1.183 13.501 -0.347 1.00 15.02 H new ATOM 0 HE2 PHE A 21 3.956 10.301 -0.869 1.00 2.13 H new ATOM 0 HZ PHE A 21 2.235 11.810 -1.794 1.00 31.43 H new ATOM 341 N LEU A 22 6.401 13.683 5.270 1.00 33.32 N ATOM 342 CA LEU A 22 7.087 13.676 6.555 1.00 5.33 C ATOM 343 C LEU A 22 6.398 14.565 7.594 1.00 53.34 C ATOM 344 O LEU A 22 6.440 14.287 8.793 1.00 1.41 O ATOM 345 CB LEU A 22 8.543 14.132 6.330 1.00 44.13 C ATOM 346 CG LEU A 22 9.660 13.302 6.931 1.00 13.05 C ATOM 347 CD1 LEU A 22 10.999 13.980 6.721 1.00 52.21 C ATOM 348 CD2 LEU A 22 9.419 13.045 8.362 1.00 55.42 C ATOM 0 H LEU A 22 6.975 14.059 4.516 1.00 33.32 H new ATOM 0 HA LEU A 22 7.060 12.663 6.957 1.00 5.33 H new ATOM 0 HB2 LEU A 22 8.711 14.186 5.254 1.00 44.13 H new ATOM 0 HB3 LEU A 22 8.637 15.146 6.719 1.00 44.13 H new ATOM 0 HG LEU A 22 9.680 12.340 6.420 1.00 13.05 H new ATOM 0 HD11 LEU A 22 11.789 13.370 7.159 1.00 52.21 H new ATOM 0 HD12 LEU A 22 11.183 14.099 5.653 1.00 52.21 H new ATOM 0 HD13 LEU A 22 10.990 14.959 7.199 1.00 52.21 H new ATOM 0 HD21 LEU A 22 10.236 12.448 8.767 1.00 55.42 H new ATOM 0 HD22 LEU A 22 9.362 13.993 8.897 1.00 55.42 H new ATOM 0 HD23 LEU A 22 8.480 12.504 8.481 1.00 55.42 H new ATOM 360 N ASP A 23 5.743 15.603 7.142 1.00 22.12 N ATOM 361 CA ASP A 23 5.099 16.540 8.056 1.00 62.20 C ATOM 362 C ASP A 23 3.638 16.166 8.243 1.00 5.22 C ATOM 363 O ASP A 23 2.914 16.769 9.034 1.00 52.13 O ATOM 364 CB ASP A 23 5.219 17.982 7.526 1.00 15.13 C ATOM 365 CG ASP A 23 4.782 19.032 8.539 1.00 3.40 C ATOM 366 OD1 ASP A 23 5.484 19.203 9.576 1.00 62.52 O ATOM 367 OD2 ASP A 23 3.755 19.692 8.336 1.00 5.24 O ATOM 0 H ASP A 23 5.636 15.829 6.153 1.00 22.12 H new ATOM 0 HA ASP A 23 5.603 16.486 9.021 1.00 62.20 H new ATOM 0 HB2 ASP A 23 6.253 18.172 7.239 1.00 15.13 H new ATOM 0 HB3 ASP A 23 4.614 18.082 6.625 1.00 15.13 H new ATOM 372 N HIS A 24 3.214 15.140 7.548 1.00 14.33 N ATOM 373 CA HIS A 24 1.830 14.741 7.570 1.00 53.22 C ATOM 374 C HIS A 24 1.679 13.293 7.992 1.00 61.24 C ATOM 375 O HIS A 24 1.637 12.390 7.143 1.00 0.31 O ATOM 376 CB HIS A 24 1.183 14.958 6.205 1.00 2.12 C ATOM 377 CG HIS A 24 1.087 16.388 5.781 1.00 23.21 C ATOM 378 ND1 HIS A 24 2.094 17.075 5.144 1.00 22.22 N ATOM 379 CD2 HIS A 24 0.073 17.261 5.920 1.00 72.30 C ATOM 380 CE1 HIS A 24 1.674 18.319 4.924 1.00 74.44 C ATOM 381 NE2 HIS A 24 0.445 18.490 5.376 1.00 23.23 N ATOM 0 H HIS A 24 3.812 14.563 6.957 1.00 14.33 H new ATOM 0 HA HIS A 24 1.321 15.365 8.305 1.00 53.22 H new ATOM 0 HB2 HIS A 24 1.753 14.408 5.456 1.00 2.12 H new ATOM 0 HB3 HIS A 24 0.181 14.529 6.221 1.00 2.12 H new ATOM 0 HD2 HIS A 24 -0.880 17.044 6.381 1.00 72.30 H new ATOM 0 HE1 HIS A 24 2.260 19.086 4.440 1.00 74.44 H new ATOM 0 HE2 HIS A 24 -0.115 19.342 5.336 1.00 23.23 H new ATOM 389 N PRO A 25 1.590 13.034 9.309 1.00 72.45 N ATOM 390 CA PRO A 25 1.465 11.677 9.834 1.00 15.54 C ATOM 391 C PRO A 25 0.194 11.009 9.334 1.00 20.41 C ATOM 392 O PRO A 25 0.200 9.839 8.996 1.00 72.20 O ATOM 393 CB PRO A 25 1.404 11.875 11.357 1.00 73.10 C ATOM 394 CG PRO A 25 1.998 13.219 11.589 1.00 41.14 C ATOM 395 CD PRO A 25 1.616 14.037 10.396 1.00 62.35 C ATOM 0 HA PRO A 25 2.287 11.034 9.519 1.00 15.54 H new ATOM 0 HB2 PRO A 25 0.378 11.828 11.721 1.00 73.10 H new ATOM 0 HB3 PRO A 25 1.964 11.099 11.880 1.00 73.10 H new ATOM 0 HG2 PRO A 25 1.616 13.663 12.508 1.00 41.14 H new ATOM 0 HG3 PRO A 25 3.081 13.157 11.691 1.00 41.14 H new ATOM 0 HD2 PRO A 25 0.646 14.517 10.528 1.00 62.35 H new ATOM 0 HD3 PRO A 25 2.339 14.829 10.199 1.00 62.35 H new ATOM 403 N GLU A 26 -0.872 11.803 9.217 1.00 4.14 N ATOM 404 CA GLU A 26 -2.189 11.335 8.810 1.00 12.35 C ATOM 405 C GLU A 26 -2.170 10.709 7.396 1.00 61.41 C ATOM 406 O GLU A 26 -2.886 9.762 7.138 1.00 4.03 O ATOM 407 CB GLU A 26 -3.176 12.502 8.856 1.00 10.25 C ATOM 408 CG GLU A 26 -2.932 13.554 7.798 1.00 1.31 C ATOM 409 CD GLU A 26 -3.850 14.733 7.912 1.00 2.13 C ATOM 410 OE1 GLU A 26 -5.072 14.570 7.754 1.00 64.40 O ATOM 411 OE2 GLU A 26 -3.371 15.853 8.182 1.00 42.00 O ATOM 0 H GLU A 26 -0.839 12.805 9.407 1.00 4.14 H new ATOM 0 HA GLU A 26 -2.501 10.555 9.504 1.00 12.35 H new ATOM 0 HB2 GLU A 26 -4.188 12.114 8.741 1.00 10.25 H new ATOM 0 HB3 GLU A 26 -3.124 12.970 9.839 1.00 10.25 H new ATOM 0 HG2 GLU A 26 -1.900 13.898 7.868 1.00 1.31 H new ATOM 0 HG3 GLU A 26 -3.051 13.103 6.813 1.00 1.31 H new ATOM 418 N ILE A 27 -1.330 11.231 6.510 1.00 64.11 N ATOM 419 CA ILE A 27 -1.235 10.736 5.146 1.00 24.52 C ATOM 420 C ILE A 27 -0.595 9.363 5.131 1.00 1.15 C ATOM 421 O ILE A 27 -1.107 8.432 4.504 1.00 53.31 O ATOM 422 CB ILE A 