USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 610 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 59 SER OG : rot -79:sc= 0.271 USER MOD Set 1.2: A 97 THR OG1 : rot 129:sc= 0.807 USER MOD Set 2.1: A 13 GLN : amide:sc= 0.767 K(o=1.7,f=0.65) USER MOD Set 2.2: A 30 THR OG1 : rot -72:sc= 0.889 USER MOD Set 3.1: A 15 GLN : amide:sc= -0.042 K(o=-0.042,f=-2!) USER MOD Set 3.2: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 16 ASN : amide:sc= 0.65 K(o=4.2,f=3.1) USER MOD Set 4.2: A 56 SER OG : rot 81:sc= 0.451 USER MOD Set 4.3: A 58 THR OG1 : rot 72:sc= 1.43 USER MOD Set 4.4: A 79 TYR OH : rot 141:sc= 1.63 USER MOD Single : A 17 ASN : amide:sc= -0.612 K(o=-0.61,f=-4.2!) USER MOD Single : A 18 ASN : amide:sc= -1.96! C(o=-2!,f=-2.7!) USER MOD Single : A 27 TYR OH : rot -124:sc= 0.492 USER MOD Single : A 29 TYR OH : rot 130:sc= -0.102 USER MOD Single : A 32 THR OG1 : rot -26:sc= 0.0534 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0636 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.207 X(o=-0.21,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 146:sc= 0.724 (180deg=-0.152) USER MOD Single : A 42 ASN : amide:sc= -0.935 X(o=-0.93,f=-0.82) USER MOD Single : A 45 LYS NZ :NH3+ -146:sc= 0.204 (180deg=0.031) USER MOD Single : A 47 TYR OH : rot 26:sc= 0.114 USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0583) USER MOD Single : A 50 LYS NZ :NH3+ -127:sc= 0.0945 (180deg=-0.0185) USER MOD Single : A 61 THR OG1 : rot -159:sc= -0.871 USER MOD Single : A 64 THR OG1 : rot -110:sc= -2.34! USER MOD Single : A 65 LYS NZ :NH3+ 172:sc=-0.00776 (180deg=-0.0675) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -114:sc= 0.563 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 170 N ASP A 11 2.370 13.986 -6.751 1.00 50.10 N ATOM 171 CA ASP A 11 1.537 12.771 -6.905 1.00 34.23 C ATOM 172 C ASP A 11 2.067 11.601 -6.061 1.00 30.32 C ATOM 173 O ASP A 11 3.261 11.518 -5.763 1.00 20.42 O ATOM 174 CB ASP A 11 1.463 12.354 -8.401 1.00 1.21 C ATOM 175 CG ASP A 11 0.771 13.405 -9.281 1.00 54.11 C ATOM 176 OD1 ASP A 11 1.450 14.340 -9.758 1.00 31.03 O ATOM 177 OD2 ASP A 11 -0.456 13.322 -9.478 1.00 5.43 O ATOM 0 HA ASP A 11 0.537 13.014 -6.546 1.00 34.23 H new ATOM 0 HB2 ASP A 11 2.472 12.182 -8.775 1.00 1.21 H new ATOM 0 HB3 ASP A 11 0.927 11.409 -8.483 1.00 1.21 H new ATOM 182 N ILE A 12 1.153 10.704 -5.694 1.00 24.53 N ATOM 183 CA ILE A 12 1.442 9.547 -4.834 1.00 4.12 C ATOM 184 C ILE A 12 1.882 8.347 -5.701 1.00 13.21 C ATOM 185 O ILE A 12 1.068 7.763 -6.429 1.00 3.11 O ATOM 186 CB ILE A 12 0.175 9.176 -3.981 1.00 41.01 C ATOM 187 CG1 ILE A 12 -0.347 10.432 -3.214 1.00 2.34 C ATOM 188 CG2 ILE A 12 0.467 8.011 -3.011 1.00 72.11 C ATOM 189 CD1 ILE A 12 -1.669 10.240 -2.482 1.00 33.11 C ATOM 0 H ILE A 12 0.177 10.757 -5.987 1.00 24.53 H new ATOM 0 HA ILE A 12 2.253 9.802 -4.152 1.00 4.12 H new ATOM 0 HB ILE A 12 -0.606 8.838 -4.662 1.00 41.01 H new ATOM 0 HG12 ILE A 12 0.410 10.737 -2.491 1.00 2.34 H new ATOM 0 HG13 ILE A 12 -0.458 11.252 -3.924 1.00 2.34 H new ATOM 0 HG21 ILE A 12 -0.431 7.781 -2.437 1.00 72.11 H new ATOM 0 HG22 ILE A 12 0.769 7.131 -3.579 1.00 72.11 H new ATOM 0 HG23 ILE A 12 1.269 8.297 -2.330 1.00 72.11 H new ATOM 0 HD11 ILE A 12 -1.946 11.168 -1.981 1.00 33.11 H new ATOM 0 HD12 ILE A 12 -2.445 9.968 -3.198 1.00 33.11 H new ATOM 0 HD13 ILE A 12 -1.563 9.446 -1.743 1.00 33.11 H new ATOM 201 N GLN A 13 3.180 8.017 -5.648 1.00 13.13 N ATOM 202 CA GLN A 13 3.745 6.864 -6.374 1.00 23.32 C ATOM 203 C GLN A 13 3.504 5.566 -5.580 1.00 10.13 C ATOM 204 O GLN A 13 3.586 5.556 -4.351 1.00 23.13 O ATOM 205 CB GLN A 13 5.258 7.089 -6.626 1.00 75.34 C ATOM 206 CG GLN A 13 5.971 5.956 -7.404 1.00 62.32 C ATOM 207 CD GLN A 13 5.406 5.720 -8.806 1.00 31.13 C ATOM 208 OE1 GLN A 13 4.918 6.638 -9.457 1.00 52.14 O ATOM 209 NE2 GLN A 13 5.467 4.487 -9.280 1.00 42.22 N ATOM 0 H GLN A 13 3.868 8.538 -5.104 1.00 13.13 H new ATOM 0 HA GLN A 13 3.247 6.768 -7.339 1.00 23.32 H new ATOM 0 HB2 GLN A 13 5.384 8.021 -7.177 1.00 75.34 H new ATOM 0 HB3 GLN A 13 5.755 7.217 -5.665 1.00 75.34 H new ATOM 0 HG2 GLN A 13 7.031 6.195 -7.485 1.00 62.32 H new ATOM 0 HG3 GLN A 13 5.896 5.031 -6.832 1.00 62.32 H new ATOM 0 HE21 GLN A 13 5.879 3.744 -8.716 1.00 42.22 H new ATOM 0 HE22 GLN A 13 5.103 4.279 -10.210 1.00 42.22 H new ATOM 218 N VAL A 14 3.197 4.475 -6.300 1.00 61.35 N ATOM 219 CA VAL A 14 2.881 3.159 -5.714 1.00 30.52 C ATOM 220 C VAL A 14 3.755 2.085 -6.376 1.00 73.23 C ATOM 221 O VAL A 14 3.817 2.010 -7.608 1.00 41.03 O ATOM 222 CB VAL A 14 1.367 2.786 -5.926 1.00 44.13 C ATOM 223 CG1 VAL A 14 1.015 1.440 -5.249 1.00 31.43 C ATOM 224 CG2 VAL A 14 0.439 3.918 -5.437 1.00 25.23 C ATOM 0 H VAL A 14 3.160 4.481 -7.319 1.00 61.35 H new ATOM 0 HA VAL A 14 3.079 3.208 -4.643 1.00 30.52 H new ATOM 0 HB VAL A 14 1.206 2.665 -6.997 1.00 44.13 H new ATOM 0 HG11 VAL A 14 -0.038 1.213 -5.415 1.00 31.43 H new ATOM 0 HG12 VAL A 14 1.629 0.647 -5.676 1.00 31.43 H new ATOM 0 HG13 VAL A 14 1.206 1.510 -4.178 1.00 31.43 H new ATOM 0 HG21 VAL A 14 -0.600 3.631 -5.597 1.00 25.23 H new ATOM 0 HG22 VAL A 14 0.608 4.094 -4.375 1.00 25.23 H new ATOM 0 HG23 VAL A 14 0.653 4.830 -5.994 1.00 25.23 H new ATOM 234 N GLN A 15 4.455 1.283 -5.561 1.00 62.11 N ATOM 235 CA GLN A 15 5.224 0.119 -6.034 1.00 30.33 C ATOM 236 C GLN A 15 4.974 -1.092 -5.131 1.00 2.12 C ATOM 237 O GLN A 15 5.268 -1.044 -3.942 1.00 1.32 O ATOM 238 CB GLN A 15 6.745 0.465 -6.118 1.00 0.43 C ATOM 239 CG GLN A 15 7.184 1.085 -7.465 1.00 62.40 C ATOM 240 CD GLN A 15 7.296 0.067 -8.609 1.00 12.12 C ATOM 241 OE1 GLN A 15 6.628 -0.972 -8.628 1.00 11.41 O ATOM 242 NE2 GLN A 15 8.128 0.373 -9.591 1.00 21.05 N ATOM 0 H GLN A 15 4.505 1.422 -4.552 1.00 62.11 H new ATOM 0 HA GLN A 15 4.886 -0.140 -7.038 1.00 30.33 H new ATOM 0 HB2 GLN A 15 6.993 1.159 -5.314 1.00 0.43 H new ATOM 0 HB3 GLN A 15 7.322 -0.443 -5.944 1.00 0.43 H new ATOM 0 HG2 GLN A 15 6.470 1.858 -7.748 1.00 62.40 H new ATOM 0 HG3 GLN A 15 8.148 1.575 -7.332 1.00 62.40 H new ATOM 0 HE21 GLN A 15 8.668 1.237 -9.551 1.00 21.05 H new ATOM 0 HE22 GLN A 15 8.229 -0.255 -10.388 1.00 21.05 H new ATOM 251 N ASN A 16 4.413 -2.169 -5.701 1.00 51.44 N ATOM 252 CA ASN A 16 4.345 -3.477 -5.033 1.00 54.30 C ATOM 253 C ASN A 16 5.388 -4.390 -5.685 1.00 63.03 C ATOM 254 O ASN A 16 5.274 -4.736 -6.871 1.00 13.41 O ATOM 255 CB ASN A 16 2.925 -4.097 -5.156 1.00 34.30 C ATOM 256 CG ASN A 16 2.802 -5.491 -4.505 1.00 2.51 C ATOM 257 OD1 ASN A 16 3.085 -6.518 -5.122 1.00 22.42 O ATOM 258 ND2 ASN A 16 2.350 -5.542 -3.268 1.00 52.43 N ATOM 0 H ASN A 16 3.996 -2.158 -6.632 1.00 51.44 H new ATOM 0 HA ASN A 16 4.552 -3.360 -3.969 1.00 54.30 H new ATOM 0 HB2 ASN A 16 2.202 -3.424 -4.694 1.00 34.30 H new ATOM 0 HB3 ASN A 16 2.661 -4.173 -6.211 1.00 34.30 H new ATOM 0 HD21 ASN A 16 2.229 -6.443 -2.806 1.00 52.43 H new ATOM 0 HD22 ASN A 16 2.121 -4.680 -2.773 1.00 52.43 H new ATOM 265 N ASN A 17 6.418 -4.753 -4.911 1.00 20.12 N ATOM 266 CA ASN A 17 7.466 -5.686 -5.343 1.00 24.12 C ATOM 267 C ASN A 17 7.257 -7.024 -4.627 1.00 1.33 C ATOM 268 O ASN A 17 7.222 -7.079 -3.397 1.00 51.41 O ATOM 269 CB ASN A 17 8.875 -5.113 -5.037 1.00 75.24 C ATOM 270 CG ASN A 17 10.026 -5.998 -5.544 1.00 71.34 C ATOM 271 OD1 ASN A 17 11.074 -6.097 -4.907 1.00 71.43 O ATOM 272 ND2 ASN A 17 9.869 -6.604 -6.721 1.00 10.32 N ATOM 0 H ASN A 17 6.549 -4.405 -3.961 1.00 20.12 H new ATOM 0 HA ASN A 17 7.401 -5.834 -6.421 1.00 24.12 H new ATOM 0 HB2 ASN A 17 8.962 -4.125 -5.489 1.00 75.24 H new ATOM 0 HB3 ASN A 17 8.978 -4.981 -3.960 1.00 75.24 H new ATOM 0 HD21 ASN A 17 10.627 -7.164 -7.111 1.00 10.32 H new ATOM 0 HD22 ASN A 17 8.991 -6.508 -7.231 1.00 10.32 H new ATOM 279 N ASN A 18 7.127 -8.093 -5.411 1.00 11.45 N ATOM 280 CA ASN A 18 6.846 -9.437 -4.915 1.00 0.14 C ATOM 281 C ASN A 18 7.764 -10.407 -5.670 1.00 25.42 C ATOM 282 O ASN A 18 7.651 -10.545 -6.892 1.00 14.11 O ATOM 283 CB ASN A 18 5.340 -9.766 -5.158 1.00 11.24 C ATOM 284 CG ASN A 18 4.847 -11.065 -4.502 1.00 23.22 C ATOM 285 OD1 ASN A 18 5.593 -12.023 -4.302 1.00 70.15 O ATOM 286 ND2 ASN A 18 3.565 -11.103 -4.168 1.00 41.20 N ATOM 0 H ASN A 18 7.216 -8.047 -6.426 1.00 11.45 H new ATOM 0 HA ASN A 18 7.035 -9.521 -3.845 1.00 0.14 H new ATOM 0 HB2 ASN A 18 4.738 -8.937 -4.786 1.00 11.24 H new ATOM 0 HB3 ASN A 18 5.166 -9.830 -6.232 1.00 11.24 H new ATOM 0 HD21 ASN A 18 3.176 -11.940 -3.734 1.00 41.20 H new ATOM 0 HD22 ASN A 18 2.968 -10.295 -4.345 1.00 41.20 H new ATOM 406 N TYR A 27 3.812 -4.207 -9.706 1.00 12.52 N ATOM 407 CA TYR A 27 2.575 -3.424 -9.676 1.00 62.21 C ATOM 408 C TYR A 