USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 587 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 82 GLN : amide:sc=-0.00975 K(o=-0.0097,f=-0.52!) USER MOD Set 1.2: A 86 GLN : amide:sc= 0 X(o=-0.0097,f=-0.0097) USER MOD Single : A 30 GLN : amide:sc= -0.632 K(o=-0.63,f=-1.3) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.559 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc=-0.00683 K(o=-0.0068,f=-0.96) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -157:sc= -0.139 (180deg=-0.639) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -2.56 K(o=-2.6,f=-0.53) USER MOD Single : A 68 SER OG : rot -65:sc= 0.25 USER MOD Single : A 71 ASN : amide:sc= -0.0806 K(o=-0.081,f=-1.2!) USER MOD Single : A 72 SER OG : rot 120:sc= -0.0961 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc=-0.00195 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.474 USER MOD Single : A 84 SER OG : rot 180:sc= -0.396 USER MOD Single : A 93 GLN : amide:sc= -0.0464 X(o=-0.046,f=-0.26) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.84) USER MOD Single : A 100 ASN : amide:sc= -0.591 K(o=-0.59,f=-1.1) USER MOD Single : A 105 THR OG1 : rot -11:sc= 0.0148 USER MOD ----------------------------------------------------------------- ATOM 114 N GLN A 30 -8.030 4.592 -14.563 1.00 71.15 N ATOM 115 CA GLN A 30 -8.476 5.765 -15.306 1.00 64.01 C ATOM 116 C GLN A 30 -9.850 6.222 -14.828 1.00 3.41 C ATOM 117 O GLN A 30 -10.278 7.340 -15.115 1.00 1.42 O ATOM 118 CB GLN A 30 -8.519 5.460 -16.804 1.00 73.04 C ATOM 119 CG GLN A 30 -7.292 4.719 -17.311 1.00 10.54 C ATOM 120 CD GLN A 30 -7.361 4.423 -18.796 1.00 24.13 C ATOM 121 OE1 GLN A 30 -7.132 5.302 -19.627 1.00 74.12 O ATOM 122 NE2 GLN A 30 -7.676 3.179 -19.137 1.00 51.13 N ATOM 0 HA GLN A 30 -7.763 6.570 -15.127 1.00 64.01 H new ATOM 0 HB2 GLN A 30 -9.407 4.865 -17.020 1.00 73.04 H new ATOM 0 HB3 GLN A 30 -8.621 6.396 -17.354 1.00 73.04 H new ATOM 0 HG2 GLN A 30 -6.402 5.313 -17.104 1.00 10.54 H new ATOM 0 HG3 GLN A 30 -7.185 3.783 -16.762 1.00 10.54 H new ATOM 0 HE21 GLN A 30 -7.858 2.483 -18.414 1.00 51.13 H new ATOM 0 HE22 GLN A 30 -7.736 2.920 -20.122 1.00 51.13 H new ATOM 131 N VAL A 31 -10.537 5.350 -14.097 1.00 52.32 N ATOM 132 CA VAL A 31 -11.863 5.665 -13.578 1.00 60.14 C ATOM 133 C VAL A 31 -11.817 5.930 -12.078 1.00 11.41 C ATOM 134 O VAL A 31 -11.104 5.253 -11.338 1.00 62.30 O ATOM 135 CB VAL A 31 -12.860 4.524 -13.857 1.00 3.04 C ATOM 136 CG1 VAL A 31 -12.887 4.188 -15.340 1.00 25.02 C ATOM 137 CG2 VAL A 31 -12.508 3.297 -13.030 1.00 32.53 C ATOM 0 H VAL A 31 -10.198 4.420 -13.851 