27 -0.446 11.736 4.275 1.00 21.14 C ATOM 423 CG1 ILE A 27 -1.245 13.046 4.207 1.00 63.24 C ATOM 424 CG2 ILE A 27 -0.159 11.177 2.881 1.00 4.05 C ATOM 425 CD1 ILE A 27 -0.655 14.093 3.310 1.00 63.13 C ATOM 0 H ILE A 27 -0.699 12.005 6.717 1.00 64.11 H new ATOM 0 HA ILE A 27 -2.237 10.641 4.727 1.00 24.52 H new ATOM 0 HB ILE A 27 0.528 11.922 4.727 1.00 21.14 H new ATOM 0 HG12 ILE A 27 -2.256 12.822 3.866 1.00 63.24 H new ATOM 0 HG13 ILE A 27 -1.332 13.456 5.213 1.00 63.24 H new ATOM 0 HG21 ILE A 27 0.398 11.913 2.301 1.00 4.05 H new ATOM 0 HG22 ILE A 27 0.430 10.264 2.969 1.00 4.05 H new ATOM 0 HG23 ILE A 27 -1.100 10.955 2.377 1.00 4.05 H new ATOM 0 HD11 ILE A 27 -1.286 14.982 3.324 1.00 63.13 H new ATOM 0 HD12 ILE A 27 0.344 14.351 3.660 1.00 63.13 H new ATOM 0 HD13 ILE A 27 -0.594 13.708 2.292 1.00 63.13 H new ATOM 437 N TYR A 28 0.486 9.240 5.873 1.00 73.34 N ATOM 438 CA TYR A 28 1.196 7.980 6.030 1.00 42.02 C ATOM 439 C TYR A 28 0.219 6.975 6.655 1.00 72.14 C ATOM 440 O TYR A 28 -0.005 5.878 6.149 1.00 52.01 O ATOM 441 CB TYR A 28 2.370 8.221 6.991 1.00 51.00 C ATOM 442 CG TYR A 28 3.388 7.104 7.080 1.00 64.33 C ATOM 443 CD1 TYR A 28 4.358 6.920 6.092 1.00 12.30 C ATOM 444 CD2 TYR A 28 3.375 6.230 8.149 1.00 74.53 C ATOM 445 CE1 TYR A 28 5.266 5.889 6.184 1.00 65.31 C ATOM 446 CE2 TYR A 28 4.287 5.206 8.248 1.00 62.14 C ATOM 447 CZ TYR A 28 5.224 5.035 7.274 1.00 11.23 C ATOM 448 OH TYR A 28 6.118 3.994 7.380 1.00 11.32 O ATOM 0 H TYR A 28 0.902 10.015 6.389 1.00 73.34 H new ATOM 0 HA TYR A 28 1.567 7.601 5.078 1.00 42.02 H new ATOM 0 HB2 TYR A 28 2.884 9.132 6.685 1.00 51.00 H new ATOM 0 HB3 TYR A 28 1.968 8.401 7.988 1.00 51.00 H new ATOM 0 HD1 TYR A 28 4.396 7.593 5.248 1.00 12.30 H new ATOM 0 HD2 TYR A 28 2.633 6.353 8.924 1.00 74.53 H new ATOM 0 HE1 TYR A 28 6.007 5.747 5.411 1.00 65.31 H new ATOM 0 HE2 TYR A 28 4.261 4.538 9.096 1.00 62.14 H new ATOM 0 HH TYR A 28 5.946 3.498 8.207 1.00 11.32 H new ATOM 458 N ARG A 29 -0.396 7.442 7.713 1.00 31.24 N ATOM 459 CA ARG A 29 -1.353 6.741 8.532 1.00 11.53 C ATOM 460 C ARG A 29 -2.544 6.176 7.730 1.00 54.10 C ATOM 461 O ARG A 29 -2.846 4.989 7.807 1.00 40.45 O ATOM 462 CB ARG A 29 -1.894 7.741 9.460 1.00 44.23 C ATOM 463 CG ARG A 29 -2.646 7.168 10.553 1.00 15.05 C ATOM 464 CD ARG A 29 -3.698 8.106 10.951 1.00 53.11 C ATOM 465 NE ARG A 29 -4.754 8.160 9.927 1.00 75.41 N ATOM 466 CZ ARG A 29 -5.895 7.452 9.961 1.00 50.24 C ATOM 467 NH1 ARG A 29 -6.257 6.797 11.068 1.00 41.44 N ATOM 468 NH2 ARG A 29 -6.681 7.431 8.897 1.00 73.02 N ATOM 0 H ARG A 29 -0.228 8.391 8.048 1.00 31.24 H new ATOM 0 HA ARG A 29 -0.852 5.899 9.010 1.00 11.53 H new ATOM 0 HB2 ARG A 29 -1.072 8.331 9.865 1.00 44.23 H new ATOM 0 HB3 ARG A 29 -2.537 8.427 8.908 1.00 44.23 H new ATOM 0 HG2 ARG A 29 -3.084 6.217 10.251 1.00 15.05 H new ATOM 0 HG3 ARG A 29 -1.987 6.962 11.396 1.00 15.05 H new ATOM 0 HD2 ARG A 29 -4.125 7.800 11.906 1.00 53.11 H new ATOM 0 HD3 ARG A 29 -3.272 9.099 11.096 1.00 53.11 H new ATOM 0 HE ARG A 29 -4.608 8.782 9.132 1.00 75.41 H new ATOM 0 HH11 ARG A 29 -5.665 6.832 11.898 1.00 41.44 H new ATOM 0 HH12 ARG A 29 -7.125 6.262 11.083 1.00 41.44 H new ATOM 0 HH21 ARG A 29 -6.419 7.950 8.059 1.00 73.02 H new ATOM 0 HH22 ARG A 29 -7.549 6.896 8.915 1.00 73.02 H new ATOM 482 N SER A 30 -3.227 7.042 6.991 1.00 10.34 N ATOM 483 CA SER A 30 -4.400 6.651 6.231 1.00 34.13 C ATOM 484 C SER A 30 -4.060 5.659 5.147 1.00 1.02 C ATOM 485 O SER A 30 -4.880 4.851 4.758 1.00 61.44 O ATOM 486 CB SER A 30 -5.110 7.867 5.672 1.00 74.34 C ATOM 487 OG SER A 30 -5.533 8.712 6.728 1.00 24.13 O ATOM 0 H SER A 30 -2.982 8.028 6.904 1.00 10.34 H new ATOM 0 HA SER A 30 -5.085 6.149 6.915 1.00 34.13 H new ATOM 0 HB2 SER A 30 -4.443 8.412 5.004 1.00 74.34 H new ATOM 0 HB3 SER A 30 -5.970 7.555 5.079 1.00 74.34 H new ATOM 0 HG SER A 30 -4.766 9.216 7.071 1.00 24.13 H new ATOM 493 N PHE A 31 -2.868 5.725 4.642 1.00 24.03 N ATOM 494 CA PHE A 31 -2.453 4.742 3.705 1.00 0.24 C ATOM 495 C PHE A 31 -2.159 3.414 4.406 1.00 2.23 C ATOM 496 O PHE A 31 -2.497 2.338 3.894 1.00 45.14 O ATOM 497 CB PHE A 31 -1.291 5.225 2.859 1.00 55.13 C ATOM 498 CG PHE A 31 -0.555 4.090 2.237 1.00 71.32 C ATOM 499 CD1 PHE A 31 -1.079 3.435 1.142 1.00 2.51 C ATOM 500 CD2 PHE A 31 0.628 3.634 2.795 1.00 43.21 C ATOM 501 CE1 PHE A 31 -0.442 2.354 0.601 1.00 23.32 C ATOM 502 CE2 PHE A 31 1.280 2.546 2.267 1.00 12.22 C ATOM 503 CZ PHE A 31 0.745 1.897 1.163 1.00 21.05 C ATOM 0 H PHE A 31 -2.176 6.442 4.862 1.00 24.03 H new ATOM 0 HA PHE A 31 -3.276 4.565 3.013 1.00 0.24 H new ATOM 0 HB2 PHE A 31 -1.660 