27 2.900 -1.938 -9.440 1.00 53.32 C ATOM 409 O TYR A 27 2.856 -1.439 -8.307 1.00 31.22 O ATOM 410 CB TYR A 27 1.616 -3.998 -8.612 1.00 1.10 C ATOM 411 CG TYR A 27 1.207 -5.456 -8.875 1.00 62.33 C ATOM 412 CD1 TYR A 27 0.313 -5.763 -9.899 1.00 62.01 C ATOM 413 CD2 TYR A 27 1.699 -6.515 -8.101 1.00 10.10 C ATOM 414 CE1 TYR A 27 -0.076 -7.060 -10.143 1.00 1.21 C ATOM 415 CE2 TYR A 27 1.311 -7.819 -8.345 1.00 64.13 C ATOM 416 CZ TYR A 27 0.423 -8.083 -9.366 1.00 74.11 C ATOM 417 OH TYR A 27 0.016 -9.377 -9.607 1.00 33.31 O ATOM 0 HA TYR A 27 2.067 -3.493 -10.638 1.00 62.21 H new ATOM 0 HB2 TYR A 27 2.092 -3.934 -7.634 1.00 1.10 H new ATOM 0 HB3 TYR A 27 0.719 -3.380 -8.572 1.00 1.10 H new ATOM 0 HD1 TYR A 27 -0.082 -4.967 -10.513 1.00 62.01 H new ATOM 0 HD2 TYR A 27 2.393 -6.309 -7.300 1.00 10.10 H new ATOM 0 HE1 TYR A 27 -0.771 -7.276 -10.941 1.00 1.21 H new ATOM 0 HE2 TYR A 27 1.700 -8.625 -7.741 1.00 64.13 H new ATOM 0 HH TYR A 27 -0.365 -9.758 -8.788 1.00 33.31 H new ATOM 427 N THR A 28 3.291 -1.266 -10.536 1.00 33.21 N ATOM 428 CA THR A 28 3.641 0.159 -10.540 1.00 20.11 C ATOM 429 C THR A 28 2.404 0.993 -10.904 1.00 72.24 C ATOM 430 O THR A 28 1.819 0.797 -11.977 1.00 43.52 O ATOM 431 CB THR A 28 4.779 0.451 -11.574 1.00 60.52 C ATOM 432 OG1 THR A 28 5.831 -0.513 -11.415 1.00 2.13 O ATOM 433 CG2 THR A 28 5.349 1.872 -11.401 1.00 60.22 C ATOM 0 H THR A 28 3.373 -1.705 -11.453 1.00 33.21 H new ATOM 0 HA THR A 28 3.994 0.428 -9.544 1.00 20.11 H new ATOM 0 HB THR A 28 4.354 0.378 -12.575 1.00 60.52 H new ATOM 0 HG1 THR A 28 6.543 -0.331 -12.064 1.00 2.13 H new ATOM 0 HG21 THR A 28 6.137 2.040 -12.135 1.00 60.22 H new ATOM 0 HG22 THR A 28 4.554 2.603 -11.548 1.00 60.22 H new ATOM 0 HG23 THR A 28 5.760 1.979 -10.397 1.00 60.22 H new ATOM 441 N TYR A 29 2.000 1.902 -10.007 1.00 31.54 N ATOM 442 CA TYR A 29 0.873 2.832 -10.231 1.00 22.24 C ATOM 443 C TYR A 29 1.311 4.250 -9.836 1.00 43.23 C ATOM 444 O TYR A 29 2.248 4.419 -9.054 1.00 14.35 O ATOM 445 CB TYR A 29 -0.365 2.420 -9.383 1.00 22.54 C ATOM 446 CG TYR A 29 -0.860 0.982 -9.631 1.00 24.02 C ATOM 447 CD1 TYR A 29 -1.557 0.651 -10.795 1.00 23.34 C ATOM 448 CD2 TYR A 29 -0.625 -0.038 -8.701 1.00 2.15 C ATOM 449 CE1 TYR A 29 -2.000 -0.642 -11.021 1.00 61.33 C ATOM 450 CE2 TYR A 29 -1.065 -1.326 -8.928 1.00 4.13 C ATOM 451 CZ TYR A 29 -1.752 -1.626 -10.082 1.00 50.01 C ATOM 452 OH TYR A 29 -2.200 -2.915 -10.293 1.00 14.34 O ATOM 0 H TYR A 29 2.446 2.018 -9.097 1.00 31.54 H new ATOM 0 HA TYR A 29 0.595 2.799 -11.284 1.00 22.24 H new ATOM 0 HB2 TYR A 29 -0.118 2.529 -8.327 1.00 22.54 H new ATOM 0 HB3 TYR A 29 -1.180 3.113 -9.593 1.00 22.54 H new ATOM 0 HD1 TYR A 29 -1.754 1.416 -11.531 1.00 23.34 H new ATOM 0 HD2 TYR A 29 -0.090 0.187 -7.790 1.00 2.15 H new ATOM 0 HE1 TYR A 29 -2.537 -0.880 -11.927 1.00 61.33 H new ATOM 0 HE2 TYR A 29 -0.870 -2.099 -8.200 1.00 4.13 H new ATOM 0 HH TYR A 29 -1.463 -3.545 -10.151 1.00 14.34 H new ATOM 462 N THR A 30 0.650 5.265 -10.408 1.00 43.04 N ATOM 463 CA THR A 30 0.782 6.661 -9.974 1.00 13.13 C ATOM 464 C THR A 30 -0.630 7.228 -9.801 1.00 24.25 C ATOM 465 O THR A 30 -1.345 7.441 -10.792 1.00 3.04 O ATOM 466 CB THR A 30 1.595 7.518 -11.000 1.00 51.41 C ATOM 467 OG1 THR A 30 2.814 6.844 -11.340 1.00 12.41 O ATOM 468 CG2 THR A 30 1.925 8.913 -10.437 1.00 33.45 C ATOM 0 H THR A 30 0.006 5.140 -11.189 1.00 43.04 H new ATOM 0 HA THR A 30 1.334 6.698 -9.035 1.00 13.13 H new ATOM 0 HB THR A 30 0.977 7.645 -11.889 1.00 51.41 H new ATOM 0 HG1 THR A 30 3.432 6.883 -10.581 1.00 12.41 H new ATOM 0 HG21 THR A 30 2.490 9.480 -11.177 1.00 33.45 H new ATOM 0 HG22 THR A 30 0.999 9.440 -10.205 1.00 33.45 H new ATOM 0 HG23 THR A 30 2.519 8.808 -9.529 1.00 33.45 H new ATOM 476 N VAL A 31 -1.045 7.414 -8.546 1.00 25.32 N ATOM 477 CA VAL A 31 -2.377 7.937 -8.207 1.00 20.14 C ATOM 478 C VAL A 31 -2.258 9.412 -7.792 1.00 55.21 C ATOM 479 O VAL A 31 -1.373 9.791 -7.017 1.00 52.10 O ATOM 480 CB VAL A 31 -3.067 7.081 -7.081 1.00 2.11 C ATOM 481 CG1 VAL A 31 -3.413 5.663 -7.601 1.00 51.13 C ATOM 482 CG2 VAL A 31 -2.181 6.997 -5.826 1.00 75.35 C ATOM 0 H VAL A 31 -0.467 7.206 -7.731 1.00 25.32 H new ATOM 0 HA VAL A 31 -3.013 7.867 -9.089 1.00 20.14 H new ATOM 0 HB VAL A 31 -3.995 7.581 -6.805 1.00 2.11 H new ATOM 0 HG11 VAL A 31 -3.889 5.090 -6.805 1.00 51.13 H new ATOM 0 HG12 VAL A 31 -4.094 5.742 -8.448 1.00 51.13 H new ATOM 0 HG13 VAL A 31 -2.500 5.158 -7.916 1.00 51.13 H new ATOM 0 HG21 VAL A 31 -2.683 6.400 -5.065 1.00 75.35 H new ATOM 0 HG22 VAL A 31 -1.229 6.532 -6.083 1.00 75.35 H new ATOM 0 HG23 VAL A 31 -2.002 8.000 -5.439 1.00 75.35 H new ATOM 492 N THR A 32 -3.144 10.241 -8.349 1.00 42.32 N ATOM 493 CA THR A 32 -3.149 11.693 -8.116 1.00 4.45 C ATOM 494 C THR A 32 -3.961 12.059 -6.856 1.00 73.05 C ATOM 495 O THR A 32 -3.865 13.183 -6.356 1.00 61.43 O ATOM 496 CB THR A 32 -3.700 12.442 -9.382 1.00 71.13 C ATOM 497 OG1 THR A 32 -3.548 13.865 -9.234 1.00 71.22 O ATOM 498 CG2 THR A 32 -5.175 12.103 -9.681 1.00 20.23 C ATOM 0 H THR A 32 -3.883 9.926 -8.978 1.00 42.32 H new ATOM 0 HA THR A 32 -2.122 12.014 -7.942 1.00 4.45 H new ATOM 0 HB THR A 32 -3.108 12.095 -10.229 1.00 71.13 H new ATOM 0 HG1 THR A 32 -3.537 14.095 -8.282 1.00 71.22 H new ATOM 0 HG21 THR A 32 -5.502 12.649 -10.566 1.00 20.23 H new ATOM 0 HG22 THR A 32 -5.273 11.032 -9.859 1.00 20.23 H new ATOM 0 HG23 THR A 32 -5.794 12.388 -8.830 1.00 20.23 H new ATOM 506 N THR A 33 -4.728 11.090 -6.327 1.00 61.24 N ATOM 507 CA THR A 33 -5.645 11.311 -5.197 1.00 12.23 C ATOM 508 C THR A 33 -5.608 10.098 -4.241 1.00 53.21 C ATOM 509 O THR A 33 -5.398 8.960 -4.682 1.00 3.11 O ATOM 510 CB THR A 33 -7.101 11.552 -5.736 1.00 14.22 C ATOM 511 OG1 THR A 33 -7.080 12.606 -6.717 1.00 41.21 O ATOM 512 CG2 THR A 33 -8.105 11.923 -4.623 1.00 61.41 C ATOM 0 H THR A 33 -4.729 10.130 -6.672 1.00 61.24 H new ATOM 0 HA THR A 33 -5.329 12.194 -4.641 1.00 12.23 H new ATOM 0 HB THR A 33 -7.435 10.612 -6.175 1.00 14.22 H new ATOM 0 HG1 THR A 33 -7.987 12.756 -7.055 1.00 41.21 H new ATOM 0 HG21 THR A 33 -9.092 12.077 -5.060 1.00 61.41 H new ATOM 0 HG22 THR A 33 -8.153 11.116 -3.892 1.00 61.41 H new ATOM 0 HG23 THR A 33 -7.780 12.839 -4.130 1.00 61.41 H new ATOM 520 N GLU A 34 -5.834 10.363 -2.941 1.00 24.14 N ATOM 521 CA GLU A 34 -5.831 9.338 -1.869 1.00 14.32 C ATOM 522 C GLU A 34 -7.032 8.378 -2.030 1.00 31.03 C ATOM 523 O GLU A 34 -6.978 7.215 -1.613 1.00 31.41 O ATOM 524 CB GLU A 34 -5.874 9.997 -0.453 1.00 73.22 C ATOM 525 CG GLU A 34 -4.742 11.011 -0.141 1.00 3.31 C ATOM 526 CD GLU A 34 -4.886 12.367 -0.848 1.00 53.43 C ATOM 527 OE1 GLU A 34 -5.741 13.174 -0.421 1.00 11.34 O ATOM 528 OE2 GLU A 34 -4.182 12.623 -1.850 1.00 43.23 O ATOM 0 H GLU A 34 -6.026 11.304 -2.597 1.00 24.14 H new ATOM 0 HA GLU A 34 -4.904 8.772 -1.960 1.00 14.32 H new ATOM 0 HB2 GLU A 34 -6.832 10.505 -0.339 1.00 73.22 H new ATOM 0 HB3 GLU A 34 -5.842 9.205 0.296 1.00 73.22 H new ATOM 0 HG2 GLU A 34 -4.709 11.179 0.935 1.00 3.31 H new ATOM 0 HG3 GLU A 34 -3.787 10.568 -0.424 1.00 3.31 H new ATOM 535 N SER A 35 -8.114 8.912 -2.629 1.00 52.45 N ATOM 536 CA SER A 35 -9.329 8.153 -2.972 1.00 35.51 C ATOM 537 C SER A 35 -9.003 7.079 -4.021 1.00 2.42 C ATOM 538 O SER A 35 -9.356 5.910 -3.851 1.00 53.52 O ATOM 539 CB SER A 35 -10.415 9.118 -3.506 1.00 23.13 C ATOM 540 OG SER A 35 -10.567 10.229 -2.639 1.00 33.32 O ATOM 0 H SER A 35 -8.168 9.896 -2.891 1.00 52.45 H new ATOM 0 HA SER A 35 -9.707 7.658 -2.077 1.00 35.51 H new ATOM 0 HB2 SER A 35 -10.143 9.463 -4.504 1.00 23.13 H new ATOM 0 HB3 SER A 35 -11.364 8.590 -3.599 1.00 23.13 H new ATOM 0 HG SER A 35 -11.256 10.829 -2.994 1.00 33.32 H new ATOM 546 N GLU A 36 -8.281 7.499 -5.088 1.00 41.00 N ATOM 547 CA GLU A 36 -7.832 6.601 -6.173 1.00 71.33 C ATOM 548 C GLU A 36 -6.822 5.566 -5.645 1.00 73.03 C ATOM 549 O GLU A 36 -6.751 4.447 -6.153 1.00 40.35 O ATOM 550 CB GLU A 36 -7.211 7.413 -7.349 1.00 0.11 C ATOM 551 CG GLU A 36 -8.150 8.472 -7.974 1.00 50.42 C ATOM 552 CD GLU A 36 -9.503 7.907 -8.457 1.00 24.33 C ATOM 553 OE1 GLU A 36 -9.557 7.285 -9.543 1.00 74.35 O ATOM 554 OE2 GLU A 36 -10.522 8.067 -7.745 1.00 72.42 O ATOM 0 H GLU A 36 -7.995 8.469 -5.218 1.00 41.00 H new ATOM 0 HA GLU A 36 -8.707 6.070 -6.548 1.00 71.33 H new ATOM 0 HB2 GLU A 36 -6.310 7.912 -6.991 1.00 0.11 H new ATOM 0 HB3 GLU A 36 -6.901 6.717 -8.129 1.00 0.11 H new ATOM 0 HG2 GLU A 36 -8.337 9.255 -7.239 1.00 50.42 H new ATOM 0 HG3 GLU A 36 -7.642 8.940 -8.817 1.00 50.42 H new ATOM 561 N LEU A 37 -6.057 5.964 -4.609 1.00 42.40 N ATOM 562 CA LEU A 37 -5.082 5.092 -3.933 1.00 51.11 C ATOM 563 C LEU A 37 -5.788 3.960 -3.166 1.00 2.12 C ATOM 564 O LEU A 37 -5.313 2.818 -3.159 1.00 20.25 O ATOM 565 CB LEU A 37 -4.202 5.926 -2.971 1.00 32.23 C ATOM 566 CG LEU A 37 -3.090 5.147 -2.194 1.00 71.42 C ATOM 567 CD1 LEU A 37 -2.169 4.364 -3.142 1.00 61.24 C ATOM 568 CD2 LEU A 37 -2.272 6.094 -1.313 1.00 61.31 C ATOM 0 H LEU A 37 -6.100 6.905 -4.217 1.00 42.40 H new ATOM 0 HA LEU A 37 -4.447 4.637 -4.693 1.00 51.11 H new ATOM 0 HB2 LEU A 37 -3.725 6.720 -3.546 1.00 32.23 H new ATOM 0 HB3 LEU A 37 -4.854 6.408 -2.243 1.00 32.23 H new ATOM 0 HG LEU A 37 -3.594 4.424 -1.553 1.00 71.42 H new ATOM 0 HD11 LEU A 37 -1.411 3.838 -2.561 1.00 61.24 H new ATOM 0 HD12 LEU A 37 -2.758 3.643 -3.708 1.00 61.24 H new ATOM 0 HD13 LEU A 37 -1.683 5.055 -3.830 1.00 61.24 H new ATOM 0 HD21 LEU A 37 -1.506 5.528 -0.784 1.00 61.31 H new ATOM 0 HD22 LEU A 37 -1.797 6.852 -1.936 1.00 61.31 H new ATOM 0 HD23 LEU A 37 -2.929 6.578 -0.591 1.00 61.31 H new ATOM 580 N GLN A 38 -6.929 4.292 -2.538 1.00 61.00 N ATOM 581 CA GLN A 38 -7.748 3.308 -1.820 1.00 63.32 C ATOM 582 C GLN A 38 -8.303 2.283 -2.823 1.00 30.42 C ATOM 583 O GLN A 38 -8.099 1.088 -2.661 1.00 3.32 O ATOM 584 CB GLN A 38 -8.905 4.009 -1.062 1.00 32.04 C ATOM 585 CG GLN A 38 -9.831 3.047 -0.277 1.00 24.20 C ATOM 586 CD GLN A 38 -11.074 3.707 0.334 1.00 15.33 C ATOM 587 OE1 GLN A 38 -12.128 3.080 0.435 1.00 0.02 O ATOM 588 NE2 GLN A 38 -10.966 4.956 0.770 1.00 42.31 N ATOM 0 H GLN A 38 -7.304 5.240 -2.515 1.00 61.00 H new ATOM 0 HA GLN A 38 -7.129 2.794 -1.084 1.00 63.32 H new ATOM 0 HB2 GLN A 38 -8.481 4.734 -0.367 1.00 32.04 H new ATOM 0 HB3 GLN A 38 -9.506 4.569 -1.779 1.00 32.04 H new ATOM 0 HG2 GLN A 38 -10.152 2.248 -0.945 1.00 24.20 H new ATOM 0 HG3 GLN A 38 -9.254 2.581 0.522 1.00 24.20 H new ATOM 0 HE21 GLN A 38 -10.081 5.455 0.675 1.00 42.31 H new ATOM 0 HE22 GLN A 38 -11.768 5.417 1.200 1.00 42.31 H new ATOM 597 N LYS A 39 -8.932 2.811 -3.891 1.00 52.21 N ATOM 598 CA LYS A 39 -9.596 2.023 -4.950 1.00 54.12 C ATOM 599 C LYS A 39 -8.630 1.037 -5.639 1.00 1.15 C ATOM 600 O LYS A 39 -8.963 -0.149 -5.821 1.00 22.14 O ATOM 601 CB LYS A 39 -10.205 2.994 -5.990 1.00 51.35 C ATOM 602 CG LYS A 39 -11.324 3.907 -5.433 1.00 0.41 C ATOM 603 CD LYS A 39 -11.631 5.106 -6.365 1.00 4.10 C ATOM 604 CE LYS A 39 -12.074 4.698 -7.785 1.00 2.25 C ATOM 605 NZ LYS A 39 -12.305 5.886 -8.660 1.00 21.15 N ATOM 0 H LYS A 39 -8.994 3.817 -4.046 1.00 52.21 H new ATOM 0 HA LYS A 39 -10.380 1.423 -4.488 1.00 54.12 H new ATOM 0 HB2 LYS A 39 -9.409 3.620 -6.394 1.00 51.35 H new ATOM 0 HB3 LYS A 39 -10.606 2.413 -6.820 1.00 51.35 H new ATOM 0 HG2 LYS A 39 -12.231 3.319 -5.292 1.00 0.41 H new ATOM 0 HG3 LYS A 39 -11.030 4.280 -4.452 1.00 0.41 H new ATOM 0 HD2 LYS A 39 -12.414 5.714 -5.912 1.00 4.10 H new ATOM 0 HD3 LYS A 39 -10.742 5.733 -6.439 1.00 4.10 H new ATOM 0 HE2 LYS A 39 -11.313 4.060 -8.233 1.00 2.25 H new ATOM 0 HE3 LYS A 39 -12.989 4.109 -7.724 1.00 2.25 H new ATOM 0 HZ1 LYS A 39 -12.035 5.655 -9.637 1.00 21.15 H new ATOM 0 HZ2 LYS A 39 -13.311 6.148 -8.631 1.00 21.15 H new ATOM 0 HZ3 LYS A 39 -11.730 6.684 -8.322 1.00 21.15 H new ATOM 619 N VAL A 40 -7.424 1.531 -5.999 1.00 45.04 N ATOM 620 CA VAL A 40 -6.442 0.723 -6.725 1.00 13.22 C ATOM 621 C VAL A 40 -5.888 -0.398 -5.820 1.00 4.31 C ATOM 622 O VAL A 40 -5.651 -1.485 -6.304 1.00 3.31 O ATOM 623 CB VAL A 40 -5.268 1.581 -7.348 1.00 13.35 C ATOM 624 CG1 VAL A 40 -4.321 2.164 -6.279 1.00 13.15 C ATOM 625 CG2 VAL A 40 -4.483 0.769 -8.404 1.00 12.02 C ATOM 0 H VAL A 40 -7.117 2.482 -5.796 1.00 45.04 H new ATOM 0 HA VAL A 40 -6.968 0.273 -7.567 1.00 13.22 H new ATOM 0 HB VAL A 40 -5.736 2.431 -7.846 1.00 13.35 H new ATOM 0 HG11 VAL A 40 -3.536 2.743 -6.765 1.00 13.15 H new ATOM 0 HG12 VAL A 40 -4.885 2.811 -5.607 1.00 13.15 H new ATOM 0 HG13 VAL A 40 -3.872 1.351 -5.708 1.00 13.15 H new ATOM 0 HG21 VAL A 40 -3.683 1.384 -8.815 1.00 12.02 H new ATOM 0 HG22 VAL A 40 -4.055 -0.118 -7.937 1.00 12.02 H new ATOM 0 HG23 VAL A 40 -5.157 0.468 -9.206 1.00 12.02 H new ATOM 635 N LEU A 41 -5.724 -0.122 -4.503 1.00 52.42 N ATOM 636 CA LEU A 41 -5.285 -1.136 -3.513 1.00 4.20 C ATOM 637 C LEU A 41 -6.411 -2.138 -3.184 1.00 23.31 C ATOM 638 O LEU A 41 -6.121 -3.297 -2.857 1.00 1.24 O ATOM 639 CB LEU A 41 -4.739 -0.467 -2.210 1.00 21.14 C ATOM 640 CG LEU A 41 -3.178 -0.294 -2.116 1.00 54.43 C ATOM 641 CD1 LEU A 41 -2.438 -1.647 -2.190 1.00 22.42 C ATOM 642 CD2 LEU A 41 -2.634 0.711 -3.152 1.00 4.51 C ATOM 0 H LEU A 41 -5.890 0.800 -4.100 1.00 52.42 H new ATOM 0 HA LEU A 41 -4.468 -1.694 -3.971 1.00 4.20 H new ATOM 0 HB2 LEU A 41 -5.199 0.516 -2.112 1.00 21.14 H new ATOM 0 HB3 LEU A 41 -5.069 -1.060 -1.357 1.00 21.14 H new ATOM 0 HG LEU A 41 -2.976 0.129 -1.132 1.00 54.43 H new ATOM 0 HD11 LEU A 41 -1.363 -1.478 -2.121 1.00 22.42 H new ATOM 0 HD12 LEU A 41 -2.759 -2.283 -1.365 1.00 22.42 H new ATOM 0 HD13 LEU A 41 -2.669 -2.137 -3.136 1.00 22.42 H new ATOM 0 HD21 LEU A 41 -1.552 0.794 -3.045 1.00 4.51 H new ATOM 0 HD22 LEU A 41 -2.874 0.363 -4.157 1.00 4.51 H new ATOM 0 HD23 LEU A 41 -3.091 1.687 -2.987 1.00 4.51 H new ATOM 654 N ASN A 42 -7.678 -1.681 -3.274 1.00 14.12 N ATOM 655 CA ASN A 42 -8.860 -2.541 -3.026 1.00 2.33 C ATOM 656 C ASN A 42 -8.857 -3.725 -4.003 1.00 1.12 C ATOM 657 O ASN A 42 -9.013 -4.877 -3.585 1.00 50.24 O ATOM 658 CB ASN A 42 -10.203 -1.754 -3.140 1.00 25.31 C ATOM 659 CG ASN A 42 -10.435 -0.738 -2.013 1.00 2.15 C ATOM 660 OD1 ASN A 42 -9.947 -0.899 -0.897 1.00 52.42 O ATOM 661 ND2 ASN A 42 -11.210 0.302 -2.291 1.00 62.31 N ATOM 0 H ASN A 42 -7.911 -0.718 -3.517 1.00 14.12 H new ATOM 0 HA ASN A 42 -8.788 -2.907 -2.002 1.00 2.33 H new ATOM 0 HB2 ASN A 42 -10.224 -1.231 -4.096 1.00 25.31 H new ATOM 0 HB3 ASN A 42 -11.029 -2.466 -3.148 1.00 25.31 H new ATOM 0 HD21 ASN A 42 -11.414 0.993 -1.569 1.00 62.31 H new ATOM 0 HD22 ASN A 42 -11.602 0.410 -3.227 1.00 62.31 H new ATOM 668 N GLU A 43 -8.639 -3.425 -5.305 1.00 20.12 N ATOM 669 CA GLU A 43 -8.532 -4.466 -6.345 1.00 61.22 C ATOM 670 C GLU A 43 -7.133 -5.116 -6.356 1.00 72.15 C ATOM 671 O GLU A 43 -7.018 -6.316 -6.641 1.00 21.13 O ATOM 672 CB GLU A 43 -8.883 -3.915 -7.756 1.00 4.32 C ATOM 673 CG GLU A 43 -7.953 -2.806 -8.288 1.00 1.40 C ATOM 674 CD GLU A 43 -8.186 -2.483 -9.774 1.00 50.30 C ATOM 675 OE1 GLU A 43 -7.674 -3.226 -10.642 1.00 35.10 O ATOM 676 OE2 GLU A 43 -8.901 -1.504 -10.083 1.00 32.21 O ATOM 0 H GLU A 43 -8.535 -2.473 -5.656 1.00 20.12 H new ATOM 0 HA GLU A 43 -9.264 -5.234 -6.093 1.00 61.22 H new ATOM 0 HB2 GLU A 43 -8.872 -4.744 -8.463 1.00 4.32 H new ATOM 0 HB3 GLU A 43 -9.902 -3.530 -7.733 1.00 4.32 H new ATOM 0 HG2 GLU A 43 -8.102 -1.902 -7.698 1.00 1.40 H new ATOM 0 HG3 GLU A 43 -6.916 -3.111 -8.147 1.00 1.40 H new ATOM 683 N LEU A 44 -6.078 -4.325 -6.020 1.00 74.31 N ATOM 684 CA LEU A 44 -4.668 -4.789 -6.063 1.00 31.14 C ATOM 685 C LEU A 44 -4.453 -5.962 -5.102 1.00 52.13 C ATOM 686 O LEU A 44 -3.620 -6.811 -5.349 1.00 5.20 O ATOM 687 CB LEU A 44 -3.670 -3.640 -5.743 1.00 21.13 C ATOM 688 CG LEU A 44 -2.151 -3.977 -5.863 1.00 42.44 C ATOM 689 CD1 LEU A 44 -1.822 -4.569 -7.239 1.00 22.04 C ATOM 690 CD2 LEU A 44 -1.272 -2.747 -5.561 1.00 32.42 C ATOM 0 H LEU A 44 -6.181 -3.357 -5.715 1.00 74.31 H new ATOM 0 HA LEU A 44 -4.470 -5.126 -7.081 1.00 31.14 H new ATOM 0 HB2 LEU A 44 -3.887 -2.805 -6.410 1.00 21.13 H new ATOM 0 HB3 LEU A 44 -3.863 -3.295 -4.727 1.00 21.13 H new ATOM 0 HG LEU A 44 -1.924 -4.733 -5.111 1.00 42.44 H new ATOM 0 HD11 LEU A 44 -0.757 -4.794 -7.293 1.00 22.04 H new ATOM 0 HD12 LEU A 44 -2.394 -5.485 -7.387 1.00 22.04 H new ATOM 0 HD13 LEU A 44 -2.081 -3.850 -8.016 1.00 22.04 H new ATOM 0 HD21 LEU A 44 -0.221 -3.019 -5.654 1.00 32.42 H new ATOM 0 HD22 LEU A 44 -1.505 -1.951 -6.268 1.00 32.42 H new ATOM 0 HD23 LEU A 44 -1.468 -2.400 -4.547 1.00 32.42 H new ATOM 702 N LYS A 45 -5.252 -5.983 -4.033 1.00 41.42 N ATOM 703 CA LYS A 45 -5.318 -7.076 -3.051 1.00 34.21 C ATOM 704 C LYS A 45 -5.394 -8.477 -3.719 1.00 21.52 C ATOM 705 O LYS A 45 -4.653 -9.399 -3.350 1.00 74.24 O ATOM 706 CB LYS A 45 -6.562 -6.831 -2.173 1.00 32.12 C ATOM 707 CG LYS A 45 -6.799 -7.883 -1.087 1.00 24.33 C ATOM 708 CD LYS A 45 -8.115 -7.662 -0.330 1.00 12.23 C ATOM 709 CE LYS A 45 -9.369 -7.737 -1.220 1.00 60.31 C ATOM 710 NZ LYS A 45 -10.610 -7.548 -0.420 1.00 54.33 N ATOM 0 H LYS A 45 -5.892 -5.218 -3.817 1.00 41.42 H new ATOM 0 HA LYS A 45 -4.405 -7.076 -2.456 1.00 34.21 H new ATOM 0 HB2 LYS A 45 -6.468 -5.854 -1.698 1.00 32.12 H new ATOM 0 HB3 LYS A 45 -7.441 -6.789 -2.816 1.00 32.12 H new ATOM 0 HG2 LYS A 45 -6.807 -8.874 -1.541 1.00 24.33 H new ATOM 0 