1.00 52.32 H new ATOM 0 HA VAL A 31 -12.199 6.565 -14.093 1.00 60.14 H new ATOM 0 HB VAL A 31 -13.857 4.856 -13.567 1.00 3.04 H new ATOM 0 HG11 VAL A 31 -13.597 3.380 -15.517 1.00 25.02 H new ATOM 0 HG12 VAL A 31 -13.190 5.068 -15.907 1.00 25.02 H new ATOM 0 HG13 VAL A 31 -11.893 3.875 -15.660 1.00 25.02 H new ATOM 0 HG21 VAL A 31 -13.222 2.500 -13.239 1.00 32.53 H new ATOM 0 HG22 VAL A 31 -11.504 2.961 -13.287 1.00 32.53 H new ATOM 0 HG23 VAL A 31 -12.546 3.549 -11.970 1.00 32.53 H new ATOM 147 N VAL A 32 -12.584 6.921 -11.634 1.00 42.51 N ATOM 148 CA VAL A 32 -12.632 7.276 -10.221 1.00 15.32 C ATOM 149 C VAL A 32 -14.022 7.036 -9.641 1.00 61.14 C ATOM 150 O VAL A 32 -15.033 7.323 -10.284 1.00 61.31 O ATOM 151 CB VAL A 32 -12.243 8.750 -9.998 1.00 74.04 C ATOM 152 CG1 VAL A 32 -10.927 9.065 -10.691 1.00 44.24 C ATOM 153 CG2 VAL A 32 -13.348 9.672 -10.490 1.00 55.43 C ATOM 0 H VAL A 32 -13.180 7.492 -12.233 1.00 42.51 H new ATOM 0 HA VAL A 32 -11.912 6.637 -9.710 1.00 15.32 H new ATOM 0 HB VAL A 32 -12.112 8.916 -8.929 1.00 74.04 H new ATOM 0 HG11 VAL A 32 -10.668 10.110 -10.523 1.00 44.24 H new ATOM 0 HG12 VAL A 32 -10.141 8.427 -10.287 1.00 44.24 H new ATOM 0 HG13 VAL A 32 -11.027 8.884 -11.761 1.00 44.24 H new ATOM 0 HG21 VAL A 32 -13.057 10.709 -10.325 1.00 55.43 H new ATOM 0 HG22 VAL A 32 -13.513 9.506 -11.555 1.00 55.43 H new ATOM 0 HG23 VAL A 32 -14.267 9.462 -9.944 1.00 55.43 H new ATOM 163 N LEU A 33 -14.066 6.508 -8.423 1.00 5.30 N ATOM 164 CA LEU A 33 -15.332 6.229 -7.755 1.00 0.31 C ATOM 165 C LEU A 33 -15.590 7.233 -6.636 1.00 10.12 C ATOM 166 O LEU A 33 -14.819 7.323 -5.680 1.00 10.41 O ATOM 167 CB LEU A 33 -15.331 4.808 -7.190 1.00 61.32 C ATOM 168 CG LEU A 33 -16.222 4.569 -5.971 1.00 1.35 C ATOM 169 CD1 LEU A 33 -17.660 4.961 -6.275 1.00 65.20 C ATOM 170 CD2 LEU A 33 -16.145 3.115 -5.530 1.00 72.32 C ATOM 0 H LEU A 33 -13.239 6.264 -7.878 1.00 5.30 H new ATOM 0 HA LEU A 33 -16.131 6.320 -8.491 1.00 0.31 H new ATOM 0 HB2 LEU A 33 -15.640 4.124 -7.980 1.00 61.32 H new ATOM 0 HB3 LEU A 33 -14.307 4.545 -6.924 1.00 61.32 H new ATOM 0 HG LEU A 33 -15.862 5.194 -5.154 1.00 1.35 H new ATOM 0 HD11 LEU A 33 -18.279 4.784 -5.396 1.00 65.20 H new ATOM 0 HD12 LEU A 33 -17.701 6.017 -6.541 1.00 65.20 H new ATOM 0 HD13 LEU A 33 -18.032 4.363 -7.107 1.00 65.20 H new ATOM 0 HD21 LEU A 33 -16.786 2.964 -4.661 1.00 72.32 H new ATOM 0 HD22 LEU A 33 -16.478 2.470 -6.343 1.00 72.32 H new ATOM 0 HD23 LEU A 33 -15.116 2.868 -5.269 1.00 72.32 H new ATOM 182 N ILE A 34 -16.680 7.983 -6.761 1.00 5.34 N ATOM 183 CA ILE A 34 -17.041 8.978 -5.758 