5.891 2.079 1.00 55.13 H new ATOM 0 HB3 PHE A 31 -0.608 5.807 3.477 1.00 55.13 H new ATOM 0 HD1 PHE A 31 -2.005 3.781 0.707 1.00 2.51 H new ATOM 0 HD2 PHE A 31 1.042 4.139 3.655 1.00 43.21 H new ATOM 0 HE1 PHE A 31 -0.860 1.856 -0.261 1.00 23.32 H new ATOM 0 HE2 PHE A 31 2.202 2.198 2.708 1.00 12.22 H new ATOM 0 HZ PHE A 31 1.249 1.040 0.742 1.00 21.05 H new ATOM 513 N LEU A 32 -1.537 3.494 5.562 1.00 2.35 N ATOM 514 CA LEU A 32 -1.254 2.331 6.381 1.00 32.51 C ATOM 515 C LEU A 32 -2.524 1.566 6.696 1.00 42.12 C ATOM 516 O LEU A 32 -2.531 0.323 6.708 1.00 3.33 O ATOM 517 CB LEU A 32 -0.594 2.769 7.672 1.00 50.15 C ATOM 518 CG LEU A 32 0.808 3.319 7.579 1.00 0.34 C ATOM 519 CD1 LEU A 32 1.277 3.667 8.959 1.00 14.20 C ATOM 520 CD2 LEU A 32 1.763 2.334 6.897 1.00 10.22 C ATOM 0 H LEU A 32 -1.210 4.373 5.964 1.00 2.35 H new ATOM 0 HA LEU A 32 -0.585 1.674 5.826 1.00 32.51 H new ATOM 0 HB2 LEU A 32 -1.225 3.529 8.133 1.00 50.15 H new ATOM 0 HB3 LEU A 32 -0.577 1.915 8.349 1.00 50.15 H new ATOM 0 HG LEU A 32 0.800 4.215 6.958 1.00 0.34 H new ATOM 0 HD11 LEU A 32 2.290 4.066 8.909 1.00 14.20 H new ATOM 0 HD12 LEU A 32 0.613 4.415 9.391 1.00 14.20 H new ATOM 0 HD13 LEU A 32 1.270 2.773 9.582 1.00 14.20 H new ATOM 0 HD21 LEU A 32 2.762 2.769 6.850 1.00 10.22 H new ATOM 0 HD22 LEU A 32 1.797 1.406 7.468 1.00 10.22 H new ATOM 0 HD23 LEU A 32 1.410 2.126 5.887 1.00 10.22 H new ATOM 532 N GLU A 33 -3.604 2.304 6.912 1.00 11.51 N ATOM 533 CA GLU A 33 -4.876 1.703 7.213 1.00 44.24 C ATOM 534 C GLU A 33 -5.356 0.880 6.004 1.00 35.13 C ATOM 535 O GLU A 33 -5.928 -0.182 6.170 1.00 74.33 O ATOM 536 CB GLU A 33 -5.918 2.775 7.631 1.00 63.53 C ATOM 537 CG GLU A 33 -6.764 3.362 6.503 1.00 71.11 C ATOM 538 CD GLU A 33 -7.759 4.395 6.977 1.00 64.12 C ATOM 539 OE1 GLU A 33 -8.741 4.027 7.659 1.00 2.05 O ATOM 540 OE2 GLU A 33 -7.605 5.585 6.659 1.00 31.13 O ATOM 0 H GLU A 33 -3.614 3.324 6.882 1.00 11.51 H new ATOM 0 HA GLU A 33 -4.760 1.031 8.063 1.00 44.24 H new ATOM 0 HB2 GLU A 33 -6.588 2.334 8.369 1.00 63.53 H new ATOM 0 HB3 GLU A 33 -5.392 3.591 8.126 1.00 63.53 H new ATOM 0 HG2 GLU A 33 -6.105 3.815 5.762 1.00 71.11 H new ATOM 0 HG3 GLU A 33 -7.299 2.555 6.002 1.00 71.11 H new ATOM 547 N ILE A 34 -5.042 1.361 4.792 1.00 1.10 N ATOM 548 CA ILE A 34 -5.416 0.723 3.557 1.00 52.13 C ATOM 549 C ILE A 34 -4.645 -0.559 3.382 1.00 63.32 C ATOM 550 O ILE A 34 -5.208 -1.573 3.027 1.00 13.44 O ATOM 551 CB ILE A 34 -5.122 1.655 2.359 1.00 11.52 C ATOM 552 CG1 ILE A 34 -5.906 2.945 2.502 1.00 42.40 C ATOM 553 CG2 ILE A 34 -5.437 0.968 1.037 1.00 43.22 C ATOM 554 CD1 ILE A 34 -5.529 3.998 1.500 1.00 5.13 C ATOM 0 H ILE A 34 -4.511 2.221 4.659 1.00 1.10 H new ATOM 0 HA ILE A 34 -6.484 0.507 3.594 1.00 52.13 H new ATOM 0 HB ILE A 34 -4.058 1.892 2.358 1.00 11.52 H new ATOM 0 HG12 ILE A 34 -6.969 2.726 2.402 1.00 42.40 H new ATOM 0 HG13 ILE A 34 -5.755 3.342 3.506 1.00 42.40 H new ATOM 0 HG21 ILE A 34 -5.220 1.648 0.213 1.00 43.22 H new ATOM 0 HG22 ILE A 34 -4.825 0.071 0.938 1.00 43.22 H new ATOM 0 HG23 ILE A 34 -6.491 0.692 1.012 1.00 43.22 H new ATOM 0 HD11 ILE A 34 -6.132 4.891 1.666 1.00 5.13 H new ATOM 0 HD12 ILE A 34 -4.474 4.247 1.613 1.00 5.13 H new ATOM 0 HD13 ILE A 34 -5.707 3.622 0.493 1.00 5.13 H new ATOM 566 N LEU A 35 -3.361 -0.519 3.653 1.00 12.13 N ATOM 567 CA LEU A 35 -2.528 -1.670 3.475 1.00 13.12 C ATOM 568 C LEU A 35 -2.940 -2.769 4.466 1.00 43.02 C ATOM 569 O LEU A 35 -3.031 -3.930 4.086 1.00 23.23 O ATOM 570 CB LEU A 35 -1.071 -1.256 3.637 1.00 62.11 C ATOM 571 CG LEU A 35 -0.022 -2.006 2.799 1.00 72.55 C ATOM 572 CD1 LEU A 35 0.088 -3.479 3.171 1.00 31.33 C ATOM 573 CD2 LEU A 35 -0.304 -1.851 1.306 1.00 12.41 C ATOM 0 H LEU A 35 -2.874 0.308 4.000 1.00 12.13 H new ATOM 0 HA LEU A 35 -2.650 -2.082 2.473 1.00 13.12 H new ATOM 0 HB2 LEU A 35 -0.995 -0.195 3.400 1.00 62.11 H new ATOM 0 HB3 LEU A 35 -0.804 -1.368 4.688 1.00 62.11 H new ATOM 0 HG LEU A 35 0.941 -1.548 3.027 1.00 72.55 H new ATOM 0 HD11 LEU A 35 0.843 -3.956 2.547 1.00 31.33 H new ATOM 0 HD12 LEU A 35 0.373 -3.569 4.219 1.00 31.33 H new ATOM 0 HD13 LEU A 35 -0.874 -3.967 3.014 1.00 31.33 H new ATOM 0 HD21 LEU A 35 0.452 -2.390 0.735 1.00 12.41 H new ATOM 0 HD22 LEU A 35 -1.290 -2.257 1.078 1.00 12.41 H new ATOM 0 HD23 LEU A 35 -0.276 -0.795 1.038 1.00 12.41 H new ATOM 585 N HIS A 36 -3.247 -2.394 5.711 1.00 3.52 N ATOM 586 CA HIS A 36 -3.719 -3.384 6.681 1.00 53.10 C ATOM 587 C HIS A 36 -5.086 -3.920 6.243 1.00 30.52 C ATOM 588 O HIS A 36 -5.352 -5.113 6.325 1.00 22.54 O ATOM 589 CB HIS A 36 -3.789 -2.819 8.110 1.00 4.42 C ATOM 590 