HG3 LYS A 45 -5.970 -7.864 -0.380 1.00 24.33 H new ATOM 0 HD2 LYS A 45 -8.198 -8.408 0.460 1.00 12.23 H new ATOM 0 HD3 LYS A 45 -8.084 -6.686 0.155 1.00 12.23 H new ATOM 0 HE2 LYS A 45 -9.314 -6.973 -1.996 1.00 60.31 H new ATOM 0 HE3 LYS A 45 -9.402 -8.702 -1.725 1.00 60.31 H new ATOM 0 HZ1 LYS A 45 -11.374 -8.127 -0.822 1.00 54.33 H new ATOM 0 HZ2 LYS A 45 -10.437 -7.838 0.563 1.00 54.33 H new ATOM 0 HZ3 LYS A 45 -10.888 -6.546 -0.441 1.00 54.33 H new ATOM 724 N ASP A 46 -6.281 -8.579 -4.730 1.00 64.11 N ATOM 725 CA ASP A 46 -6.518 -9.806 -5.517 1.00 42.43 C ATOM 726 C ASP A 46 -5.262 -10.190 -6.335 1.00 15.21 C ATOM 727 O ASP A 46 -4.879 -11.360 -6.378 1.00 44.31 O ATOM 728 CB ASP A 46 -7.743 -9.582 -6.448 1.00 14.04 C ATOM 729 CG ASP A 46 -8.108 -10.802 -7.322 1.00 70.42 C ATOM 730 OD1 ASP A 46 -8.693 -11.771 -6.787 1.00 12.23 O ATOM 731 OD2 ASP A 46 -7.815 -10.795 -8.542 1.00 23.51 O ATOM 0 H ASP A 46 -6.863 -7.796 -5.028 1.00 64.11 H new ATOM 0 HA ASP A 46 -6.728 -10.634 -4.840 1.00 42.43 H new ATOM 0 HB2 ASP A 46 -8.606 -9.317 -5.837 1.00 14.04 H new ATOM 0 HB3 ASP A 46 -7.540 -8.731 -7.099 1.00 14.04 H new ATOM 736 N TYR A 47 -4.621 -9.172 -6.948 1.00 13.11 N ATOM 737 CA TYR A 47 -3.409 -9.338 -7.787 1.00 32.45 C ATOM 738 C TYR A 47 -2.194 -9.810 -6.954 1.00 73.45 C ATOM 739 O TYR A 47 -1.436 -10.689 -7.375 1.00 51.41 O ATOM 740 CB TYR A 47 -3.043 -8.004 -8.473 1.00 44.23 C ATOM 741 CG TYR A 47 -4.048 -7.454 -9.497 1.00 61.24 C ATOM 742 CD1 TYR A 47 -5.103 -6.641 -9.095 1.00 14.11 C ATOM 743 CD2 TYR A 47 -3.909 -7.703 -10.864 1.00 45.21 C ATOM 744 CE1 TYR A 47 -5.985 -6.100 -10.002 1.00 52.30 C ATOM 745 CE2 TYR A 47 -4.788 -7.153 -11.781 1.00 74.23 C ATOM 746 CZ TYR A 47 -5.824 -6.351 -11.342 1.00 74.30 C ATOM 747 OH TYR A 47 -6.703 -5.795 -12.249 1.00 53.23 O ATOM 0 H TYR A 47 -4.931 -8.203 -6.875 1.00 13.11 H new ATOM 0 HA TYR A 47 -3.642 -10.097 -8.534 1.00 32.45 H new ATOM 0 HB2 TYR A 47 -2.901 -7.251 -7.698 1.00 44.23 H new ATOM 0 HB3 TYR A 47 -2.083 -8.131 -8.973 1.00 44.23 H new ATOM 0 HD1 TYR A 47 -5.233 -6.429 -8.044 1.00 14.11 H new ATOM 0 HD2 TYR A 47 -3.104 -8.334 -11.211 1.00 45.21 H new ATOM 0 HE1 TYR A 47 -6.801 -5.480 -9.661 1.00 52.30 H new ATOM 0 HE2 TYR A 47 -4.665 -7.350 -12.836 1.00 74.23 H new ATOM 0 HH TYR A 47 -7.085 -4.974 -11.873 1.00 53.23 H new ATOM 757 N ILE A 48 -2.023 -9.177 -5.783 1.00 43.53 N ATOM 758 CA ILE A 48 -0.955 -9.479 -4.814 1.00 24.45 C ATOM 759 C ILE A 48 -1.065 -10.945 -4.350 1.00 65.51 C ATOM 760 O ILE A 48 -0.060 -11.644 -4.237 1.00 72.01 O ATOM 761 CB ILE A 48 -1.051 -8.496 -3.577 1.00 61.45 C ATOM 762 CG1 ILE A 48 -0.737 -7.022 -4.002 1.00 14.13 C ATOM 763 CG2 ILE A 48 -0.144 -8.934 -2.403 1.00 4.35 C ATOM 764 CD1 ILE A 48 -0.932 -5.983 -2.897 1.00 12.51 C ATOM 0 H ILE A 48 -2.637 -8.423 -5.475 1.00 43.53 H new ATOM 0 HA ILE A 48 0.013 -9.338 -5.294 1.00 24.45 H new ATOM 0 HB ILE A 48 -2.080 -8.541 -3.220 1.00 61.45 H new ATOM 0 HG12 ILE A 48 0.294 -6.971 -4.352 1.00 14.13 H new ATOM 0 HG13 ILE A 48 -1.374 -6.758 -4.846 1.00 14.13 H new ATOM 0 HG21 ILE A 48 -0.247 -8.227 -1.580 1.00 4.35 H new ATOM 0 HG22 ILE A 48 -0.439 -9.928 -2.066 1.00 4.35 H new ATOM 0 HG23 ILE A 48 0.894 -8.957 -2.734 1.00 4.35 H new ATOM 0 HD11 ILE A 48 -0.691 -4.992 -3.283 1.00 12.51 H new ATOM 0 HD12 ILE A 48 -1.969 -6.000 -2.561 1.00 12.51 H new ATOM 0 HD13 ILE A 48 -0.275 -6.216 -2.059 1.00 12.51 H new ATOM 776 N LYS A 49 -2.317 -11.388 -4.141 1.00 52.25 N ATOM 777 CA LYS A 49 -2.641 -12.741 -3.666 1.00 61.41 C ATOM 778 C LYS A 49 -2.287 -13.820 -4.722 1.00 63.14 C ATOM 779 O LYS A 49 -1.959 -14.959 -4.365 1.00 62.12 O ATOM 780 CB LYS A 49 -4.142 -12.795 -3.286 1.00 61.42 C ATOM 781 CG LYS A 49 -4.564 -14.058 -2.509 1.00 45.03 C ATOM 782 CD LYS A 49 -6.041 -14.012 -2.066 1.00 63.40 C ATOM 783 CE LYS A 49 -6.460 -15.257 -1.269 1.00 53.40 C ATOM 784 NZ LYS A 49 -6.375 -16.491 -2.091 1.00 71.14 N ATOM 0 H LYS A 49 -3.141 -10.808 -4.300 1.00 52.25 H new ATOM 0 HA LYS A 49 -2.037 -12.961 -2.785 1.00 61.41 H new ATOM 0 HB2 LYS A 49 -4.383 -11.918 -2.685 1.00 61.42 H new ATOM 0 HB3 LYS A 49 -4.736 -12.730 -4.197 1.00 61.42 H new ATOM 0 HG2 LYS A 49 -4.403 -14.936 -3.134 1.00 45.03 H new ATOM 0 HG3 LYS A 49 -3.928 -14.170 -1.631 1.00 45.03 H new ATOM 0 HD2 LYS A 49 -6.206 -13.123 -1.457 1.00 63.40 H new ATOM 0 HD3 LYS A 49 -6.677 -13.918 -2.946 1.00 63.40 H new ATOM 0 HE2 LYS A 49 -5.821 -15.359 -0.392 1.00 53.40 H new ATOM 0 HE3 LYS A 49 -7.480 -15.131 -0.907 1.00 53.40 H new ATOM 0 HZ1 LYS A 49 -6.761 -17.293 -1.554 1.00 71.14 H new ATOM 0 HZ2 LYS A 49 -6.924 -16.364 -2.965 1.00 71.14 H new ATOM 0 HZ3 LYS A 49 -5.381 -16.681 -2.331 1.00 71.14 H new ATOM 798 N LYS A 50 -2.339 -13.438 -6.021 1.00 22.44 N ATOM 799 CA LYS A 50 -1.942 -14.322 -7.149 1.00 63.43 C ATOM 800 C LYS A 50 -0.450 -14.706 -7.044 1.00 14.11 C ATOM 801 O LYS A 50 -0.073 -15.863 -7.236 1.00 73.51 O ATOM 802 CB LYS A 50 -2.186 -13.621 -8.516 1.00 64.41 C ATOM 803 CG LYS A 50 -3.628 -13.142 -8.760 1.00 3.23 C ATOM 804 CD LYS A 50 -3.772 -12.392 -10.107 1.00 73.54 C ATOM 805 CE LYS A 50 -5.159 -11.762 -10.293 1.00 20.53 C ATOM 806 NZ LYS A 50 -6.250 -12.766 -10.216 1.00 61.15 N ATOM 0 H LYS A 50 -2.655 -12.515 -6.317 1.00 22.44 H new ATOM 0 HA LYS A 50 -2.555 -15.222 -7.090 1.00 63.43 H new ATOM 0 HB2 LYS A 50 -1.518 -12.763 -8.590 1.00 64.41 H new ATOM 0 HB3 LYS A 50 -1.909 -14.310 -9.314 1.00 64.41 H new ATOM 0 HG2 LYS A 50 -4.301 -13.999 -8.749 1.00 3.23 H new ATOM 0 HG3 LYS A 50 -3.934 -12.486 -7.945 1.00 3.23 H new ATOM 0 HD2 LYS A 50 -3.013 -11.612 -10.166 1.00 73.54 H new ATOM 0 HD3 LYS A 50 -3.580 -13.086 -10.926 1.00 73.54 H new ATOM 0 HE2 LYS A 50 -5.315 -11.000 -9.529 1.00 20.53 H new ATOM 0 HE3 LYS A 50 -5.200 -11.258 -11.259 1.00 20.53 H new ATOM 0 HZ1 LYS A 50 -6.852 -12.690 -11.061 1.00 61.15 H new ATOM 0 HZ2 LYS A 50 -5.840 -13.721 -10.168 1.00 61.15 H new ATOM 0 HZ3 LYS A 50 -6.823 -12.592 -9.366 1.00 61.15 H new ATOM 876 N ARG A 55 5.917 -13.756 0.271 1.00 31.30 N ATOM 877 CA ARG A 55 5.628 -12.406 0.793 1.00 2.41 C ATOM 878 C ARG A 55 5.582 -11.377 -0.346 1.00 22.04 C ATOM 879 O ARG A 55 6.133 -11.606 -1.429 1.00 2.44 O ATOM 880 CB ARG A 55 6.685 -11.984 1.859 1.00 72.40 C ATOM 881 CG ARG A 55 8.124 -11.728 1.322 1.00 41.15 C ATOM 882 CD ARG A 55 9.141 -11.457 2.448 1.00 0.31 C ATOM 883 NE ARG A 55 10.426 -10.951 1.932 1.00 70.51 N ATOM 884 CZ ARG A 55 11.627 -11.143 2.500 1.00 44.41 C ATOM 885 NH1 ARG A 55 11.752 -11.841 3.619 1.00 43.13 N ATOM 886 NH2 ARG A 55 12.705 -10.636 1.931 1.00 73.34 N ATOM 0 HA ARG A 55 4.649 -12.436 1.271 1.00 2.41 H new ATOM 0 HB2 ARG A 55 6.335 -11.077 2.351 1.00 72.40 H new ATOM 0 HB3 ARG A 55 6.735 -12.762 2.621 1.00 72.40 H new ATOM 0 HG2 ARG A 55 8.450 -12.592 0.744 1.00 41.15 H new ATOM 0 HG3 ARG A 55 8.107 -10.877 0.641 1.00 41.15 H new ATOM 0 HD2 ARG A 55 8.722 -10.733 3.146 1.00 0.31 H new ATOM 0 HD3 ARG A 55 9.313 -12.376 3.008 1.00 0.31 H new ATOM 0 HE ARG A 55 10.400 -10.408 1.069 1.00 70.51 H new ATOM 0 HH11 ARG A 55 10.927 -12.243 4.064 1.00 43.13 H new ATOM 0 HH12 ARG A 55 12.673 -11.976 4.036 1.00 43.13 H new ATOM 0 HH21 ARG A 55 12.622 -10.103 1.066 1.00 73.34 H new ATOM 0 HH22 ARG A 55 13.621 -10.778 2.357 1.00 73.34 H new ATOM 900 N SER A 56 4.933 -10.240 -0.078 1.00 24.52 N ATOM 901 CA SER A 56 4.922 -9.077 -0.972 1.00 34.24 C ATOM 902 C SER A 56 5.240 -7.821 -0.157 1.00 64.11 C ATOM 903 O SER A 56 4.807 -7.701 0.987 1.00 30.32 O ATOM 904 CB SER A 56 3.550 -8.956 -1.656 1.00 20.42 C ATOM 905 OG SER A 56 2.507 -8.967 -0.705 1.00 12.34 O ATOM 0 H SER A 56 4.394 -10.099 0.776 1.00 24.52 H new ATOM 0 HA SER A 56 5.677 -9.196 -1.749 1.00 34.24 H new ATOM 0 HB2 SER A 56 3.509 -8.034 -2.235 1.00 20.42 H new ATOM 0 HB3 SER A 56 3.416 -9.779 -2.358 1.00 20.42 H new ATOM 0 HG SER A 56 2.409 -8.073 -0.317 1.00 12.34 H new ATOM 911 N ARG A 57 5.984 -6.894 -0.760 1.00 44.51 N ATOM 912 CA ARG A 57 6.461 -5.667 -0.115 1.00 64.32 C ATOM 913 C ARG A 57 5.923 -4.463 -0.896 1.00 30.33 C ATOM 914 O ARG A 57 6.342 -4.232 -2.030 1.00 1.44 O ATOM 915 CB ARG A 57 8.016 -5.700 -0.113 1.00 23.12 C ATOM 916 CG ARG A 57 8.720 -4.421 0.392 1.00 64.55 C ATOM 917 CD ARG A 57 10.252 -4.593 0.478 1.00 32.52 C ATOM 918 NE ARG A 57 10.872 -4.945 -0.822 1.00 63.20 N ATOM 919 CZ ARG A 57 11.508 -6.105 -1.102 1.00 23.12 C ATOM 920 NH1 ARG A 57 11.617 -7.070 -0.186 1.00 73.25 N ATOM 921 NH2 ARG A 57 12.027 -6.292 -2.301 1.00 33.13 N ATOM 0 H ARG A 57 6.280 -6.976 -1.733 1.00 44.51 H new ATOM 0 HA ARG A 57 6.110 -5.588 0.914 1.00 64.32 H new ATOM 0 HB2 ARG A 57 8.341 -6.538 0.504 1.00 23.12 H new ATOM 0 HB3 ARG A 57 8.357 -5.901 -1.129 1.00 23.12 H new ATOM 0 HG2 ARG A 57 8.486 -3.592 -0.276 1.00 64.55 H new ATOM 0 HG3 ARG A 57 8.330 -4.158 1.375 1.00 64.55 H new ATOM 0 HD2 ARG A 57 10.695 -3.668 0.846 1.00 32.52 H new ATOM 0 HD3 ARG A 57 10.484 -5.370 1.207 1.00 32.52 H new ATOM 0 HE ARG A 57 10.814 -4.253 -1.569 1.00 63.20 H new ATOM 0 HH11 ARG A 57 11.217 -6.939 0.743 1.00 73.25 H new ATOM 0 HH12 ARG A 57 12.100 -7.938 -0.415 1.00 73.25 H new ATOM 0 HH21 ARG A 57 11.947 -5.564 -3.011 1.00 33.13 H new ATOM 0 HH22 ARG A 57 12.508 -7.165 -2.518 1.00 33.13 H new ATOM 935 N THR A 58 4.981 -3.708 -0.300 1.00 54.14 N ATOM 936 CA THR A 58 4.362 -2.541 -0.961 1.00 34.24 C ATOM 937 C THR A 58 4.884 -1.246 -0.322 1.00 14.04 C ATOM 938 O THR A 58 4.690 -1.032 0.875 1.00 12.41 O ATOM 939 CB THR A 58 2.797 -2.562 -0.863 1.00 23.34 C ATOM 940 OG1 THR A 58 2.312 -3.899 -1.033 1.00 22.12 O ATOM 941 CG2 THR A 58 2.156 -1.644 -1.935 1.00 72.04 C ATOM 0 H THR A 58 4.630 -3.885 0.641 1.00 54.14 H new ATOM 0 HA THR A 58 4.634 -2.586 -2.016 1.00 34.24 H new ATOM 0 HB THR A 58 2.519 -2.191 0.124 1.00 23.34 H new ATOM 0 HG1 THR A 58 2.529 -4.429 -0.238 1.00 22.12 H new ATOM 0 HG21 THR A 58 1.071 -1.679 -1.842 1.00 72.04 H new ATOM 0 HG22 THR A 58 2.500 -0.620 -1.790 1.00 72.04 H new ATOM 0 HG23 THR A 58 2.447 -1.987 -2.928 1.00 72.04 H new ATOM 949 N SER A 59 5.557 -0.411 -1.121 1.00 52.03 N ATOM 950 CA SER A 59 6.039 0.909 -0.704 1.00 3.45 C ATOM 951 C SER A 59 5.210 1.993 -1.419 1.00 55.34 C ATOM 952 O SER A 59 5.162 2.030 -2.655 1.00 23.13 O ATOM 953 CB SER A 59 7.537 1.031 -1.055 1.00 43.35 C ATOM 954 OG SER A 59 8.274 -0.008 -0.435 1.00 65.01 O ATOM 0 H SER A 59 5.785 -0.637 -2.089 1.00 52.03 H new ATOM 0 HA SER A 59 5.925 1.039 0.372 1.00 3.45 H new ATOM 0 HB2 SER A 59 7.669 0.985 -2.136 1.00 43.35 H new ATOM 0 HB3 SER A 59 7.916 2.000 -0.729 1.00 43.35 H new ATOM 0 HG SER A 59 8.419 0.212 0.509 1.00 65.01 H new ATOM 960 N ILE A 60 4.536 2.846 -0.630 1.00 45.21 N ATOM 961 CA ILE A 60 3.737 3.979 -1.143 1.00 74.13 C ATOM 962 C ILE A 60 4.415 5.294 -0.725 1.00 32.34 C ATOM 963 O ILE A 60 4.720 5.482 0.464 1.00 42.54 O ATOM 964 CB ILE A 60 2.257 3.945 -0.588 1.00 33.21 C ATOM 965 CG1 ILE A 60 1.494 2.675 -1.087 1.00 71.32 C ATOM 966 CG2 ILE A 60 1.478 5.233 -0.955 1.00 52.23 C ATOM 967 CD1 ILE A 60 0.054 2.570 -0.594 1.00 12.33 C ATOM 0 H ILE A 60 4.528 2.771 0.387 1.00 45.21 H new ATOM 0 HA ILE A 60 3.686 3.904 -2.229 1.00 74.13 H new ATOM 0 HB ILE A 60 2.323 3.897 0.499 1.00 33.21 H new ATOM 0 HG12 ILE A 60 1.493 2.672 -2.177 1.00 71.32 H new ATOM 0 HG13 ILE A 60 2.041 1.788 -0.766 1.00 71.32 H new ATOM 0 HG21 ILE A 60 0.465 5.172 -0.556 1.00 52.23 H new ATOM 0 HG22 ILE A 60 1.984 6.099 -0.528 1.00 52.23 H new ATOM 0 HG23 ILE A 60 1.435 5.336 -2.039 1.00 52.23 H new ATOM 0 HD11 ILE A 60 -0.400 1.660 -0.987 1.00 12.33 H new ATOM 0 HD12 ILE A 60 0.044 2.539 0.496 1.00 12.33 H new ATOM 0 HD13 ILE A 60 -0.512 3.436 -0.937 1.00 12.33 H new ATOM 979 N THR A 61 4.656 6.187 -1.705 1.00 65.32 N ATOM 980 CA THR A 61 5.174 7.532 -1.452 1.00 52.05 C ATOM 981 C THR A 61 4.121 8.355 -0.689 1.00 64.12 C ATOM 982 O THR A 61 3.130 8.824 -1.266 1.00 70.41 O ATOM 983 CB THR A 61 5.537 8.257 -2.789 1.00 62.50 C ATOM 984 OG1 THR A 61 6.459 7.451 -3.536 1.00 22.12 O ATOM 985 CG2 THR A 61 6.145 9.662 -2.556 1.00 64.44 C ATOM 0 H THR A 61 4.495 5.989 -2.692 1.00 65.32 H new ATOM 0 HA THR A 61 6.081 7.443 -0.853 1.00 52.05 H new ATOM 0 HB THR A 61 4.611 8.393 -3.348 1.00 62.50 H new ATOM 0 HG1 THR A 61 6.938 8.013 -4.180 1.00 22.12 H new ATOM 0 HG21 THR A 61 6.379 10.121 -3.517 1.00 64.44 H new ATOM 0 HG22 THR A 61 5.428 10.285 -2.021 1.00 64.44 H new ATOM 0 HG23 THR A 61 7.057 9.571 -1.966 1.00 64.44 H new ATOM 993 N ALA A 62 4.332 8.483 0.616 1.00 5.35 N ATOM 994 CA ALA A 62 3.518 9.325 1.482 1.00 50.33 C ATOM 995 C ALA A 62 4.275 10.634 1.700 1.00 1.41 C ATOM 996 O ALA A 62 5.425 10.626 2.147 1.00 14.32 O ATOM 997 CB ALA A 62 3.228 8.582 2.783 1.00 64.03 C ATOM 0 H ALA A 62 5.083 7.998 1.108 1.00 5.35 H new ATOM 0 HA ALA A 62 2.552 9.558 1.034 1.00 50.33 H new ATOM 0 HB1 ALA A 62 2.619 9.210 3.433 1.00 64.03 H new ATOM 0 HB2 ALA A 62 2.691 7.659 2.563 1.00 64.03 H new ATOM 0 HB3 ALA A 62 4.167 8.345 3.284 1.00 64.03 H new ATOM 1003 N ARG A 63 3.636 11.746 1.324 1.00 74.41 N ATOM 1004 CA ARG A 63 4.286 13.066 1.264 1.00 10.14 C ATOM 1005 C ARG A 63 4.660 13.603 2.655 1.00 14.00 C ATOM 1006 O ARG A 63 5.640 14.342 2.808 1.00 43.50 O ATOM 1007 CB ARG A 63 3.375 14.044 0.486 1.00 42.22 C ATOM 1008 CG ARG A 63 3.244 13.692 -1.024 1.00 61.12 C ATOM 1009 CD ARG A 63 4.623 13.639 -1.718 1.00 54.11 C ATOM 1010 NE ARG A 63 4.554 13.402 -3.163 1.00 53.53 N ATOM 1011 CZ ARG A 63 5.632 13.272 -3.963 1.00 22.33 C ATOM 1012 NH1 ARG A 63 6.873 13.355 -3.467 1.00 65.01 N ATOM 1013 NH2 ARG A 63 5.460 13.068 -5.256 1.00 35.10 N ATOM 0 H ARG A 63 2.653 11.760 1.052 1.00 74.41 H new ATOM 0 HA ARG A 63 5.232 12.963 0.732 1.00 10.14 H new ATOM 0 HB2 ARG A 63 2.384 14.045 0.939 1.00 42.22 H new ATOM 0 HB3 ARG A 63 3.771 15.055 0.584 1.00 42.22 H new ATOM 0 HG2 ARG A 63 2.745 12.729 -1.132 1.00 61.12 H new ATOM 0 HG3 ARG A 63 2.616 14.434 -1.518 1.00 61.12 H new ATOM 0 HD2 ARG A 63 5.145 14.579 -1.539 1.00 54.11 H new ATOM 0 HD3 ARG A 63 5.219 12.851 -1.259 1.00 54.11 H new ATOM 0 HE ARG A 63 3.631 13.331 -3.591 1.00 53.53 H new ATOM 0 HH11 ARG A 63 7.014 13.519 -2.470 1.00 65.01 H new ATOM 0 HH12 ARG A 63 7.677 13.254 -4.086 1.00 65.01 H new ATOM 0 HH21 ARG A 63 4.518 13.010 -5.642 1.00 35.10 H new ATOM 0 HH22 ARG A 63 6.269 12.969 -5.869 1.00 35.10 H new ATOM 1027 N THR A 64 3.873 13.223 3.656 1.00 31.25 N ATOM 1028 CA THR A 64 4.160 13.489 5.069 1.00 20.23 C ATOM 1029 C THR A 64 3.981 12.187 5.866 1.00 23.11 C ATOM 1030 O THR A 64 3.482 11.181 5.335 1.00 4.44 O ATOM 1031 CB THR A 64 3.221 14.601 5.647 1.00 43.34 C ATOM 1032 OG1 THR A 64 1.845 14.216 5.487 1.00 12.24 O ATOM 1033 CG2 THR A 64 3.447 15.973 4.986 1.00 42.13 C ATOM 0 H THR A 64 3.002 12.713 3.510 1.00 31.25 H new ATOM 0 HA THR A 64 5.186 13.847 5.155 1.00 20.23 H new ATOM 0 HB THR A 64 3.466 14.702 6.704 1.00 43.34 H new ATOM 0 HG1 THR A 64 1.422 14.787 4.813 1.00 12.24 H new ATOM 0 HG21 THR A 64 2.769 16.705 5.426 1.00 42.13 H new ATOM 0 HG22 THR A 64 4.477 16.290 5.148 1.00 42.13 H new ATOM 0 HG23 THR A 64 3.255 15.897 3.916 1.00 42.13 H new ATOM 1041 N LYS A 65 4.387 12.215 7.143 1.00 72.24 N ATOM 1042 CA LYS A 65 4.117 11.119 8.093 1.00 73.12 C ATOM 1043 C LYS A 65 2.594 10.978 8.348 1.00 53.30 C ATOM 1044 O LYS A 65 2.105 9.887 8.629 1.00 42.33 O ATOM 1045 CB LYS A 65 4.947 11.326 9.404 1.00 34.03 C ATOM 1046 CG LYS A 65 4.762 12.686 10.132 1.00 1.24 C ATOM 1047 CD LYS A 65 3.529 12.753 11.067 1.00 40.53 C ATOM 1048 CE LYS A 65 3.598 11.762 12.243 1.00 52.30 C ATOM 1049 NZ LYS A 65 4.791 11.989 13.099 1.00 22.34 N ATOM 0 H LYS A 65 4.909 12.992 7.548 1.00 72.24 H new ATOM 0 HA LYS A 65 4.442 10.172 7.661 1.00 73.12 H new ATOM 0 HB2 LYS A 65 4.690 10.528 10.101 1.00 34.03 H new ATOM 0 HB3 LYS A 65 6.003 11.209 9.161 1.00 34.03 H new ATOM 0 HG2 LYS A 65 5.657 12.895 10.717 1.00 1.24 H new ATOM 0 HG3 LYS A 65 4.678 13.475 9.385 1.00 1.24 H new ATOM 0 HD2 LYS A 65 3.435 13.765 11.460 1.00 40.53 H new ATOM 0 HD3 LYS A 65 2.630 12.552 10.485 1.00 40.53 H new ATOM 0 HE2 LYS A 65 2.696 11.855 12.848 1.00 52.30 H new ATOM 0 HE3 LYS A 65 3.619 10.743 11.857 1.00 52.30 H new ATOM 0 HZ1 LYS A 65 4.727 11.393 13.949 1.00 22.34 H new ATOM 0 HZ2 LYS A 65 5.651 11.744 12.568 1.00 22.34 H new ATOM 0 HZ3 LYS A 65 4.831 12.990 13.380 1.00 22.34 H new ATOM 1063 N LYS A 66 1.870 12.113 8.212 1.00 55.24 N ATOM 1064 CA LYS A 66 0.395 12.172 8.261 1.00 54.50 C ATOM 1065 C LYS A 66 -0.211 11.277 7.162 1.00 45.52 C ATOM 1066 O LYS A 66 -1.147 10.507 7.419 1.00 0.32 O ATOM 1067 CB LYS A 66 -0.068 13.652 8.098 1.00 42.44 C ATOM 1068 CG LYS A 66 -1.596 13.858 7.941 1.00 15.52 C ATOM 1069 CD LYS A 66 -2.403 13.492 9.208 1.00 72.13 C ATOM 1070 CE LYS A 66 -3.913 13.349 8.926 1.00 63.34 C ATOM 1071 NZ LYS A 66 -4.521 14.562 8.310 1.00 62.13 N ATOM 0 H LYS A 66 2.302 13.025 8.063 1.00 55.24 H new ATOM 0 HA LYS A 66 0.046 11.800 9.224 1.00 54.50 H new ATOM 0 HB2 LYS A 66 0.270 14.218 8.966 1.00 42.44 H new ATOM 0 HB3 LYS A 66 0.430 14.077 7.226 1.00 42.44 H new ATOM 0 HG2 LYS A 66 -1.789 14.900 7.685 1.00 15.52 H new ATOM 0 HG3 LYS A 66 -1.952 13.254 7.107 1.00 15.52 H new ATOM 0 HD2 LYS A 66 -2.023 12.557 9.619 1.00 72.13 H new ATOM 0 HD3 LYS A 66 -2.249 14.259 9.967 