1.00 24.20 C ATOM 184 C ILE A 34 -18.228 8.511 -4.923 1.00 74.14 C ATOM 185 O ILE A 34 -19.109 7.805 -5.416 1.00 53.22 O ATOM 186 CB ILE A 34 -17.384 10.332 -6.406 1.00 62.03 C ATOM 187 CG1 ILE A 34 -18.559 10.176 -7.373 1.00 72.14 C ATOM 188 CG2 ILE A 34 -16.169 10.897 -7.127 1.00 71.03 C ATOM 189 CD1 ILE A 34 -18.142 10.109 -8.826 1.00 21.22 C ATOM 0 H ILE A 34 -17.328 7.921 -7.546 1.00 5.34 H new ATOM 0 HA ILE A 34 -16.172 9.104 -5.112 1.00 24.20 H new ATOM 0 HB ILE A 34 -17.674 11.031 -5.621 1.00 62.03 H new ATOM 0 HG12 ILE A 34 -19.110 9.270 -7.119 1.00 72.14 H new ATOM 0 HG13 ILE A 34 -19.244 11.013 -7.238 1.00 72.14 H new ATOM 0 HG21 ILE A 34 -16.427 11.854 -7.580 1.00 71.03 H new ATOM 0 HG22 ILE A 34 -15.357 11.040 -6.414 1.00 71.03 H new ATOM 0 HG23 ILE A 34 -15.851 10.202 -7.904 1.00 71.03 H new ATOM 0 HD11 ILE A 34 -19.026 9.998 -9.454 1.00 21.22 H new ATOM 0 HD12 ILE A 34 -17.617 11.025 -9.097 1.00 21.22 H new ATOM 0 HD13 ILE A 34 -17.482 9.255 -8.976 1.00 21.22 H new ATOM 201 N THR A 35 -18.248 8.911 -3.656 1.00 22.13 N ATOM 202 CA THR A 35 -19.327 8.535 -2.752 1.00 34.51 C ATOM 203 C THR A 35 -19.627 9.651 -1.758 1.00 61.02 C ATOM 204 O THR A 35 -19.065 10.741 -1.847 1.00 45.45 O ATOM 205 CB THR A 35 -18.987 7.249 -1.975 1.00 31.31 C ATOM 206 OG1 THR A 35 -17.945 7.510 -1.029 1.00 25.53 O ATOM 207 CG2 THR A 35 -18.553 6.142 -2.924 1.00 5.01 C ATOM 0 H THR A 35 -17.528 9.496 -3.232 1.00 22.13 H new ATOM 0 HA THR A 35 -20.207 8.356 -3.369 1.00 34.51 H new ATOM 0 HB THR A 35 -19.883 6.922 -1.447 1.00 31.31 H new ATOM 0 HG1 THR A 35 -17.736 6.688 -0.538 1.00 25.53 H new ATOM 0 HG21 THR A 35 -18.318 5.244 -2.352 1.00 5.01 H new ATOM 0 HG22 THR A 35 -19.360 5.926 -3.624 1.00 5.01 H new ATOM 0 HG23 THR A 35 -17.669 6.462 -3.476 1.00 5.01 H new ATOM 215 N ASN A 36 -20.516 9.371 -0.811 1.00 31.12 N ATOM 216 CA ASN A 36 -20.890 10.353 0.201 1.00 71.33 C ATOM 217 C ASN A 36 -21.597 11.546 -0.435 1.00 1.13 C ATOM 218 O ASN A 36 -21.592 12.648 0.115 1.00 44.01 O ATOM 219 CB ASN A 36 -19.652 10.826 0.964 1.00 4.41 C ATOM 220 CG ASN A 36 -19.792 10.646 2.463 1.00 35.13 C ATOM 221 OD1 ASN A 36 -19.095 9.833 3.070 1.00 4.31 O ATOM 222 ND2 ASN A 36 -20.699 11.405 3.068 1.00 41.02 N ATOM 0 H ASN A 36 -20.991 8.473 -0.723 1.00 31.12 H new ATOM 0 HA ASN A 36 -21.578 9.876 0.899 1.00 71.33 H new ATOM 0 HB2 ASN A 36 -18.780 10.273 0.614 1.00 4.41 H new ATOM 0 HB3 ASN A 36 -19.472 11.878 0.743 1.00 4.41 H new ATOM 0 HD21 ASN A 36 -20.840 11.327 4.075 1.00 41.02 H new ATOM 0 HD22 ASN A 36 -21.255 12.066 2.525 1.00 41.02 H new ATOM 229 N ILE A 37 -22.204 11.318 -1.594 1.00 52.34 N ATOM 230 CA ILE A 37 -22.917 12.374 -2.303 1.00 64.03 C ATOM 231 C ILE A 37 -24.401 12.365 -1.955 1.00 11.33 C ATOM 232 O ILE A 37 -25.025 11.308 -1.881 1.00 34.21 O ATOM 233 CB ILE A 37 -22.758 12.234 -3.829 1.00 32.32 C ATOM 234 CG1 ILE A 37 -23.158 10.826 -4.278 1.00 4.53 C ATOM 235 CG2 ILE A 37 -21.327 12.542 -4.243 1.00 71.53 C ATOM 236 CD1 ILE A 37 -23.230 10.669 -5.780 1.00 41.44 C ATOM 0 H ILE A 37 -22.217 10.412 -2.062 1.00 52.34 H new ATOM 0 HA ILE A 37 -22.478 13.320 -1.985 1.00 64.03 H new ATOM 0 HB ILE A 37 -23.418 12.952 -4.316 1.00 32.32 H new ATOM 0 HG12 ILE A 37 -22.440 10.109 -3.880 1.00 4.53 H new ATOM 0 HG13 ILE A 37 -24.128 10.578 -3.848 1.00 4.53 H new ATOM 0 HG21 ILE A 37 -21.231 12.439 -5.324 1.00 71.53 H new ATOM 0 HG22 ILE A 37 -21.076 13.562 -3.952 1.00 71.53 H new ATOM 0 HG23 ILE A 37 -20.648 11.846 -3.750 1.00 71.53 H new ATOM 0 HD11 ILE A 37 -23.519 9.647 -6.026 1.00 41.44 H new ATOM 0 HD12 ILE A 37 -23.969 11.362 -6.183 1.00 41.44 H new ATOM 0 HD13 ILE A 37 -22.254 10.885 -6.216 1.00 41.44 H new ATOM 248 N ASN A 38 -24.961 13.552 -1.743 1.00 44.10 N ATOM 249 CA ASN A 38 -26.373 13.682 -1.403 1.00 70.44 C ATOM 250 C ASN A 38 -27.250 13.464 -2.633 1.00 12.43 C ATOM 251 O ASN A 38 -27.129 14.158 -3.643 1.00 31.22 O ATOM 252 CB ASN A 38 -26.650 15.061 -0.803 1.00 11.24 C ATOM 253 CG ASN A 38 -27.193 14.978 0.611 1.00 23.20 C ATOM 254 OD1 ASN A 38 -28.233 14.366 0.853 1.00 14.43 O ATOM 255 ND2 ASN A 38 -26.488 15.594 1.552 1.00 2.55 N ATOM 0 H ASN A 38 -24.458 14.438 -1.801 1.00 44.10 H new ATOM 0 HA ASN A 38 -26.616 12.918 -0.665 1.00 70.44 H new ATOM 0 HB2 ASN A 38 -25.730 15.645 -0.802 1.00 11.24 H new ATOM 0 HB3 ASN A 38 -27.364 15.592 -1.433 1.00 11.24 H new ATOM 0 HD21 ASN A 38 -26.803 15.572 2.522 1.00 2.55 H new ATOM 0 HD22 ASN A 38 -25.631 16.089 1.305 1.00 2.55 H new ATOM 262 N PRO A 39 -28.156 12.479 -2.547 1.00 20.05 N ATOM 263 CA PRO A 39 -29.072 12.148 -3.642 1.00 33.01 C ATOM 264 C PRO A 39 -30.125 13.229 -3.864 1.00 22.22 C ATOM 265 O PRO A 39 -30.896 13.169 -4.821 1.00 2.11 O ATOM 266 CB PRO A 39 -29.731 10.848 -3.173 1.00 11.42 C ATOM 267 CG PRO A 39 -29.638 10.891 -1.687 1.00 5.24 C ATOM 268 CD PRO A 39 -28.356 11.612 -1.373 1.00 2.20 C ATOM 0 HA PRO A 39 -28.551 12.058 -4.595 1.00 33.01 H new ATOM 0 HB2 PRO A 39 -30.768 10.788 -3.503 1.00 11.42 H new ATOM 0 HB3 PRO A 39 -29.217 9.976 -3.577 1.00 11.42 H new ATOM 0 HG2 PRO A 39 -30.494 11.412 -1.257 1.00 5.24 H new ATOM 0 HG3 PRO A 39 -29.633 9.885 -1.267 1.00 5.24 H new ATOM 0 HD2 PRO A 39 -28.436 12.192 -0.454 