CG HIS A 36 -4.160 -3.864 9.131 1.00 23.51 C ATOM 591 ND1 HIS A 36 -5.284 -3.813 9.932 1.00 32.51 N ATOM 592 CD2 HIS A 36 -3.521 -5.013 9.457 1.00 0.43 C ATOM 593 CE1 HIS A 36 -5.292 -4.907 10.699 1.00 32.41 C ATOM 594 NE2 HIS A 36 -4.237 -5.673 10.448 1.00 63.44 N ATOM 0 H HIS A 36 -3.180 -1.439 6.064 1.00 3.52 H new ATOM 0 HA HIS A 36 -2.996 -4.199 6.704 1.00 53.10 H new ATOM 0 HB2 HIS A 36 -2.824 -2.387 8.373 1.00 4.42 H new ATOM 0 HB3 HIS A 36 -4.520 -2.011 8.141 1.00 4.42 H new ATOM 0 HD2 HIS A 36 -2.599 -5.362 9.016 1.00 0.43 H new ATOM 0 HE1 HIS A 36 -6.056 -5.138 11.427 1.00 32.41 H new ATOM 0 HE2 HIS A 36 -4.001 -6.561 10.891 1.00 63.44 H new ATOM 602 N THR A 37 -5.918 -3.026 5.761 1.00 22.10 N ATOM 603 CA THR A 37 -7.212 -3.359 5.186 1.00 1.32 C ATOM 604 C THR A 37 -7.039 -4.351 4.018 1.00 53.13 C ATOM 605 O THR A 37 -7.807 -5.294 3.858 1.00 32.11 O ATOM 606 CB THR A 37 -7.857 -2.050 4.688 1.00 40.22 C ATOM 607 OG1 THR A 37 -8.281 -1.259 5.785 1.00 22.01 O ATOM 608 CG2 THR A 37 -8.971 -2.245 3.695 1.00 21.23 C ATOM 0 H THR A 37 -5.716 -2.026 5.755 1.00 22.10 H new ATOM 0 HA THR A 37 -7.848 -3.833 5.933 1.00 1.32 H new ATOM 0 HB THR A 37 -7.077 -1.522 4.139 1.00 40.22 H new ATOM 0 HG1 THR A 37 -7.603 -0.579 5.980 1.00 22.01 H new ATOM 0 HG21 THR A 37 -9.368 -1.274 3.398 1.00 21.23 H new ATOM 0 HG22 THR A 37 -8.589 -2.765 2.817 1.00 21.23 H new ATOM 0 HG23 THR A 37 -9.765 -2.837 4.150 1.00 21.23 H new ATOM 616 N TYR A 38 -6.020 -4.132 3.237 1.00 31.43 N ATOM 617 CA TYR A 38 -5.722 -4.963 2.121 1.00 24.53 C ATOM 618 C TYR A 38 -5.215 -6.335 2.603 1.00 42.51 C ATOM 619 O TYR A 38 -5.467 -7.369 1.978 1.00 21.34 O ATOM 620 CB TYR A 38 -4.713 -4.260 1.214 1.00 52.04 C ATOM 621 CG TYR A 38 -4.581 -4.911 -0.096 1.00 31.34 C ATOM 622 CD1 TYR A 38 -5.517 -4.658 -1.055 1.00 12.12 C ATOM 623 CD2 TYR A 38 -3.564 -5.796 -0.366 1.00 21.13 C ATOM 624 CE1 TYR A 38 -5.457 -5.270 -2.302 1.00 24.24 C ATOM 625 CE2 TYR A 38 -3.485 -6.429 -1.592 1.00 42.10 C ATOM 626 CZ TYR A 38 -4.436 -6.160 -2.563 1.00 72.21 C ATOM 627 OH TYR A 38 -4.368 -6.796 -3.782 1.00 52.33 O ATOM 0 H TYR A 38 -5.368 -3.358 3.365 1.00 31.43 H new ATOM 0 HA TYR A 38 -6.626 -5.140 1.538 1.00 24.53 H new ATOM 0 HB2 TYR A 38 -5.019 -3.224 1.071 1.00 52.04 H new ATOM 0 HB3 TYR A 38 -3.740 -4.240 1.705 1.00 52.04 H new ATOM 0 HD1 TYR A 38 -6.321 -3.969 -0.842 1.00 12.12 H new ATOM 0 HD2 TYR A 38 -2.818 -5.999 0.389 1.00 21.13 H new ATOM 0 HE1 TYR A 38 -6.199 -5.052 -3.056 1.00 24.24 H new ATOM 0 HE2 TYR A 38 -2.687 -7.129 -1.792 1.00 42.10 H new ATOM 0 HH TYR A 38 -3.587 -7.388 -3.799 1.00 52.33 H new ATOM 637 N GLN A 39 -4.529 -6.335 3.734 1.00 22.52 N ATOM 638 CA GLN A 39 -4.056 -7.562 4.357 1.00 62.11 C ATOM 639 C GLN A 39 -5.217 -8.360 4.928 1.00 14.40 C ATOM 640 O GLN A 39 -5.117 -9.563 5.110 1.00 42.12 O ATOM 641 CB GLN A 39 -3.004 -7.296 5.428 1.00 4.54 C ATOM 642 CG GLN A 39 -1.701 -6.723 4.888 1.00 40.34 C ATOM 643 CD GLN A 39 -1.054 -7.597 3.819 1.00 22.34 C ATOM 644 OE1 GLN A 39 -1.196 -8.819 3.812 1.00 14.03 O ATOM 645 NE2 GLN A 39 -0.340 -6.980 2.915 1.00 42.50 N ATOM 0 H GLN A 39 -4.284 -5.487 4.246 1.00 22.52 H new ATOM 0 HA GLN A 39 -3.577 -8.154 3.577 1.00 62.11 H new ATOM 0 HB2 GLN A 39 -3.416 -6.605 6.163 1.00 4.54 H new ATOM 0 HB3 GLN A 39 -2.790 -8.228 5.952 1.00 4.54 H new ATOM 0 HG2 GLN A 39 -1.892 -5.734 4.472 1.00 40.34 H new ATOM 0 HG3 GLN A 39 -1.001 -6.592 5.713 1.00 40.34 H new ATOM 0 HE21 GLN A 39 -0.241 -5.965 2.948 1.00 42.50 H new ATOM 0 HE22 GLN A 39 0.119 -7.513 2.176 1.00 42.50 H new ATOM 904 N GLU A 55 -10.089 -4.610 -4.950 1.00 71.40 N ATOM 905 CA GLU A 55 -8.844 -4.268 -5.625 1.00 65.44 C ATOM 906 C GLU A 55 -8.888 -2.886 -6.282 1.00 53.32 C ATOM 907 O GLU A 55 -7.973 -2.080 -6.110 1.00 34.13 O ATOM 908 CB GLU A 55 -8.618 -5.291 -6.698 1.00 24.14 C ATOM 909 CG GLU A 55 -7.312 -5.159 -7.391 1.00 64.42 C ATOM 910 CD GLU A 55 -7.341 -5.795 -8.742 1.00 51.13 C ATOM 911 OE1 GLU A 55 -7.541 -7.010 -8.840 1.00 55.44 O ATOM 912 OE2 GLU A 55 -7.193 -5.075 -9.748 1.00 53.11 O ATOM 0 HA GLU A 55 -8.046 -4.253 -4.883 1.00 65.44 H new ATOM 0 HB2 GLU A 55 -8.685 -6.286 -6.258 1.00 24.14 H new ATOM 0 HB3 GLU A 55 -9.418 -5.214 -7.434 1.00 24.14 H new ATOM 0 HG2 GLU A 55 -7.057 -4.104 -7.490 1.00 64.42 H new ATOM 0 HG3 GLU A 55 -6.531 -5.621 -6.787 1.00 64.42 H new ATOM 919 N GLU A 56 -9.950 -2.621 -7.008 1.00 1.44 N ATOM 920 CA GLU A 56 -10.086 -1.380 -7.718 1.00 5.44 C ATOM 921 C GLU A 56 -10.184 -0.208 -6.751 1.00 14.12 C ATOM 922 O GLU A 56 -9.590 0.845 -6.977 1.00 44.22 O ATOM 923 CB GLU A 56 -11.295 -1.427 -8.629 1.00 14.52 C ATOM 924 CG GLU A 56 -11.402 -0.234 -9.546 1.00 31.13 C ATOM 925 CD GLU A 56 -12.581 -0.328 -10.447 1.00 64.41 C ATOM 926 OE1 GLU A 56 -12.607 -1.217 -11.314 1.00 73.23 O ATOM 927 OE2 GLU A 56 -13.526 0.474 -10.301 1.00 20.23 O ATOM 0 H GLU A 56 -10.738 -3.259 -7.120 1.00 1.44 H new ATOM 0 HA GLU A 56 -9.196 -1.235 -8.330 1.00 5.44 H new ATOM 0 HB2 GLU A 56 -11.252 -2.335 -9.230 1.00 14.52 H new ATOM 0 HB3 GLU A 56 -12.197 -1.490 -8.020 1.00 14.52 H new ATOM 0 HG2 GLU A 56 -11.473 0.676 -8.950 1.00 31.13 H new ATOM 0 HG3 GLU A 56 -10.494 -0.154 -10.144 1.00 31.13 H new ATOM 934 N GLU A 57 -10.880 -0.406 -5.648 1.00 3.52 N ATOM 935 CA GLU A 57 -11.031 0.647 -4.684 1.00 4.43 C ATOM 936 C GLU A 57 -9.739 0.768 -3.876 1.00 12.44 C ATOM 937 O GLU A 57 -9.373 1.851 -3.457 1.00 73.21 O ATOM 938 CB GLU A 57 -12.268 0.439 -3.815 1.00 0.52 C ATOM 939 CG GLU A 57 -12.035 -0.285 -2.540 1.00 34.10 C ATOM 940 CD GLU A 57 -13.297 -0.583 -1.806 1.00 13.44 C ATOM 941 OE1 GLU A 57 -13.797 0.272 -1.070 1.00 24.00 O ATOM 942 OE2 GLU A 57 -13.821 -1.691 -1.963 1.00 5.51 O ATOM 0 H GLU A 57 -11.343 -1.282 -5.405 1.00 3.52 H new ATOM 0 HA GLU A 57 -11.199 1.595 -5.195 1.00 4.43 H new ATOM 0 HB2 GLU A 57 -12.699 1.414 -3.586 1.00 0.52 H new ATOM 0 HB3 GLU A 57 -13.010 -0.110 -4.395 1.00 0.52 H new ATOM 0 HG2 GLU A 57 -11.512 -1.218 -2.748 1.00 34.10 H new ATOM 0 HG3 GLU A 57 -11.382 0.311 -1.903 1.00 34.10 H new ATOM 949 N VAL A 58 -9.029 -0.362 -3.730 1.00 44.34 N ATOM 950 CA VAL A 58 -7.734 -0.409 -3.112 1.00 23.35 C ATOM 951 C VAL A 58 -6.796 0.510 -3.879 1.00 74.32 C ATOM 952 O VAL A 58 -6.211 1.444 -3.328 1.00 31.10 O ATOM 953 CB VAL A 58 -7.165 -1.858 -3.168 1.00 32.10 C ATOM 954 CG1 VAL A 58 -5.723 -1.890 -2.810 1.00 61.12 C ATOM 955 CG2 VAL A 58 -7.940 -2.802 -2.274 1.00 3.02 C ATOM 0 H VAL A 58 -9.361 -1.272 -4.049 1.00 44.34 H new ATOM 0 HA VAL A 58 -7.820 -0.095 -2.072 1.00 23.35 H new ATOM 0 HB VAL A 58 -7.275 -2.196 -4.198 1.00 32.10 H new ATOM 0 HG11 VAL A 58 -5.359 -2.916 -2.859 1.00 61.12 H new ATOM 0 HG12 VAL A 58 -5.161 -1.271 -3.509 1.00 61.12 H new ATOM 0 HG13 VAL A 58 -5.591 -1.506 -1.798 1.00 61.12 H new ATOM 0 HG21 VAL A 58 -7.511 -3.802 -2.342 1.00 3.02 H new ATOM 0 HG22 VAL A 58 -7.886 -2.453 -1.243 1.00 3.02 H new ATOM 0 HG23 VAL A 58 -8.982 -2.832 -2.593 1.00 3.02 H new ATOM 965 N PHE A 59 -6.737 0.260 -5.170 1.00 12.15 N ATOM 966 CA PHE A 59 -5.903 0.980 -6.105 1.00 11.25 C ATOM 967 C PHE A 59 -6.270 2.467 -6.093 1.00 73.12 C ATOM 968 O PHE A 59 -5.392 3.342 -6.193 1.00 2.12 O ATOM 969 CB PHE A 59 -6.107 0.353 -7.496 1.00 2.02 C ATOM 970 CG PHE A 59 -5.210 0.846 -8.591 1.00 23.42 C ATOM 971 CD1 PHE A 59 -3.908 0.388 -8.689 1.00 71.34 C ATOM 972 CD2 PHE A 59 -5.679 1.733 -9.544 1.00 30.04 C ATOM 973 CE1 PHE A 59 -3.090 0.809 -9.714 1.00 11.41 C ATOM 974 CE2 PHE A 59 -4.864 2.162 -10.570 1.00 4.40 C ATOM 975 CZ PHE A 59 -3.568 1.698 -10.656 1.00 73.51 C ATOM 0 H PHE A 59 -7.288 -0.476 -5.611 1.00 12.15 H new ATOM 0 HA PHE A 59 -4.851 0.908 -5.829 1.00 11.25 H new ATOM 0 HB2 PHE A 59 -5.975 -0.725 -7.407 1.00 2.02 H new ATOM 0 HB3 PHE A 59 -7.140 0.524 -7.799 1.00 2.02 H new ATOM 0 HD1 PHE A 59 -3.529 -0.307 -7.954 1.00 71.34 H new ATOM 0 HD2 PHE A 59 -6.695 2.093 -9.483 1.00 30.04 H new ATOM 0 HE1 PHE A 59 -2.076 0.444 -9.781 1.00 11.41 H new ATOM 0 HE2 PHE A 59 -5.239 2.859 -11.304 1.00 4.40 H new ATOM 0 HZ PHE A 59 -2.927 2.030 -11.460 1.00 73.51 H new ATOM 985 N THR A 60 -7.554 2.736 -5.917 1.00 12.11 N ATOM 986 CA THR A 60 -8.073 4.030 -5.847 1.00 13.01 C ATOM 987 C THR A 60 -7.640 4.755 -4.560 1.00 21.54 C ATOM 988 O THR A 60 -7.112 5.839 -4.643 1.00 71.12 O ATOM 989 CB THR A 60 -9.594 3.942 -5.926 1.00 71.54 C ATOM 990 OG1 THR A 60 -9.990 3.460 -7.215 1.00 55.25 O ATOM 991 CG2 THR A 60 -10.218 5.256 -5.653 1.00 44.42 C ATOM 0 H THR A 60 -8.263 2.009 -5.819 1.00 12.11 H new ATOM 0 HA THR A 60 -7.682 4.613 -6.681 1.00 13.01 H new ATOM 0 HB THR A 60 -9.937 3.243 -5.164 1.00 71.54 H new ATOM 0 HG1 THR A 60 -9.778 2.506 -7.287 1.00 55.25 H new ATOM 0 HG21 THR A 60 -11.302 5.164 -5.716 1.00 44.42 H new ATOM 0 HG22 THR A 60 -9.940 5.590 -4.654 1.00 44.42 H new ATOM 0 HG23 THR A 60 -9.872 5.983 -6.388 1.00 44.42 H new ATOM 999 N GLU A 61 -7.809 4.128 -3.388 1.00 23.41 N ATOM 1000 CA GLU A 61 -7.538 4.786 -2.118 1.00 1.41 C ATOM 1001 C GLU A 61 -6.075 5.148 -1.975 1.00 25.22 C ATOM 1002 O GLU A 61 -5.725 6.168 -1.390 1.00 62.24 O ATOM 1003 CB GLU A 61 -7.988 3.906 -0.972 1.00 53.12 C ATOM 1004 CG GLU A 61 -9.479 3.748 -0.925 1.00 24.03 C ATOM 1005 