1.00 72.13 H new ATOM 0 HE2 LYS A 66 -4.072 12.497 8.265 1.00 63.34 H new ATOM 0 HE3 LYS A 66 -4.429 13.128 9.860 1.00 63.34 H new ATOM 0 HZ1 LYS A 66 -5.535 14.398 8.148 1.00 62.13 H new ATOM 0 HZ2 LYS A 66 -4.400 15.374 8.949 1.00 62.13 H new ATOM 0 HZ3 LYS A 66 -4.053 14.762 7.403 1.00 62.13 H new ATOM 1085 N GLU A 67 0.361 11.375 5.945 1.00 11.55 N ATOM 1086 CA GLU A 67 -0.035 10.526 4.816 1.00 62.12 C ATOM 1087 C GLU A 67 0.307 9.046 5.118 1.00 45.40 C ATOM 1088 O GLU A 67 -0.497 8.153 4.883 1.00 33.04 O ATOM 1089 CB GLU A 67 0.660 10.985 3.502 1.00 34.10 C ATOM 1090 CG GLU A 67 0.487 12.470 3.113 1.00 3.54 C ATOM 1091 CD GLU A 67 -0.973 12.921 2.925 1.00 74.11 C ATOM 1092 OE1 GLU A 67 -1.576 12.611 1.869 1.00 41.43 O ATOM 1093 OE2 GLU A 67 -1.536 13.570 3.839 1.00 33.41 O ATOM 0 H GLU A 67 1.103 12.039 5.724 1.00 11.55 H new ATOM 0 HA GLU A 67 -1.112 10.620 4.678 1.00 62.12 H new ATOM 0 HB2 GLU A 67 1.726 10.777 3.590 1.00 34.10 H new ATOM 0 HB3 GLU A 67 0.282 10.372 2.684 1.00 34.10 H new ATOM 0 HG2 GLU A 67 0.948 13.089 3.883 1.00 3.54 H new ATOM 0 HG3 GLU A 67 1.032 12.655 2.187 1.00 3.54 H new ATOM 1100 N ALA A 68 1.506 8.821 5.697 1.00 52.54 N ATOM 1101 CA ALA A 68 2.048 7.470 5.965 1.00 21.04 C ATOM 1102 C ALA A 68 1.218 6.666 6.985 1.00 62.52 C ATOM 1103 O ALA A 68 1.250 5.432 6.973 1.00 71.54 O ATOM 1104 CB ALA A 68 3.504 7.597 6.415 1.00 53.13 C ATOM 0 H ALA A 68 2.128 9.573 5.993 1.00 52.54 H new ATOM 0 HA ALA A 68 1.991 6.902 5.037 1.00 21.04 H new ATOM 0 HB1 ALA A 68 3.911 6.606 6.615 1.00 53.13 H new ATOM 0 HB2 ALA A 68 4.087 8.077 5.629 1.00 53.13 H new ATOM 0 HB3 ALA A 68 3.553 8.199 7.322 1.00 53.13 H new ATOM 1110 N GLU A 69 0.483 7.377 7.851 1.00 33.41 N ATOM 1111 CA GLU A 69 -0.404 6.763 8.854 1.00 2.21 C ATOM 1112 C GLU A 69 -1.670 6.166 8.211 1.00 43.34 C ATOM 1113 O GLU A 69 -2.046 5.020 8.488 1.00 12.22 O ATOM 1114 CB GLU A 69 -0.798 7.814 9.922 1.00 1.04 C ATOM 1115 CG GLU A 69 0.334 8.232 10.873 1.00 4.15 C ATOM 1116 CD GLU A 69 0.846 7.064 11.728 1.00 61.21 C ATOM 1117 OE1 GLU A 69 0.270 6.806 12.806 1.00 44.54 O ATOM 1118 OE2 GLU A 69 1.805 6.380 11.316 1.00 21.34 O ATOM 0 H GLU A 69 0.485 8.397 7.877 1.00 33.41 H new ATOM 0 HA GLU A 69 0.143 5.947 9.326 1.00 2.21 H new ATOM 0 HB2 GLU A 69 -1.172 8.703 9.414 1.00 1.04 H new ATOM 0 HB3 GLU A 69 -1.621 7.416 10.515 1.00 1.04 H new ATOM 0 HG2 GLU A 69 1.160 8.642 10.291 1.00 4.15 H new ATOM 0 HG3 GLU A 69 -0.021 9.028 11.527 1.00 4.15 H new ATOM 1125 N LYS A 70 -2.327 6.963 7.358 1.00 3.41 N ATOM 1126 CA LYS A 70 -3.603 6.576 6.725 1.00 71.03 C ATOM 1127 C LYS A 70 -3.368 5.591 5.564 1.00 2.24 C ATOM 1128 O LYS A 70 -4.244 4.788 5.236 1.00 31.21 O ATOM 1129 CB LYS A 70 -4.368 7.845 6.274 1.00 63.22 C ATOM 1130 CG LYS A 70 -3.662 8.712 5.204 1.00 55.33 C ATOM 1131 CD LYS A 70 -4.373 10.075 4.996 1.00 42.44 C ATOM 1132 CE LYS A 70 -3.755 10.894 3.856 1.00 12.53 C ATOM 1133 NZ LYS A 70 -4.239 12.297 3.825 1.00 63.34 N ATOM 0 H LYS A 70 -1.995 7.888 7.086 1.00 3.41 H new ATOM 0 HA LYS A 70 -4.222 6.053 7.454 1.00 71.03 H new ATOM 0 HB2 LYS A 70 -5.340 7.541 5.885 1.00 63.22 H new ATOM 0 HB3 LYS A 70 -4.555 8.465 7.151 1.00 63.22 H new ATOM 0 HG2 LYS A 70 -2.628 8.885 5.502 1.00 55.33 H new ATOM 0 HG3 LYS A 70 -3.635 8.170 4.259 1.00 55.33 H new ATOM 0 HD2 LYS A 70 -5.428 9.902 4.784 1.00 42.44 H new ATOM 0 HD3 LYS A 70 -4.324 10.651 5.920 1.00 42.44 H new ATOM 0 HE2 LYS A 70 -2.670 10.891 3.960 1.00 12.53 H new ATOM 0 HE3 LYS A 70 -3.985 10.414 2.905 1.00 12.53 H new ATOM 0 HZ1 LYS A 70 -4.795 12.453 2.960 1.00 63.34 H new ATOM 0 HZ2 LYS A 70 -4.836 12.477 4.658 1.00 63.34 H new ATOM 0 HZ3 LYS A 70 -3.426 12.945 3.836 1.00 63.34 H new ATOM 1147 N PHE A 71 -2.162 5.642 4.967 1.00 5.33 N ATOM 1148 CA PHE A 71 -1.772 4.727 3.874 1.00 1.44 C ATOM 1149 C PHE A 71 -1.205 3.422 4.429 1.00 54.41 C ATOM 1150 O PHE A 71 -1.144 2.407 3.720 1.00 74.21 O ATOM 1151 CB PHE A 71 -0.776 5.383 2.924 1.00 43.33 C ATOM 1152 CG PHE A 71 -1.271 6.663 2.241 1.00 44.14 C ATOM 1153 CD1 PHE A 71 -2.599 7.088 2.262 1.00 60.32 C ATOM 1154 CD2 PHE A 71 -0.373 7.438 1.588 1.00 64.22 C ATOM 1155 CE1 PHE A 71 -2.979 8.255 1.636 1.00 70.40 C ATOM 1156 CE2 PHE A 71 -0.742 8.605 0.960 1.00 31.43 C ATOM 1157 CZ PHE A 71 -2.041 9.017 0.993 1.00 23.14 C ATOM 0 H PHE A 71 -1.436 6.311 5.224 1.00 5.33 H new ATOM 0 HA PHE A 71 -2.673 4.496 3.306 1.00 1.44 H new ATOM 0 HB2 PHE A 71 0.133 5.615 3.479 1.00 43.33 H new ATOM 0 HB3 PHE A 71 -0.504 4.661 2.154 1.00 43.33 H new ATOM 0 HD1 PHE A 71 -3.340 6.494 2.776 1.00 60.32 H new ATOM 0 HD2 PHE A 71 0.662 7.131 1.559 1.00 64.22 H new ATOM 0 HE1 PHE A 71 -4.013 8.567 1.653 1.00 70.40 H new ATOM 0 HE2 PHE A 71 -0.002 9.195 0.440 1.00 31.43 H new ATOM 0 HZ PHE A 71 -2.329 9.941 0.514 1.00 23.14 H new ATOM 1167 N ALA A 72 -0.776 3.463 5.708 1.00 61.10 N ATOM 1168 CA ALA A 72 -0.527 2.248 6.481 1.00 43.42 C ATOM 1169 C ALA A 72 -1.839 1.456 6.563 1.00 53.15 C ATOM 1170 O ALA A 72 -1.853 0.287 6.273 1.00 12.14 O ATOM 1171 CB ALA A 72 0.029 2.569 7.880 1.00 11.02 C ATOM 0 H ALA A 72 -0.598 4.328 6.219 1.00 61.10 H new ATOM 0 HA ALA A 72 0.235 1.647 5.984 1.00 43.42 H new ATOM 0 HB1 ALA A 72 0.201 1.641 8.425 1.00 11.02 H new ATOM 0 HB2 ALA A 72 0.969 3.112 7.782 1.00 11.02 H new ATOM 0 HB3 ALA A 72 -0.689 3.182 8.425 1.00 11.02 H new ATOM 1177 N ALA A 73 -2.950 2.153 6.873 1.00 5.31 N ATOM 1178 CA ALA A 73 -4.293 1.543 6.933 1.00 22.11 C ATOM 1179 C ALA A 73 -4.744 0.974 5.563 1.00 31.01 C ATOM 1180 O ALA A 73 -5.396 -0.069 5.516 1.00 23.22 O ATOM 1181 CB ALA A 73 -5.319 2.556 7.461 1.00 43.52 C ATOM 0 H ALA A 73 -2.942 3.150 7.088 1.00 5.31 H new ATOM 0 HA ALA A 73 -4.234 0.702 7.624 1.00 22.11 H new ATOM 0 HB1 ALA A 73 -6.304 2.090 7.499 1.00 43.52 H new ATOM 0 HB2 ALA A 73 -5.031 2.878 8.462 1.00 43.52 H new ATOM 0 HB3 ALA A 73 -5.352 3.420 6.798 1.00 43.52 H new ATOM 1187 N ILE A 74 -4.379 1.675 4.463 1.00 2.31 N ATOM 1188 CA ILE A 74 -4.662 1.240 3.071 1.00 53.44 C ATOM 1189 C ILE A 74 -4.040 -0.149 2.787 1.00 53.40 C ATOM 1190 O ILE A 74 -4.724 -1.065 2.305 1.00 42.33 O ATOM 1191 CB ILE A 74 -4.165 2.331 2.026 1.00 44.34 C ATOM 1192 CG1 ILE A 74 -5.037 3.624 2.138 1.00 73.22 C ATOM 1193 CG2 ILE A 74 -4.180 1.798 0.581 1.00 70.43 C ATOM 1194 CD1 ILE A 74 -4.687 4.721 1.145 1.00 1.14 C ATOM 0 H ILE A 74 -3.878 2.562 4.515 1.00 2.31 H new ATOM 0 HA ILE A 74 -5.742 1.143 2.956 1.00 53.44 H new ATOM 0 HB ILE A 74 -3.131 2.572 2.272 1.00 44.34 H new ATOM 0 HG12 ILE A 74 -6.084 3.352 2.002 1.00 73.22 H new ATOM 0 HG13 ILE A 74 -4.940 4.024 3.147 1.00 73.22 H new ATOM 0 HG21 ILE A 74 -3.833 2.577 -0.098 1.00 70.43 H new ATOM 0 HG22 ILE A 74 -3.522 0.932 0.506 1.00 70.43 H new ATOM 0 HG23 ILE A 74 -5.195 1.507 0.311 1.00 70.43 H new ATOM 0 HD11 ILE A 74 -5.345 5.576 1.300 1.00 1.14 H new ATOM 0 HD12 ILE A 74 -3.652 5.028 1.292 1.00 1.14 H new ATOM 0 HD13 ILE A 74 -4.813 4.346 0.129 1.00 1.14 H new ATOM 1206 N LEU A 75 -2.753 -0.292 3.133 1.00 13.01 N ATOM 1207 CA LEU A 75 -1.997 -1.547 2.960 1.00 43.33 C ATOM 1208 C LEU A 75 -2.434 -2.640 3.961 1.00 3.21 C ATOM 1209 O LEU A 75 -2.584 -3.795 3.582 1.00 73.12 O ATOM 1210 CB LEU A 75 -0.478 -1.248 3.068 1.00 12.11 C ATOM 1211 CG LEU A 75 0.072 -0.278 1.978 1.00 32.34 C ATOM 1212 CD1 LEU A 75 1.578 0.006 2.149 1.00 10.03 C ATOM 1213 CD2 LEU A 75 -0.244 -0.816 0.574 1.00 1.30 C ATOM 0 H LEU A 75 -2.202 0.462 3.543 1.00 13.01 H new ATOM 0 HA LEU A 75 -2.215 -1.946 1.969 1.00 43.33 H new ATOM 0 HB2 LEU A 75 -0.274 -0.823 4.051 1.00 12.11 H new ATOM 0 HB3 LEU A 75 0.069 -2.189 3.008 1.00 12.11 H new ATOM 0 HG LEU A 75 -0.436 0.678 2.104 1.00 32.34 H new ATOM 0 HD11 LEU A 75 1.911 0.686 1.365 1.00 10.03 H new ATOM 0 HD12 LEU A 75 1.754 0.461 3.124 1.00 10.03 H new ATOM 0 HD13 LEU A 75 2.135 -0.928 2.079 1.00 10.03 H new ATOM 0 HD21 LEU A 75 0.146 -0.128 -0.176 1.00 1.30 H new ATOM 0 HD22 LEU A 75 0.221 -1.794 0.446 1.00 1.30 H new ATOM 0 HD23 LEU A 75 -1.323 -0.909 0.454 1.00 1.30 H new ATOM 1225 N ILE A 76 -2.678 -2.249 5.220 1.00 40.25 N ATOM 1226 CA ILE A 76 -3.074 -3.177 6.304 1.00 2.51 C ATOM 1227 C ILE A 76 -4.435 -3.823 5.986 1.00 70.30 C ATOM 1228 O ILE A 76 -4.639 -4.985 6.298 1.00 63.01 O ATOM 1229 CB ILE A 76 -3.074 -2.450 7.734 1.00 55.31 C ATOM 1230 CG1 ILE A 76 -1.657 -2.519 8.406 1.00 54.30 C ATOM 1231 CG2 ILE A 76 -4.137 -3.014 8.713 1.00 31.21 C ATOM 1232 CD1 ILE A 76 -0.489 -2.111 7.531 1.00 12.41 C ATOM 0 H ILE A 76 -2.608 -1.277 5.522 1.00 40.25 H new ATOM 0 HA ILE A 76 -2.331 -3.973 6.361 1.00 2.51 H new ATOM 0 HB ILE A 76 -3.336 -1.412 7.532 1.00 