1.00 2.20 H new ATOM 0 HD3 PRO A 39 -27.526 10.918 -1.240 1.00 2.20 H new ATOM 276 N GLU A 40 -30.150 14.216 -2.973 1.00 70.34 N ATOM 277 CA GLU A 40 -31.109 15.309 -3.073 1.00 51.55 C ATOM 278 C GLU A 40 -31.084 15.929 -4.468 1.00 2.54 C ATOM 279 O GLU A 40 -32.090 16.454 -4.944 1.00 74.15 O ATOM 280 CB GLU A 40 -30.808 16.379 -2.022 1.00 4.40 C ATOM 281 CG GLU A 40 -31.552 16.173 -0.713 1.00 44.43 C ATOM 282 CD GLU A 40 -31.811 17.474 0.021 1.00 13.42 C ATOM 283 OE1 GLU A 40 -32.385 18.399 -0.592 1.00 65.54 O ATOM 284 OE2 GLU A 40 -31.441 17.568 1.210 1.00 31.43 O ATOM 0 H GLU A 40 -29.518 14.280 -2.175 1.00 70.34 H new ATOM 0 HA GLU A 40 -32.104 14.903 -2.892 1.00 51.55 H new ATOM 0 HB2 GLU A 40 -29.736 16.390 -1.823 1.00 4.40 H new ATOM 0 HB3 GLU A 40 -31.067 17.357 -2.427 1.00 4.40 H new ATOM 0 HG2 GLU A 40 -32.502 15.678 -0.913 1.00 44.43 H new ATOM 0 HG3 GLU A 40 -30.974 15.507 -0.072 1.00 44.43 H new ATOM 291 N VAL A 41 -29.925 15.866 -5.116 1.00 72.22 N ATOM 292 CA VAL A 41 -29.767 16.420 -6.456 1.00 35.14 C ATOM 293 C VAL A 41 -30.012 15.358 -7.522 1.00 13.21 C ATOM 294 O VAL A 41 -29.515 14.235 -7.441 1.00 5.02 O ATOM 295 CB VAL A 41 -28.361 17.017 -6.654 1.00 74.41 C ATOM 296 CG1 VAL A 41 -27.293 15.968 -6.382 1.00 52.44 C ATOM 297 CG2 VAL A 41 -28.218 17.585 -8.058 1.00 24.21 C ATOM 0 H VAL A 41 -29.082 15.437 -4.735 1.00 72.22 H new ATOM 0 HA VAL A 41 -30.508 17.213 -6.561 1.00 35.14 H new ATOM 0 HB VAL A 41 -28.226 17.831 -5.942 1.00 74.41 H new ATOM 0 HG11 VAL A 41 -26.306 16.408 -6.527 1.00 52.44 H new ATOM 0 HG12 VAL A 41 -27.385 15.613 -5.356 1.00 52.44 H new ATOM 0 HG13 VAL A 41 -27.422 15.131 -7.069 1.00 52.44 H new ATOM 0 HG21 VAL A 41 -27.219 18.003 -8.181 1.00 24.21 H new ATOM 0 HG22 VAL A 41 -28.372 16.791 -8.789 1.00 24.21 H new ATOM 0 HG23 VAL A 41 -28.960 18.368 -8.211 1.00 24.21 H new ATOM 307 N PRO A 42 -30.797 15.720 -8.548 1.00 34.35 N ATOM 308 CA PRO A 42 -31.126 14.813 -9.651 1.00 63.52 C ATOM 309 C PRO A 42 -29.923 14.528 -10.545 1.00 32.54 C ATOM 310 O PRO A 42 -29.145 15.427 -10.862 1.00 2.25 O ATOM 311 CB PRO A 42 -32.201 15.575 -10.429 1.00 51.02 C ATOM 312 CG PRO A 42 -31.948 17.010 -10.118 1.00 62.24 C ATOM 313 CD PRO A 42 -31.425 17.042 -8.709 1.00 3.10 C ATOM 0 HA PRO A 42 -31.452 13.837 -9.292 1.00 63.52 H new ATOM 0 HB2 PRO A 42 -32.126 15.383 -11.499 1.00 51.02 H new ATOM 0 HB3 PRO A 42 -33.202 15.273 -10.120 1.00 51.02 H new ATOM 0 HG2 PRO A 42 -31.225 17.438 -10.812 1.00 62.24 H new ATOM 0 HG3 PRO A 42 -32.863 17.596 -10.208 1.00 62.24 H new ATOM 0 HD2 PRO A 42 -30.706 17.849 -8.566 1.00 