CD GLU A 61 -10.186 5.016 -0.549 1.00 13.43 C ATOM 1006 OE1 GLU A 61 -10.426 5.864 -1.421 1.00 64.15 O ATOM 1007 OE2 GLU A 61 -10.545 5.178 0.626 1.00 0.33 O ATOM 0 H GLU A 61 -8.133 3.165 -3.301 1.00 23.41 H new ATOM 0 HA GLU A 61 -8.104 5.717 -2.094 1.00 1.41 H new ATOM 0 HB2 GLU A 61 -7.524 2.924 -1.067 1.00 53.12 H new ATOM 0 HB3 GLU A 61 -7.641 4.333 -0.031 1.00 53.12 H new ATOM 0 HG2 GLU A 61 -9.835 3.414 -1.899 1.00 24.03 H new ATOM 0 HG3 GLU A 61 -9.735 2.968 -0.208 1.00 24.03 H new ATOM 1014 N VAL A 62 -5.229 4.331 -2.547 1.00 54.11 N ATOM 1015 CA VAL A 62 -3.807 4.572 -2.505 1.00 75.14 C ATOM 1016 C VAL A 62 -3.439 5.711 -3.460 1.00 34.32 C ATOM 1017 O VAL A 62 -2.646 6.591 -3.117 1.00 32.21 O ATOM 1018 CB VAL A 62 -3.020 3.303 -2.850 1.00 1.14 C ATOM 1019 CG1 VAL A 62 -1.537 3.519 -2.659 1.00 34.04 C ATOM 1020 CG2 VAL A 62 -3.499 2.154 -1.991 1.00 2.11 C ATOM 0 H VAL A 62 -5.501 3.487 -3.051 1.00 54.11 H new ATOM 0 HA VAL A 62 -3.539 4.863 -1.489 1.00 75.14 H new ATOM 0 HB VAL A 62 -3.193 3.062 -3.899 1.00 1.14 H new ATOM 0 HG11 VAL A 62 -1.001 2.604 -2.910 1.00 34.04 H new ATOM 0 HG12 VAL A 62 -1.200 4.327 -3.309 1.00 34.04 H new ATOM 0 HG13 VAL A 62 -1.338 3.782 -1.620 1.00 34.04 H new ATOM 0 HG21 VAL A 62 -2.936 1.254 -2.240 1.00 2.11 H new ATOM 0 HG22 VAL A 62 -3.347 2.398 -0.940 1.00 2.11 H new ATOM 0 HG23 VAL A 62 -4.560 1.981 -2.173 1.00 2.11 H new ATOM 1030 N ALA A 63 -4.066 5.721 -4.635 1.00 20.14 N ATOM 1031 CA ALA A 63 -3.850 6.787 -5.616 1.00 53.45 C ATOM 1032 C ALA A 63 -4.429 8.083 -5.088 1.00 52.44 C ATOM 1033 O ALA A 63 -3.951 9.151 -5.382 1.00 25.21 O ATOM 1034 CB ALA A 63 -4.491 6.434 -6.945 1.00 51.35 C ATOM 0 H ALA A 63 -4.728 5.004 -4.932 1.00 20.14 H new ATOM 0 HA ALA A 63 -2.778 6.905 -5.776 1.00 53.45 H new ATOM 0 HB1 ALA A 63 -4.318 7.240 -7.658 1.00 51.35 H new ATOM 0 HB2 ALA A 63 -4.053 5.512 -7.327 1.00 51.35 H new ATOM 0 HB3 ALA A 63 -5.563 6.296 -6.807 1.00 51.35 H new ATOM 1040 N ASN A 64 -5.479 7.940 -4.329 1.00 23.50 N ATOM 1041 CA ASN A 64 -6.162 9.014 -3.632 1.00 74.53 C ATOM 1042 C ASN A 64 -5.261 9.627 -2.574 1.00 72.31 C ATOM 1043 O ASN A 64 -5.222 10.848 -2.404 1.00 63.44 O ATOM 1044 CB ASN A 64 -7.426 8.423 -3.016 1.00 74.14 C ATOM 1045 CG ASN A 64 -8.153 9.269 -1.995 1.00 3.33 C ATOM 1046 OD1 ASN A 64 -8.164 10.480 -2.057 1.00 55.34 O ATOM 1047 ND2 ASN A 64 -8.791 8.609 -1.054 1.00 35.43 N ATOM 0 H ASN A 64 -5.909 7.030 -4.166 1.00 23.50 H new ATOM 0 HA ASN A 64 -6.423 9.818 -4.320 1.00 74.53 H new ATOM 0 HB2 ASN A 64 -8.121 8.195 -3.824 1.00 74.14 H new ATOM 0 HB3 ASN A 64 -7.162 7.476 -2.545 1.00 74.14 H new ATOM 0 HD21 ASN A 64 -9.318 9.116 -0.343 1.00 35.43 H new ATOM 0 HD22 ASN A 64 -8.759 7.590 -1.034 1.00 35.43 H new ATOM 1054 N LEU A 65 -4.521 8.781 -1.889 1.00 32.44 N ATOM 1055 CA LEU A 65 -3.618 9.227 -0.866 1.00 55.11 C ATOM 1056 C LEU A 65 -2.451 9.980 -1.506 1.00 65.23 C ATOM 1057 O LEU A 65 -2.224 11.160 -1.247 1.00 21.55 O ATOM 1058 CB LEU A 65 -3.028 8.032 -0.111 1.00 55.54 C ATOM 1059 CG LEU A 65 -2.918 8.166 1.406 1.00 30.23 C ATOM 1060 CD1 LEU A 65 -2.854 9.584 1.841 1.00 52.15 C ATOM 1061 CD2 LEU A 65 -4.025 7.471 2.098 1.00 33.32 C ATOM 0 H LEU A 65 -4.533 7.771 -2.030 1.00 32.44 H new ATOM 0 HA LEU A 65 -4.174 9.868 -0.182 1.00 55.11 H new ATOM 0 HB2 LEU A 65 -3.637 7.156 -0.332 1.00 55.54 H new ATOM 0 HB3 LEU A 65 -2.032 7.836 -0.508 1.00 55.54 H new ATOM 0 HG LEU A 65 -1.980 7.687 1.687 1.00 30.23 H new ATOM 0 HD11 LEU A 65 -2.776 9.628 2.927 1.00 52.15 H new ATOM 0 HD12 LEU A 65 -1.982 10.062 1.395 1.00 52.15 H new ATOM 0 HD13 LEU A 65 -3.757 10.104 1.520 1.00 52.15 H new ATOM 0 HD21 LEU A 65 -3.912 7.589 3.176 1.00 33.32 H new ATOM 0 HD22 LEU A 65 -4.977 7.900 1.784 1.00 33.32 H new ATOM 0 HD23 LEU A 65 -4.004 6.411 1.845 1.00 33.32 H new ATOM 1073 N PHE A 66 -1.752 9.301 -2.384 1.00 15.52 N ATOM 1074 CA PHE A 66 -0.537 9.837 -2.949 1.00 21.35 C ATOM 1075 C PHE A 66 -0.775 10.415 -4.330 1.00 71.52 C ATOM 1076 O PHE A 66 0.089 10.294 -5.203 1.00 40.32 O ATOM 1077 CB PHE A 66 0.518 8.727 -3.051 1.00 54.30 C ATOM 1078 CG PHE A 66 0.772 7.979 -1.777 1.00 71.11 C ATOM 1079 CD1 PHE A 66 1.112 8.648 -0.617 1.00 31.10 C ATOM 1080 CD2 PHE A 66 0.662 6.601 -1.743 1.00 3.13 C ATOM 1081 CE1 PHE A 66 1.341 7.960 0.551 1.00 1.32 C ATOM 1082 CE2 PHE A 66 0.890 5.907 -0.578 1.00 65.55 C ATOM 1083 CZ PHE A 66 1.231 6.589 0.571 1.00 74.54 C ATOM 0 H PHE A 66 -2.005 8.373 -2.724 1.00 15.52 H new ATOM 0 HA PHE A 66 -0.189 10.635 -2.293 1.00 21.35 H new ATOM 0 HB2 PHE A 66 0.204 8.017 -3.816 1.00 54.30 H new ATOM 0 HB3 PHE