55.31 H new ATOM 0 HG12 ILE A 76 -1.664 -1.881 9.290 1.00 54.30 H new ATOM 0 HG13 ILE A 76 -1.489 -3.539 8.750 1.00 54.30 H new ATOM 0 HG21 ILE A 76 -4.081 -2.477 9.660 1.00 31.21 H new ATOM 0 HG22 ILE A 76 -5.131 -2.889 8.283 1.00 31.21 H new ATOM 0 HG23 ILE A 76 -3.947 -4.073 8.885 1.00 31.21 H new ATOM 0 HD11 ILE A 76 0.438 -2.198 8.098 1.00 12.41 H new ATOM 0 HD12 ILE A 76 -0.443 -2.763 6.658 1.00 12.41 H new ATOM 0 HD13 ILE A 76 -0.621 -1.079 7.206 1.00 12.41 H new ATOM 1244 N LYS A 77 -5.333 -3.054 5.333 1.00 61.04 N ATOM 1245 CA LYS A 77 -6.645 -3.556 4.859 1.00 34.32 C ATOM 1246 C LYS A 77 -6.448 -4.714 3.865 1.00 22.24 C ATOM 1247 O LYS A 77 -7.064 -5.765 4.013 1.00 13.54 O ATOM 1248 CB LYS A 77 -7.512 -2.385 4.243 1.00 0.40 C ATOM 1249 CG LYS A 77 -8.716 -1.885 5.101 1.00 33.51 C ATOM 1250 CD LYS A 77 -8.341 -1.134 6.421 1.00 31.03 C ATOM 1251 CE LYS A 77 -7.901 -2.047 7.584 1.00 24.11 C ATOM 1252 NZ LYS A 77 -7.617 -1.275 8.818 1.00 61.42 N ATOM 0 H LYS A 77 -5.171 -2.070 5.119 1.00 61.04 H new ATOM 0 HA LYS A 77 -7.200 -3.945 5.713 1.00 34.32 H new ATOM 0 HB2 LYS A 77 -6.854 -1.537 4.052 1.00 0.40 H new ATOM 0 HB3 LYS A 77 -7.895 -2.715 3.277 1.00 0.40 H new ATOM 0 HG2 LYS A 77 -9.325 -1.221 4.487 1.00 33.51 H new ATOM 0 HG3 LYS A 77 -9.338 -2.743 5.357 1.00 33.51 H new ATOM 0 HD2 LYS A 77 -7.537 -0.431 6.206 1.00 31.03 H new ATOM 0 HD3 LYS A 77 -9.200 -0.546 6.744 1.00 31.03 H new ATOM 0 HE2 LYS A 77 -8.683 -2.779 7.786 1.00 24.11 H new ATOM 0 HE3 LYS A 77 -7.011 -2.604 7.291 1.00 24.11 H new ATOM 0 HZ1 LYS A 77 -7.325 -1.926 9.575 1.00 61.42 H new ATOM 0 HZ2 LYS A 77 -6.853 -0.594 8.633 1.00 61.42 H new ATOM 0 HZ3 LYS A 77 -8.473 -0.764 9.112 1.00 61.42 H new ATOM 1266 N VAL A 78 -5.537 -4.499 2.900 1.00 2.21 N ATOM 1267 CA VAL A 78 -5.170 -5.490 1.875 1.00 3.22 C ATOM 1268 C VAL A 78 -4.683 -6.803 2.517 1.00 21.40 C ATOM 1269 O VAL A 78 -5.325 -7.841 2.357 1.00 30.25 O ATOM 1270 CB VAL A 78 -4.073 -4.889 0.905 1.00 62.13 C ATOM 1271 CG1 VAL A 78 -3.430 -5.954 -0.023 1.00 35.42 C ATOM 1272 CG2 VAL A 78 -4.679 -3.729 0.084 1.00 62.44 C ATOM 0 H VAL A 78 -5.028 -3.620 2.809 1.00 2.21 H new ATOM 0 HA VAL A 78 -6.059 -5.725 1.290 1.00 3.22 H new ATOM 0 HB VAL A 78 -3.263 -4.509 1.528 1.00 62.13 H new ATOM 0 HG11 VAL A 78 -2.687 -5.478 -0.663 1.00 35.42 H new ATOM 0 HG12 VAL A 78 -2.949 -6.722 0.583 1.00 35.42 H new ATOM 0 HG13 VAL A 78 -4.202 -6.411 -0.642 1.00 35.42 H new ATOM 0 HG21 VAL A 78 -3.920 -3.319 -0.582 1.00 62.44 H new ATOM 0 HG22 VAL A 78 -5.517 -4.100 -0.506 1.00 62.44 H new ATOM 0 HG23 VAL A 78 -5.028 -2.949 0.760 1.00 62.44 H new ATOM 1282 N TYR A 79 -3.590 -6.716 3.295 1.00 44.41 N ATOM 1283 CA TYR A 79 -2.923 -7.891 3.884 1.00 24.31 C ATOM 1284 C TYR A 79 -3.795 -8.589 4.958 1.00 54.33 C ATOM 1285 O TYR A 79 -3.699 -9.806 5.128 1.00 4.53 O ATOM 1286 CB TYR A 79 -1.536 -7.501 4.456 1.00 4.24 C ATOM 1287 CG TYR A 79 -0.476 -7.144 3.393 1.00 32.42 C ATOM 1288 CD1 TYR A 79 -0.385 -5.855 2.862 1.00 20.23 C ATOM 1289 CD2 TYR A 79 0.441 -8.094 2.939 1.00 53.32 C ATOM 1290 CE1 TYR A 79 0.572 -5.524 1.926 1.00 63.22 C ATOM 1291 CE2 TYR A 79 1.405 -7.765 2.006 1.00 62.12 C ATOM 1292 CZ TYR A 79 1.467 -6.481 1.504 1.00 71.22 C ATOM 1293 OH TYR A 79 2.435 -6.153 0.581 1.00 61.01 O ATOM 0 H TYR A 79 -3.144 -5.830 3.533 1.00 44.41 H new ATOM 0 HA TYR A 79 -2.777 -8.615 3.082 1.00 24.31 H new ATOM 0 HB2 TYR A 79 -1.661 -6.650 5.125 1.00 4.24 H new ATOM 0 HB3 TYR A 79 -1.161 -8.328 5.059 1.00 4.24 H new ATOM 0 HD1 TYR A 79 -1.082 -5.099 3.193 1.00 20.23 H new ATOM 0 HD2 TYR A 79 0.396 -9.102 3.323 1.00 53.32 H new ATOM 0 HE1 TYR A 79 0.619 -4.522 1.527 1.00 63.22 H new ATOM 0 HE2 TYR A 79 2.109 -8.512 1.670 1.00 62.12 H new ATOM 0 HH TYR A 79 3.275 -6.600 0.815 1.00 61.01 H new ATOM 1303 N ALA A 80 -4.649 -7.820 5.664 1.00 34.31 N ATOM 1304 CA ALA A 80 -5.553 -8.370 6.702 1.00 30.14 C ATOM 1305 C ALA A 80 -6.608 -9.286 6.072 1.00 71.13 C ATOM 1306 O ALA A 80 -6.914 -10.356 6.603 1.00 53.34 O ATOM 1307 CB ALA A 80 -6.233 -7.254 7.507 1.00 75.42 C ATOM 0 H ALA A 80 -4.733 -6.812 5.535 1.00 34.31 H new ATOM 0 HA ALA A 80 -4.942 -8.956 7.389 1.00 30.14 H new ATOM 0 HB1 ALA A 80 -6.888 -7.695 8.258 1.00 75.42 H new ATOM 0 HB2 ALA A 80 -5.474 -6.646 7.999 1.00 75.42 H new ATOM 0 HB3 ALA A 80 -6.821 -6.628 6.836 1.00 75.42 H new ATOM 1313 N GLU A 81 -7.157 -8.828 4.939 1.00 52.34 N ATOM 1314 CA GLU A 81 -8.063 -9.619 4.094 1.00 74.24 C ATOM 1315 C GLU A 81 -7.345 -10.880 3.551 1.00 61.32 C ATOM 1316 O GLU A 81 -7.955 -11.945 3.424 1.00 23.41 O ATOM 1317 CB GLU A 81 -8.549 -8.746 2.917 1.00 10.31 C ATOM 1318 CG GLU A 81 -9.454 -7.539 3.285 1.00 20.20 C ATOM 1319 CD GLU A 81 -10.943 -7.883 3.388 1.00 44.50 C ATOM 1320 OE1 GLU A 81 -11.640 -7.844 2.345 1.00 3.12 O ATOM 1321 OE2 GLU A 81 -11.424 -8.217 4.493 1.00 0.51 O ATOM 0 H GLU A 81 -6.983 -7.889 4.580 1.00 52.34 H new ATOM 0 HA GLU A 81 -8.915 -9.942 4.693 1.00 74.24 H new ATOM 0 HB2 GLU A 81 -7.675 -8.369 2.386 1.00 10.31 H new ATOM 0 HB3 GLU A 81 -9.094 -9.383 2.221 1.00 10.31 H new ATOM 0 HG2 GLU A 81 -9.121 -7.126 4.237 1.00 20.20 H new ATOM 0 HG3 GLU A 81 -9.323 -6.759 2.535 1.00 20.20 H new ATOM 1328 N LEU A 82 -6.040 -10.729 3.222 1.00 35.20 N ATOM 1329 CA LEU A 82 -5.207 -11.826 2.676 1.00 41.23 C ATOM 1330 C LEU A 82 -4.916 -12.916 3.734 1.00 71.22 C ATOM 1331 O LEU A 82 -4.663 -14.069 3.374 1.00 43.12 O ATOM 1332 CB LEU A 82 -3.871 -11.277 2.088 1.00 24.34 C ATOM 1333 CG LEU A 82 -3.993 -10.289 0.887 1.00 3.35 C ATOM 1334 CD1 LEU A 82 -2.609 -9.872 0.341 1.00 34.43 C ATOM 1335 CD2 LEU A 82 -4.881 -10.866 -0.222 1.00 12.14 C ATOM 0 H LEU A 82 -5.537 -9.848 3.327 1.00 35.20 H new ATOM 0 HA LEU A 82 -5.781 -12.287 1.872 1.00 41.23 H new ATOM 0 HB2 LEU A 82 -3.327 -10.776 2.888 1.00 24.34 H new ATOM 0 HB3 LEU A 82 -3.263 -12.125 1.772 1.00 24.34 H new ATOM 0 HG LEU A 82 -4.475 -9.386 1.261 1.00 3.35 H new ATOM 0 HD11 LEU A 82 -2.740 -9.184 -0.494 1.00 34.43 H new ATOM 0 HD12 LEU A 82 -2.039 -9.381 1.130 1.00 34.43 H new ATOM 0 HD13 LEU A 82 -2.070 -10.757 0.001 1.00 34.43 H new ATOM 0 HD21 LEU A 82 -4.946 -10.153 -1.044 1.00 12.14 H new ATOM 0 HD22 LEU A 82 -4.450 -11.800 -0.584 1.00 12.14 H new ATOM 0 HD23 LEU A 82 -5.879 -11.056 0.173 1.00 12.14 H new ATOM 1347 N GLY A 83 -4.951 -12.546 5.028 1.00 3.23 N ATOM 1348 CA GLY A 83 -4.709 -13.505 6.115 1.00 54.31 C ATOM 1349 C GLY A 83 -5.354 -13.079 7.428 1.00 41.33 C ATOM 1350 O GLY A 83 -6.579 -13.137 7.562 1.00 62.12 O ATOM 0 H GLY A 83 -5.144 -11.595 5.342 1.00 3.23 H new ATOM 0 HA2 GLY A 83 -5.096 -14.482 5.825 1.00 54.31 H new ATOM 0 HA3 GLY A 83 -3.635 -13.618 6.262 1.00 54.31 H new ATOM 1401 N ILE A 87 -0.427 -6.990 10.928 1.00 75.43 N ATOM 1402 CA ILE A 87 0.419 -6.790 9.733 1.00 65.53 C ATOM 1403 C ILE A 87 1.730 -6.049 10.103 1.00 61.41 C ATOM 1404 O ILE A 87 1.733 -5.208 11.009 1.00 72.30 O ATOM 1405 CB ILE A 87 -0.379 -5.986 8.629 1.00 11.15 C ATOM 1406 CG1 ILE A 87 -1.829 -6.559 8.419 1.00 12.13 C ATOM 1407 CG2 ILE A 87 0.386 -5.960 7.291 1.00 65.35 C ATOM 1408 CD1 ILE A 87 -1.884 -8.014 7.997 1.00 1.12 C ATOM 0 HA ILE A 87 0.685 -7.768 9.332 1.00 65.53 H new ATOM 0 HB ILE A 87 -0.474 -4.963 8.992 1.00 11.15 H new ATOM 0 HG12 ILE A 87 -2.388 -6.444 9.348 1.00 12.13 H new ATOM 0 HG13 ILE A 87 -2.336 -5.957 7.665 1.00 12.13 H new ATOM 0 HG21 ILE A 87 -0.189 -5.400 6.554 1.00 65.35 H new ATOM 0 HG22 ILE A 87 1.355 -5.482 7.435 1.00 65.35 H new ATOM 0 HG23 ILE A 87 0.534 -6.980 6.937 1.00 65.35 H new ATOM 0 HD11 ILE A 87 -2.924 -8.319 7.877 1.00 1.12 H new ATOM 0 HD12 ILE A 87 -1.358 -8.138 7.051 1.00 1.12 H new ATOM 0 HD13 ILE A 87 -1.410 -8.632 8.760 1.00 1.12 H new ATOM 1420 N ASN A 88 2.834 -6.363 9.387 1.00 40.02 N ATOM 1421 CA ASN A 88 4.170 -5.786 9.659 1.00 73.32 C ATOM 1422 C ASN A 88 4.348 -4.472 8.866 1.00 35.21 C ATOM 1423 O ASN A 88 4.314 -4.475 7.627 1.00 44.52 O ATOM 1424 CB ASN A 88 5.288 -6.796 9.274 1.00 42.11 C ATOM 1425 CG ASN A 88 6.703 -6.300 9.616 1.00 31.13 C ATOM 1426 OD1 ASN A 88 6.902 -5.559 10.577 1.00 13.34 O ATOM 1427 ND2 ASN A 88 7.696 -6.716 8.848 1.00 4.03 N ATOM 0 H ASN A 88 2.824 -7.021 8.608 1.00 40.02 H new ATOM 0 HA ASN A 88 4.247 -5.573 10.725 1.00 73.32 H new ATOM 0 HB2 ASN A 88 5.108 -7.740 9.788 1.00 42.11 H new ATOM 0 HB3 ASN A 88 5.231 -7.000 8.205 1.00 42.11 H new ATOM 0 HD21 ASN A 88 8.652 -6.422 9.047 1.00 4.03 H new ATOM 0 HD22 ASN A 88 7.506 -7.330 8.056 1.00 4.03 H new ATOM 1434 N VAL A 89 4.534 -3.355 9.603 1.00 61.43 N ATOM 1435 CA VAL A 89 4.676 -1.998 9.034 1.00 3.32 C ATOM 1436 C VAL A 89 6.082 -1.458 9.345 1.00 