3.10 H new ATOM 0 HD3 PRO A 42 -32.226 17.197 -7.986 1.00 3.10 H new ATOM 321 N LYS A 43 -29.777 13.270 -10.949 1.00 1.25 N ATOM 322 CA LYS A 43 -28.670 12.866 -11.807 1.00 72.13 C ATOM 323 C LYS A 43 -28.509 13.831 -12.978 1.00 32.51 C ATOM 324 O LYS A 43 -27.395 14.086 -13.434 1.00 13.22 O ATOM 325 CB LYS A 43 -28.896 11.446 -12.331 1.00 32.45 C ATOM 326 CG LYS A 43 -27.983 11.070 -13.485 1.00 55.31 C ATOM 327 CD LYS A 43 -28.720 11.108 -14.813 1.00 53.25 C ATOM 328 CE LYS A 43 -27.975 10.329 -15.887 1.00 12.54 C ATOM 329 NZ LYS A 43 -28.905 9.562 -16.761 1.00 44.12 N ATOM 0 H LYS A 43 -30.412 12.513 -10.696 1.00 1.25 H new ATOM 0 HA LYS A 43 -27.756 12.887 -11.213 1.00 72.13 H new ATOM 0 HB2 LYS A 43 -28.746 10.739 -11.515 1.00 32.45 H new ATOM 0 HB3 LYS A 43 -29.933 11.347 -12.652 1.00 32.45 H new ATOM 0 HG2 LYS A 43 -27.136 11.755 -13.518 1.00 55.31 H new ATOM 0 HG3 LYS A 43 -27.579 10.071 -13.320 1.00 55.31 H new ATOM 0 HD2 LYS A 43 -29.720 10.692 -14.688 1.00 53.25 H new ATOM 0 HD3 LYS A 43 -28.843 12.143 -15.132 1.00 53.25 H new ATOM 0 HE2 LYS A 43 -27.390 11.018 -16.496 1.00 12.54 H new ATOM 0 HE3 LYS A 43 -27.271 9.643 -15.416 1.00 12.54 H new ATOM 0 HZ1 LYS A 43 -28.359 9.045 -17.480 1.00 44.12 H new ATOM 0 HZ2 LYS A 43 -29.446 8.886 -16.184 1.00 44.12 H new ATOM 0 HZ3 LYS A 43 -29.561 10.218 -17.231 1.00 44.12 H new ATOM 343 N GLU A 44 -29.628 14.363 -13.458 1.00 55.40 N ATOM 344 CA GLU A 44 -29.610 15.301 -14.575 1.00 64.51 C ATOM 345 C GLU A 44 -28.611 16.427 -14.324 1.00 21.43 C ATOM 346 O GLU A 44 -27.716 16.671 -15.133 1.00 52.15 O ATOM 347 CB GLU A 44 -31.006 15.884 -14.804 1.00 65.31 C ATOM 348 CG GLU A 44 -31.441 15.866 -16.260 1.00 11.54 C ATOM 349 CD GLU A 44 -32.794 16.518 -16.472 1.00 3.54 C ATOM 350 OE1 GLU A 44 -33.168 17.388 -15.657 1.00 72.50 O ATOM 351 OE2 GLU A 44 -33.477 16.159 -17.453 1.00 54.10 O ATOM 0 H GLU A 44 -30.558 14.161 -13.092 1.00 55.40 H new ATOM 0 HA GLU A 44 -29.301 14.757 -15.468 1.00 64.51 H new ATOM 0 HB2 GLU A 44 -31.727 15.322 -14.211 1.00 65.31 H new ATOM 0 HB3 GLU A 44 -31.026 16.911 -14.440 1.00 65.31 H new ATOM 0 HG2 GLU A 44 -30.695 16.381 -16.865 1.00 11.54 H new ATOM 0 HG3 GLU A 44 -31.480 14.835 -16.611 1.00 11.54 H new ATOM 358 N LYS A 45 -28.771 17.110 -13.196 1.00 3.23 N ATOM 359 CA LYS A 45 -27.884 18.210 -12.835 1.00 13.30 C ATOM 360 C LYS A 45 -26.620 17.691 -12.159 1.00 23.23 C ATOM 361 O LYS A 45 -25.515 18.153 -12.447 1.00 23.31 O ATOM 362 CB LYS A 45 -28.606 19.191 -11.907 1.00 63.52 C ATOM 363 CG LYS A 45 -27.747 20.369 -11.481 1.00 71.30 C ATOM 364 CD LYS A 45 -27.442 20.327 -9.993 1.00 65.22 C ATOM 365 CE LYS A 45 -28.621 20.817 -9.168 1.00 13.11 C ATOM 366 NZ LYS A 45 -28.956 22.237 -9.468 1.00 74.31 N ATOM 0 H LYS A 45 -29.507 16.921 -12.515 1.00 3.23 H new ATOM 0 HA LYS A 45 -27.598 18.728 -13.750 1.00 13.30 H new ATOM 0 HB2 LYS A 45 -29.497 19.565 -12.410 1.00 63.52 H new ATOM 0 HB3 LYS A 45 -28.942 18.657 -11.018 1.00 63.52 H new ATOM 0 HG2 LYS A 45 -26.814 20.363 -12.045 1.00 71.30 H new ATOM 0 HG3 LYS A 45 -28.259 21.300 -11.722 1.00 71.30 H new ATOM 0 HD2 LYS A 45 -27.191 19.307 -9.701 1.00 65.22 H new ATOM 0 HD3 LYS A 45 -26.568 20.943 -9.782 1.00 65.22 H new ATOM 0 HE2 LYS A 45 -29.489 20.189 -9.367 1.00 13.11 H new ATOM 0 HE3 LYS A 45 -28.390 20.715 -8.108 1.00 13.11 H new ATOM 0 HZ1 LYS A 45 -29.466 22.651 -8.662 1.00 74.31 H new ATOM 0 HZ2 LYS A 45 -28.080 22.772 -9.635 1.00 74.31 H new ATOM 0 HZ3 LYS A 45 -29.556 22.280 -10.317 1.00 74.31 H new ATOM 380 N LEU A 46 -26.788 16.727 -11.260 1.00 13.53 N ATOM 381 CA LEU A 46 -25.660 16.144 -10.543 1.00 64.52 C ATOM 382 C LEU A 46 -24.583 15.671 -11.515 1.00 73.12 C ATOM 383 O LEU A 46 -23.402 15.968 -11.340 1.00 11.51 O ATOM 384 CB LEU A 46 -26.130 14.974 -9.677 1.00 71.31 C ATOM 385 CG LEU A 46 -25.256 13.719 -9.711 1.00 54.25 C ATOM 386 CD1 LEU A 46 -23.887 14.006 -9.116 1.00 43.23 C ATOM 387 CD2 LEU A 46 -25.934 12.577 -8.969 1.00 30.12 C ATOM 0 H LEU A 46 -27.695 16.333 -11.011 1.00 13.53 H new ATOM 0 HA LEU A 46 -25.232 16.914 -9.901 1.00 64.52 H new ATOM 0 HB2 LEU A 46 -26.198 15.317 -8.645 1.00 71.31 H new ATOM 0 HB3 LEU A 46 -27.138 14.699 -9.989 1.00 71.31 H new ATOM 0 HG LEU A 46 -25.122 13.421 -10.751 1.00 54.25 H new ATOM 0 HD11 LEU A 46 -23.279 13.102 -9.149 1.00 43.23 H new ATOM 0 HD12 LEU A 46 -23.398 14.793 -9.691 1.00 43.23 H new ATOM 0 HD13 LEU A 46 -24.001 14.330 -8.081 1.00 43.23 H new ATOM 0 HD21 LEU A 46 -25.298 11.692 -9.003 1.00 30.12 H new ATOM 0 HD22 LEU A 46 -26.099 12.865 -7.931 1.00 30.12 H new ATOM 0 HD23 LEU A 46 -26.891 12.354 -9.440 1.00 30.12 H new ATOM 399 N GLN A 47 -25.001 14.935 -12.540 1.00 42.13 N ATOM 400 CA GLN A 47 -24.072 14.423 -13.541 1.00 30.02 C ATOM 401 C GLN A 47 -23.406 15.565 -14.301 1.00 11.43 C ATOM 402 O GLN A 47 -22.185 15.596 -14.450 1.00 30.02 O ATOM 403 CB GLN A 47 -24.801 13.500 -14.519 1.00 50.53 C ATOM 404 CG GLN A 47 -23.900 12.929 -15.602 1.00 75.15 C ATOM 405 CD GLN A 47 -24.519 13.020 -16.984 1.00 3.23 C ATOM 406 OE1 GLN A 47 -24.608 14.101 -17.566 1.00 52.41 O ATOM 407 NE2 GLN A 47 -24.949 11.883 -17.516 1.00 73.42 N ATOM 0 H GLN A 47 -25.976 14.680 -12.699 1.00 42.13 