A 66 1.456 9.167 -3.390 1.00 54.30 H new ATOM 0 HD1 PHE A 66 1.199 9.724 -0.628 1.00 31.10 H new ATOM 0 HD2 PHE A 66 0.394 6.064 -2.641 1.00 3.13 H new ATOM 0 HE1 PHE A 66 1.607 8.495 1.451 1.00 1.32 H new ATOM 0 HE2 PHE A 66 0.802 4.831 -0.563 1.00 65.55 H new ATOM 0 HZ PHE A 66 1.412 6.046 1.487 1.00 74.54 H new ATOM 1093 N ARG A 67 -1.906 11.084 -4.527 1.00 33.13 N ATOM 1094 CA ARG A 67 -2.197 11.690 -5.794 1.00 45.43 C ATOM 1095 C ARG A 67 -1.145 12.745 -6.140 1.00 23.23 C ATOM 1096 O ARG A 67 -0.905 13.693 -5.376 1.00 31.24 O ATOM 1097 CB ARG A 67 -3.631 12.247 -5.840 1.00 41.41 C ATOM 1098 CG ARG A 67 -3.972 13.311 -4.811 1.00 71.45 C ATOM 1099 CD ARG A 67 -5.430 13.747 -4.935 1.00 11.31 C ATOM 1100 NE ARG A 67 -5.748 14.342 -6.257 1.00 4.31 N ATOM 1101 CZ ARG A 67 -7.004 14.590 -6.709 1.00 63.55 C ATOM 1102 NH1 ARG A 67 -8.058 14.205 -5.997 1.00 2.52 N ATOM 1103 NH2 ARG A 67 -7.197 15.188 -7.883 1.00 64.13 N ATOM 0 H ARG A 67 -2.627 11.213 -3.818 1.00 33.13 H new ATOM 0 HA ARG A 67 -2.147 10.919 -6.563 1.00 45.43 H new ATOM 0 HB2 ARG A 67 -3.805 12.662 -6.833 1.00 41.41 H new ATOM 0 HB3 ARG A 67 -4.325 11.416 -5.716 1.00 41.41 H new ATOM 0 HG2 ARG A 67 -3.789 12.924 -3.809 1.00 71.45 H new ATOM 0 HG3 ARG A 67 -3.319 14.173 -4.944 1.00 71.45 H new ATOM 0 HD2 ARG A 67 -6.076 12.886 -4.766 1.00 11.31 H new ATOM 0 HD3 ARG A 67 -5.654 14.473 -4.153 1.00 11.31 H new ATOM 0 HE ARG A 67 -4.968 14.581 -6.869 1.00 4.31 H new ATOM 0 HH11 ARG A 67 -7.924 13.722 -5.109 1.00 2.52 H new ATOM 0 HH12 ARG A 67 -9.001 14.393 -6.339 1.00 2.52 H new ATOM 0 HH21 ARG A 67 -6.397 15.464 -8.452 1.00 64.13 H new ATOM 0 HH22 ARG A 67 -8.145 15.370 -8.213 1.00 64.13 H new ATOM 1117 N GLY A 68 -0.479 12.525 -7.234 1.00 41.33 N ATOM 1118 CA GLY A 68 0.577 13.388 -7.661 1.00 60.41 C ATOM 1119 C GLY A 68 1.882 12.653 -7.657 1.00 32.22 C ATOM 1120 O GLY A 68 2.756 12.908 -8.482 1.00 43.42 O ATOM 0 H GLY A 68 -0.655 11.737 -7.857 1.00 41.33 H new ATOM 0 HA2 GLY A 68 0.366 13.764 -8.662 1.00 60.41 H new ATOM 0 HA3 GLY A 68 0.637 14.254 -7.002 1.00 60.41 H new ATOM 1124 N GLN A 69 2.015 11.722 -6.740 1.00 72.21 N ATOM 1125 CA GLN A 69 3.201 10.924 -6.626 1.00 72.12 C ATOM 1126 C GLN A 69 2.989 9.628 -7.388 1.00 13.34 C ATOM 1127 O GLN A 69 2.912 8.538 -6.809 1.00 72.42 O ATOM 1128 CB GLN A 69 3.477 10.637 -5.168 1.00 64.25 C ATOM 1129 CG GLN A 69 3.439 11.876 -4.293 1.00 31.30 C ATOM 1130 CD GLN A 69 4.485 12.916 -4.652 1.00 64.42 C ATOM 1131 OE1 GLN A 69 5.579 12.594 -5.135 1.00 32.03 O ATOM 1132 NE2 GLN A 69 4.161 14.163 -4.426 1.00 74.21 N ATOM 0 H GLN A 69 1.296 11.501 -6.051 1.00 72.21 H new ATOM 0 HA GLN A 69 4.056 11.455 -7.044 1.00 72.12 H new ATOM 0 HB2 GLN A 69 2.743 9.919 -4.801 1.00 64.25 H new ATOM 0 HB3 GLN A 69 4.456 10.167 -5.077 1.00 64.25 H new ATOM 0 HG2 GLN A 69 2.450 12.329 -4.365 1.00 31.30 H new ATOM 0 HG3 GLN A 69 3.578 11.579 -3.254 1.00 31.30 H new ATOM 0 HE21 GLN A 69 3.250 14.389 -4.027 1.00 74.21 H new ATOM 0 HE22 GLN A 69 4.819 14.909 -4.649 1.00 74.21 H new ATOM 1141 N GLU A 70 2.904 9.759 -8.686 1.00 74.43 N ATOM 1142 CA GLU A 70 2.627 8.660 -9.590 1.00 2.32 C ATOM 1143 C GLU A 70 3.782 7.669 -9.596 1.00 63.25 C ATOM 1144 O GLU A 70 3.607 6.485 -9.891 1.00 32.34 O ATOM 1145 CB GLU A 70 2.343 9.218 -10.975 1.00 72.45 C ATOM 1146 CG GLU A 70 1.159 10.176 -10.968 1.00 42.24 C ATOM 1147 CD GLU A 70 0.987 10.924 -12.252 1.00 64.23 C ATOM 1148 OE1 GLU A 70 1.608 11.998 -12.407 1.00 53.41 O ATOM 1149 OE2 GLU A 70 0.202 10.493 -13.121 1.00 52.40 O ATOM 0 H GLU A 70 3.028 10.653 -9.161 1.00 74.43 H new ATOM 0 HA GLU A 70 1.746 8.113 -9.253 1.00 2.32 H new ATOM 0 HB2 GLU A 70 3.227 9.736 -11.346 1.00 72.45 H new ATOM 0 HB3 GLU A 70 2.142 8.397 -11.663 1.00 72.45 H new ATOM 0 HG2 GLU A 70 0.249 9.614 -10.760 1.00 42.24 H new ATOM 0 HG3 GLU A 70 1.285 10.891 -10.155 1.00 42.24 H new ATOM 1156 N ASP A 71 4.948 8.160 -9.228 1.00 13.41 N ATOM 1157 CA ASP A 71 6.137 7.340 -9.072 1.00 22.20 C ATOM 1158 C ASP A 71 5.912 6.280 -7.992 1.00 45.13 C ATOM 1159 O ASP A 71 6.170 5.086 -8.209 1.00 45.40 O ATOM 1160 CB ASP A 71 7.340 8.218 -8.725 1.00 32.02 C ATOM 1161 CG ASP A 71 8.599 7.424 -8.469 1.00 32.23 C ATOM 1162 OD1 ASP A 71 9.276 7.021 -9.440 1.00 13.51 O ATOM 1163 OD2 ASP A 71 8.956 7.206 -7.302 1.00 55.00 O ATOM 0 H ASP A 71 5.101 9.148 -9.026 1.00 13.41 H new ATOM 0 HA ASP A 71 6.341 6.831 -10.014 1.00 22.20 H new ATOM 0 HB2 ASP A 71 7.519 8.918 -9.541 1.00 32.02 H new ATOM 0 HB3 ASP A 71 7.106 8.812 -7.841 1.00 32.02 H new ATOM 1168 N LEU A 72 5.364 6.712 -6.864 1.00 20.04 N ATOM 1169 