45.41 C ATOM 1437 O VAL A 89 6.551 -1.574 10.483 1.00 3.35 O ATOM 1438 CB VAL A 89 3.604 -1.001 9.634 1.00 3.05 C ATOM 1439 CG1 VAL A 89 3.484 0.280 8.774 1.00 51.30 C ATOM 1440 CG2 VAL A 89 2.234 -1.685 9.810 1.00 31.23 C ATOM 0 H VAL A 89 4.590 -3.371 10.621 1.00 61.43 H new ATOM 0 HA VAL A 89 4.519 -2.069 7.958 1.00 3.32 H new ATOM 0 HB VAL A 89 3.952 -0.704 10.623 1.00 3.05 H new ATOM 0 HG11 VAL A 89 2.740 0.944 9.213 1.00 51.30 H new ATOM 0 HG12 VAL A 89 4.448 0.787 8.740 1.00 51.30 H new ATOM 0 HG13 VAL A 89 3.180 0.012 7.762 1.00 51.30 H new ATOM 0 HG21 VAL A 89 1.522 -0.971 10.224 1.00 31.23 H new ATOM 0 HG22 VAL A 89 1.875 -2.036 8.842 1.00 31.23 H new ATOM 0 HG23 VAL A 89 2.335 -2.532 10.488 1.00 31.23 H new ATOM 1450 N THR A 90 6.746 -0.882 8.336 1.00 34.11 N ATOM 1451 CA THR A 90 8.036 -0.201 8.494 1.00 73.44 C ATOM 1452 C THR A 90 8.050 1.038 7.587 1.00 4.22 C ATOM 1453 O THR A 90 7.792 0.929 6.391 1.00 3.53 O ATOM 1454 CB THR A 90 9.223 -1.155 8.116 1.00 33.44 C ATOM 1455 OG1 THR A 90 9.168 -2.349 8.919 1.00 44.15 O ATOM 1456 CG2 THR A 90 10.598 -0.479 8.302 1.00 4.05 C ATOM 0 H THR A 90 6.399 -0.876 7.377 1.00 34.11 H new ATOM 0 HA THR A 90 8.162 0.093 9.536 1.00 73.44 H new ATOM 0 HB THR A 90 9.113 -1.404 7.061 1.00 33.44 H new ATOM 0 HG1 THR A 90 9.911 -2.941 8.677 1.00 44.15 H new ATOM 0 HG21 THR A 90 11.388 -1.179 8.028 1.00 4.05 H new ATOM 0 HG22 THR A 90 10.658 0.404 7.666 1.00 4.05 H new ATOM 0 HG23 THR A 90 10.720 -0.184 9.344 1.00 4.05 H new ATOM 1464 N TRP A 91 8.308 2.213 8.165 1.00 53.45 N ATOM 1465 CA TRP A 91 8.459 3.460 7.401 1.00 70.23 C ATOM 1466 C TRP A 91 9.947 3.759 7.195 1.00 63.13 C ATOM 1467 O TRP A 91 10.778 3.432 8.055 1.00 21.32 O ATOM 1468 CB TRP A 91 7.787 4.639 8.135 1.00 11.15 C ATOM 1469 CG TRP A 91 6.310 4.454 8.372 1.00 73.50 C ATOM 1470 CD1 TRP A 91 5.299 4.696 7.488 1.00 70.33 C ATOM 1471 CD2 TRP A 91 5.683 3.991 9.576 1.00 72.42 C ATOM 1472 NE1 TRP A 91 4.088 4.415 8.065 1.00 33.34 N ATOM 1473 CE2 TRP A 91 4.298 3.978 9.343 1.00 43.43 C ATOM 1474 CE3 TRP A 91 6.164 3.574 10.823 1.00 11.21 C ATOM 1475 CZ2 TRP A 91 3.388 3.587 10.311 1.00 30.14 C ATOM 1476 CZ3 TRP A 91 5.255 3.182 11.786 1.00 61.43 C ATOM 1477 CH2 TRP A 91 3.882 3.182 11.522 1.00 51.53 C ATOM 0 H TRP A 91 8.418 2.330 9.172 1.00 53.45 H new ATOM 0 HA TRP A 91 7.972 3.335 6.434 1.00 70.23 H new ATOM 0 HB2 TRP A 91 8.283 4.786 9.095 1.00 11.15 H new ATOM 0 HB3 TRP A 91 7.940 5.549 7.555 1.00 11.15 H new ATOM 0 HD1 TRP A 91 5.434 5.057 6.479 1.00 70.33 H new ATOM 0 HE1 TRP A 91 3.179 4.516 7.614 1.00 33.34 H new ATOM 0 HE3 TRP A 91 7.224 3.559 11.028 1.00 11.21 H new ATOM 0 HZ2 TRP A 91 2.326 3.601 10.117 1.00 30.14 H new ATOM 0 HZ3 TRP A 91 5.610 2.871 12.757 1.00 61.43 H new ATOM 0 HH2 TRP A 91 3.196 2.855 12.290 1.00 51.53 H new ATOM 1488 N ASP A 92 10.259 4.388 6.060 1.00 23.22 N ATOM 1489 CA ASP A 92 11.618 4.834 5.715 1.00 52.44 C ATOM 1490 C ASP A 92 11.512 6.044 4.773 1.00 12.03 C ATOM 1491 O ASP A 92 10.990 5.930 3.663 1.00 60.44 O ATOM 1492 CB ASP A 92 12.454 3.674 5.091 1.00 15.55 C ATOM 1493 CG ASP A 92 11.820 3.033 3.838 1.00 60.10 C ATOM 1494 OD1 ASP A 92 10.890 2.208 3.982 1.00 72.02 O ATOM 1495 OD2 ASP A 92 12.243 3.354 2.702 1.00 64.21 O ATOM 0 H ASP A 92 9.568 4.607 5.342 1.00 23.22 H new ATOM 0 HA ASP A 92 12.148 5.135 6.618 1.00 52.44 H new ATOM 0 HB2 ASP A 92 13.441 4.054 4.829 1.00 15.55 H new ATOM 0 HB3 ASP A 92 12.600 2.901 5.845 1.00 15.55 H new ATOM 1500 N GLY A 93 11.951 7.220 5.267 1.00 10.22 N ATOM 1501 CA GLY A 93 11.892 8.475 4.512 1.00 70.43 C ATOM 1502 C GLY A 93 10.476 8.841 4.078 1.00 35.21 C ATOM 1503 O GLY A 93 10.243 9.131 2.897 1.00 72.40 O ATOM 0 H GLY A 93 12.354 7.319 6.199 1.00 10.22 H new ATOM 0 HA2 GLY A 93 12.299 9.280 5.124 1.00 70.43 H new ATOM 0 HA3 GLY A 93 12.527 8.393 3.630 1.00 70.43 H new ATOM 1507 N ASP A 94 9.531 8.731 5.039 1.00 24.41 N ATOM 1508 CA ASP A 94 8.083 9.028 4.854 1.00 32.33 C ATOM 1509 C ASP A 94 7.385 8.066 3.875 1.00 34.55 C ATOM 1510 O ASP A 94 6.222 8.260 3.557 1.00 72.02 O ATOM 1511 CB ASP A 94 7.845 10.520 4.453 1.00 41.13 C ATOM 1512 CG ASP A 94 8.297 11.510 5.541 1.00 72.11 C ATOM 1513 OD1 ASP A 94 9.494 11.893 5.559 1.00 12.21 O ATOM 1514 OD2 ASP A 94 7.472 11.889 6.410 1.00 23.53 O ATOM 0 H ASP A 94 9.753 8.427 5.987 1.00 24.41 H new ATOM 0 HA ASP A 94 7.619 8.863 5.826 1.00 32.33 H new ATOM 0 HB2 ASP A 94 8.382 10.733 3.529 1.00 41.13 H new ATOM 0 HB3 ASP A 94 6.785 10.672 4.248 1.00 41.13 H new ATOM 1519 N THR A 95 8.079 7.005 3.441 1.00 43.43 N ATOM 1520 CA THR A 95 7.510 5.990 2.546 1.00 42.23 C ATOM 1521 C THR A 95 7.029 4.806 3.399 1.00 31.24 C ATOM 1522 O THR A 95 7.805 4.266 4.197 1.00 31.42 O ATOM 1523 CB THR A 95 8.578 5.528 1.499 1.00 63.13 C ATOM 1524 OG1 THR A 95 9.136 6.690 0.853 1.00 71.34 O ATOM 1525 CG2 THR A 95 7.976 4.590 0.433 1.00 43.51 C ATOM 0 H THR A 95 9.049 6.827 3.700 1.00 43.43 H new ATOM 0 HA THR A 95 6.668 6.407 1.994 1.00 42.23 H new ATOM 0 HB THR A 95 9.351 4.972 2.029 1.00 63.13 H new ATOM 0 HG1 THR A 95 9.807 6.409 0.197 1.00 71.34 H new ATOM 0 HG21 THR A 95 8.753 4.295 -0.272 1.00 43.51 H new ATOM 0 HG22 THR A 95 7.569 3.702 0.917 1.00 43.51 H new ATOM 0 HG23 THR A 95 7.180 5.109 -0.101 1.00 43.51 H new ATOM 1533 N VAL A 96 5.753 4.407 3.239 1.00 75.34 N ATOM 1534 CA VAL A 96 5.160 3.329 4.044 1.00 2.41 C ATOM 1535 C VAL A 96 5.362 1.978 3.321 1.00 20.13 C ATOM 1536 O VAL A 96 4.777 1.712 2.264 1.00 62.13 O ATOM 1537 CB VAL A 96 3.637 3.615 4.384 1.00 13.34 C ATOM 1538 CG1 VAL A 96 2.790 3.922 3.132 1.00 3.14 C ATOM 1539 CG2 VAL A 96 3.023 2.460 5.215 1.00 53.44 C ATOM 0 H VAL A 96 5.114 4.817 2.558 1.00 75.34 H new ATOM 0 HA VAL A 96 5.671 3.282 5.005 1.00 2.41 H new ATOM 0 HB VAL A 96 3.619 4.519 4.993 1.00 13.34 H new ATOM 0 HG11 VAL A 96 1.758 4.109 3.428 1.00 3.14 H new ATOM 0 HG12 VAL A 96 3.189 4.803 2.630 1.00 3.14 H new ATOM 0 HG13 VAL A 96 2.824 3.071 2.452 1.00 3.14 H new ATOM 0 HG21 VAL A 96 1.979 2.684 5.433 1.00 53.44 H new ATOM 0 HG22 VAL A 96 3.084 1.531 4.648 1.00 53.44 H new ATOM 0 HG23 VAL A 96 3.574 2.351 6.149 1.00 53.44 H new ATOM 1549 N THR A 97 6.256 1.162 3.901 1.00 14.15 N ATOM 1550 CA THR A 97 6.644 -0.149 3.382 1.00 2.41 C ATOM 1551 C THR A 97 6.038 -1.243 4.271 1.00 54.41 C ATOM 1552 O THR A 97 6.481 -1.467 5.406 1.00 71.15 O ATOM 1553 CB THR A 97 8.199 -0.273 3.341 1.00 3.32 C ATOM 1554 OG1 THR A 97 8.729 0.780 2.524 1.00 31.42 O ATOM 1555 CG2 THR A 97 8.679 -1.629 2.797 1.00 31.31 C ATOM 0 H THR A 97 6.739 1.407 4.766 1.00 14.15 H new ATOM 0 HA THR A 97 6.268 -0.265 2.366 1.00 2.41 H new ATOM 0 HB THR A 97 8.559 -0.195 4.367 1.00 3.32 H new ATOM 0 HG1 THR A 97 9.439 1.247 3.012 1.00 31.42 H new ATOM 0 HG21 THR A 97 9.769 -1.654 2.793 1.00 31.31 H new ATOM 0 HG22 THR A 97 8.300 -2.430 3.431 1.00 31.31 H new ATOM 0 HG23 THR A 97 8.309 -1.765 1.781 1.00 31.31 H new ATOM 1563 N VAL A 98 4.996 -1.891 3.754 1.00 13.04 N ATOM 1564 CA VAL A 98 4.291 -2.978 4.436 1.00 3.13 C ATOM 1565 C VAL A 98 4.556 -4.290 3.684 1.00 71.45 C ATOM 1566 O VAL A 98 4.105 -4.470 2.541 1.00 45.24 O ATOM 1567 CB VAL A 98 2.756 -2.653 4.531 1.00 72.13 C ATOM 1568 CG1 VAL A 98 1.938 -3.848 5.052 1.00 14.43 C ATOM 1569 CG2 VAL A 98 2.525 -1.400 5.416 1.00 21.53 C ATOM 0 H VAL A 98 4.611 -1.673 2.835 1.00 13.04 H new ATOM 0 HA VAL A 98 4.659 -3.086 5.456 1.00 3.13 H new ATOM 0 HB VAL A 98 2.404 -2.444 3.521 1.00 72.13 H new ATOM 0 HG11 VAL A 98 0.884 -3.574 5.100 1.00 14.43 H new ATOM 0 HG12 VAL A 98 2.063 -4.696 4.378 1.00 14.43 H new ATOM 0 HG13 VAL A 98 2.287 -4.122 6.048 1.00 14.43 H new ATOM 0 HG21 VAL A 98 1.458 -1.187 5.473 1.00 21.53 H new ATOM 0 HG22 VAL A 98 2.912 -1.586 6.418 1.00 21.53 H new ATOM 0 HG23 VAL A 98 3.043 -0.546 4.980 1.00 21.53 H new ATOM 1579 N GLU A 99 5.332 -5.185 4.322 1.00 15.14 N ATOM 1580 CA GLU A 99 5.737 -6.473 3.738 1.00 64.04 C ATOM 1581 C GLU A 99 5.139 -7.629 4.557 1.00 0.34 C ATOM 1582 O GLU A 99 5.466 -7.785 5.748 1.00 41.44 O ATOM 1583 CB GLU A 99 7.284 -6.572 3.697 1.00 44.35 C ATOM 1584 CG GLU A 99 7.843 -7.883 3.102 1.00 53.01 C ATOM 1585 CD GLU A 99 9.376 -7.959 3.172 1.00 22.54 C ATOM 1586 OE1 GLU A 99 9.915 -8.365 4.226 1.00 53.55 O ATOM 1587 OE2 GLU A 99 10.049 -7.597 2.187 1.00 31.14 O ATOM 0 H GLU A 99 5.697 -5.032 5.262 1.00 15.14 H new ATOM 0 HA GLU A 99 5.360 -6.541 2.717 1.00 64.04 H new ATOM 0 HB2 GLU A 99 7.671 -5.734 3.116 1.00 44.35 H new ATOM 0 HB3 GLU A 99 7.666 -6.460 4.712 1.00 44.35 H new ATOM 0 HG2 GLU A 99 7.416 -8.731 3.637 1.00 53.01 H new ATOM 0 HG3 GLU A 99 7.526 -7.970 2.063 1.00 53.01 H new