CA LEU A 72 5.060 5.819 -5.752 1.00 31.22 C ATOM 1170 C LEU A 72 3.965 4.858 -6.135 1.00 32.33 C ATOM 1171 O LEU A 72 4.035 3.680 -5.837 1.00 52.11 O ATOM 1172 CB LEU A 72 4.625 6.607 -4.513 1.00 10.02 C ATOM 1173 CG LEU A 72 5.690 7.452 -3.826 1.00 32.11 C ATOM 1174 CD1 LEU A 72 5.062 8.271 -2.709 1.00 45.44 C ATOM 1175 CD2 LEU A 72 6.792 6.561 -3.269 1.00 41.54 C ATOM 0 H LEU A 72 5.118 7.687 -6.694 1.00 20.04 H new ATOM 0 HA LEU A 72 5.969 5.265 -5.517 1.00 31.22 H new ATOM 0 HB2 LEU A 72 3.803 7.264 -4.799 1.00 10.02 H new ATOM 0 HB3 LEU A 72 4.229 5.901 -3.783 1.00 10.02 H new ATOM 0 HG LEU A 72 6.128 8.130 -4.558 1.00 32.11 H new ATOM 0 HD11 LEU A 72 5.830 8.872 -2.223 1.00 45.44 H new ATOM 0 HD12 LEU A 72 4.297 8.927 -3.125 1.00 45.44 H new ATOM 0 HD13 LEU A 72 4.608 7.602 -1.978 1.00 45.44 H new ATOM 0 HD21 LEU A 72 7.547 7.178 -2.781 1.00 41.54 H new ATOM 0 HD22 LEU A 72 6.367 5.866 -2.545 1.00 41.54 H new ATOM 0 HD23 LEU A 72 7.253 6.000 -4.082 1.00 41.54 H new ATOM 1187 N LEU A 73 2.998 5.357 -6.878 1.00 20.31 N ATOM 1188 CA LEU A 73 1.826 4.574 -7.256 1.00 1.43 C ATOM 1189 C LEU A 73 2.227 3.447 -8.200 1.00 44.31 C ATOM 1190 O LEU A 73 1.602 2.387 -8.239 1.00 43.05 O ATOM 1191 CB LEU A 73 0.773 5.487 -7.901 1.00 1.51 C ATOM 1192 CG LEU A 73 0.323 6.694 -7.055 1.00 74.34 C ATOM 1193 CD1 LEU A 73 -0.688 7.550 -7.788 1.00 2.15 C ATOM 1194 CD2 LEU A 73 -0.239 6.258 -5.717 1.00 25.23 C ATOM 0 H LEU A 73 2.996 6.311 -7.238 1.00 20.31 H new ATOM 0 HA LEU A 73 1.390 4.126 -6.363 1.00 1.43 H new ATOM 0 HB2 LEU A 73 1.171 5.858 -8.846 1.00 1.51 H new ATOM 0 HB3 LEU A 73 -0.105 4.886 -8.138 1.00 1.51 H new ATOM 0 HG LEU A 73 1.213 7.297 -6.876 1.00 74.34 H new ATOM 0 HD11 LEU A 73 -0.979 8.390 -7.157 1.00 2.15 H new ATOM 0 HD12 LEU A 73 -0.246 7.926 -8.711 1.00 2.15 H new ATOM 0 HD13 LEU A 73 -1.568 6.952 -8.025 1.00 2.15 H new ATOM 0 HD21 LEU A 73 -0.546 7.136 -5.148 1.00 25.23 H new ATOM 0 HD22 LEU A 73 -1.101 5.610 -5.878 1.00 25.23 H new ATOM 0 HD23 LEU A 73 0.525 5.714 -5.161 1.00 25.23 H new ATOM 1206 N SER A 74 3.295 3.673 -8.921 1.00 13.35 N ATOM 1207 CA SER A 74 3.828 2.704 -9.833 1.00 41.54 C ATOM 1208 C SER A 74 4.613 1.612 -9.087 1.00 45.10 C ATOM 1209 O SER A 74 4.547 0.436 -9.450 1.00 51.12 O ATOM 1210 CB SER A 74 4.688 3.413 -10.858 1.00 33.34 C ATOM 1211 OG SER A 74 3.912 4.386 -11.549 1.00 4.31 O ATOM 0 H SER A 74 3.822 4.546 -8.888 1.00 13.35 H new ATOM 0 HA SER A 74 3.009 2.201 -10.348 1.00 41.54 H new ATOM 0 HB2 SER A 74 5.535 3.892 -10.367 1.00 33.34 H new ATOM 0 HB3 SER A 74 5.096 2.691 -11.565 1.00 33.34 H new ATOM 0 HG SER A 74 3.899 5.220 -11.034 1.00 4.31 H new ATOM 1217 N GLU A 75 5.326 1.983 -8.028 1.00 14.04 N ATOM 1218 CA GLU A 75 6.049 0.988 -7.239 1.00 41.51 C ATOM 1219 C GLU A 75 5.102 0.244 -6.318 1.00 62.40 C ATOM 1220 O GLU A 75 5.369 -0.886 -5.918 1.00 63.43 O ATOM 1221 CB GLU A 75 7.197 1.590 -6.446 1.00 70.21 C ATOM 1222 CG GLU A 75 8.340 2.096 -7.296 1.00 51.03 C ATOM 1223 CD GLU A 75 9.506 2.546 -6.459 1.00 0.22 C ATOM 1224 OE1 GLU A 75 10.329 1.690 -6.048 1.00 61.10 O ATOM 1225 OE2 GLU A 75 9.640 3.756 -6.211 1.00 41.41 O ATOM 0 H GLU A 75 5.419 2.944 -7.700 1.00 14.04 H new ATOM 0 HA GLU A 75 6.486 0.284 -7.947 1.00 41.51 H new ATOM 0 HB2 GLU A 75 6.815 2.414 -5.844 1.00 70.21 H new ATOM 0 HB3 GLU A 75 7.578 0.839 -5.754 1.00 70.21 H new ATOM 0 HG2 GLU A 75 8.664 1.307 -7.975 1.00 51.03 H new ATOM 0 HG3 GLU A 75 7.994 2.926 -7.913 1.00 51.03 H new ATOM 1232 N PHE A 76 3.989 0.881 -6.001 1.00 31.51 N ATOM 1233 CA PHE A 76 2.947 0.283 -5.181 1.00 23.22 C ATOM 1234 C PHE A 76 2.456 -1.025 -5.805 1.00 72.31 C ATOM 1235 O PHE A 76 2.343 -2.046 -5.128 1.00 35.41 O ATOM 1236 CB PHE A 76 1.777 1.264 -5.004 1.00 34.24 C ATOM 1237 CG PHE A 76 0.662 0.716 -4.171 1.00 50.44 C ATOM 1238 CD1 PHE A 76 0.806 0.596 -2.803 1.00 62.43 C ATOM 1239 CD2 PHE A 76 -0.518 0.296 -4.760 1.00 61.42 C ATOM 1240 CE1 PHE A 76 -0.204 0.071 -2.033 1.00 41.43 C ATOM 1241 CE2 PHE A 76 -1.534 -0.238 -3.997 1.00 11.35 C ATOM 1242 CZ PHE A 76 -1.375 -0.350 -2.627 1.00 60.21 C ATOM 0 H PHE A 76 3.780 1.832 -6.306 1.00 31.51 H new ATOM 0 HA PHE A 76 3.366 0.060 -4.200 1.00 23.22 H new ATOM 0 HB2 PHE A 76 2.147 2.180 -4.544 1.00 34.24 H new ATOM 0 HB3 PHE A 76 1.388 1.535 -5.986 1.00 34.24 H new ATOM 0 HD1 PHE A 76 1.723 0.919 -2.333 1.00 62.43 H new ATOM 0 HD2 PHE A 76 -0.644 0.388 -5.829 1.00 61.42 H new ATOM 0 HE1 PHE A 76 -0.081 -0.012 -0.963 1.00 41.43 H new ATOM 0 HE2 PHE A 76 -2.449 -0.567 -4.466 1.00 11.35 H new ATOM 0 HZ PHE A 76 -2.168 -0.767 -2.023 1.00 60.21 H new