H new ATOM 0 HA GLN A 47 -23.298 13.855 -13.025 1.00 30.02 H new ATOM 0 HB2 GLN A 47 -25.252 12.678 -13.963 1.00 50.53 H new ATOM 0 HB3 GLN A 47 -25.615 14.052 -14.989 1.00 50.53 H new ATOM 0 HG2 GLN A 47 -22.950 13.463 -15.598 1.00 75.15 H new ATOM 0 HG3 GLN A 47 -23.681 11.886 -15.374 1.00 75.15 H new ATOM 0 HE21 GLN A 47 -24.855 11.010 -16.998 1.00 73.42 H new ATOM 0 HE22 GLN A 47 -25.374 11.882 -18.443 1.00 73.42 H new ATOM 416 N ALA A 48 -24.217 16.503 -14.780 1.00 13.04 N ATOM 417 CA ALA A 48 -23.706 17.648 -15.523 1.00 14.34 C ATOM 418 C ALA A 48 -22.684 18.425 -14.700 1.00 21.31 C ATOM 419 O ALA A 48 -21.742 19.002 -15.245 1.00 60.52 O ATOM 420 CB ALA A 48 -24.851 18.559 -15.941 1.00 51.02 C ATOM 0 H ALA A 48 -25.231 16.492 -14.667 1.00 13.04 H new ATOM 0 HA ALA A 48 -23.206 17.276 -16.417 1.00 14.34 H new ATOM 0 HB1 ALA A 48 -24.455 19.410 -16.495 1.00 51.02 H new ATOM 0 HB2 ALA A 48 -25.544 18.005 -16.574 1.00 51.02 H new ATOM 0 HB3 ALA A 48 -25.375 18.915 -15.054 1.00 51.02 H new ATOM 426 N LEU A 49 -22.875 18.436 -13.385 1.00 51.24 N ATOM 427 CA LEU A 49 -21.969 19.143 -12.487 1.00 12.14 C ATOM 428 C LEU A 49 -20.635 18.413 -12.374 1.00 45.21 C ATOM 429 O LEU A 49 -19.570 19.020 -12.499 1.00 11.42 O ATOM 430 CB LEU A 49 -22.603 19.287 -11.102 1.00 2.42 C ATOM 431 CG LEU A 49 -22.851 20.718 -10.623 1.00 43.30 C ATOM 432 CD1 LEU A 49 -21.580 21.546 -10.735 1.00 10.33 C ATOM 433 CD2 LEU A 49 -23.979 21.359 -11.419 1.00 23.04 C ATOM 0 H LEU A 49 -23.649 17.964 -12.918 1.00 51.24 H new ATOM 0 HA LEU A 49 -21.786 20.134 -12.902 1.00 12.14 H new ATOM 0 HB2 LEU A 49 -23.555 18.755 -11.103 1.00 2.42 H new ATOM 0 HB3 LEU A 49 -21.960 18.789 -10.376 1.00 2.42 H new ATOM 0 HG LEU A 49 -23.147 20.684 -9.574 1.00 43.30 H new ATOM 0 HD11 LEU A 49 -21.776 22.561 -10.390 1.00 10.33 H new ATOM 0 HD12 LEU A 49 -20.799 21.098 -10.121 1.00 10.33 H new ATOM 0 HD13 LEU A 49 -21.254 21.573 -11.775 1.00 10.33 H new ATOM 0 HD21 LEU A 49 -24.142 22.377 -11.065 1.00 23.04 H new ATOM 0 HD22 LEU A 49 -23.712 21.381 -12.476 1.00 23.04 H new ATOM 0 HD23 LEU A 49 -24.892 20.779 -11.288 1.00 23.04 H new ATOM 445 N LEU A 50 -20.698 17.107 -12.140 1.00 14.22 N ATOM 446 CA LEU A 50 -19.495 16.293 -12.013 1.00 23.11 C ATOM 447 C LEU A 50 -18.599 16.451 -13.237 1.00 5.20 C ATOM 448 O LEU A 50 -17.378 16.318 -13.147 1.00 2.23 O ATOM 449 CB LEU A 50 -19.868 14.821 -11.827 1.00 10.10 C ATOM 450 CG LEU A 50 -20.546 14.463 -10.504 1.00 60.41 C ATOM 451 CD1 LEU A 50 -20.941 12.994 -10.488 1.00 12.14 C ATOM 452 CD2 LEU A 50 -19.631 14.784 -9.332 1.00 23.34 C ATOM 0 H LEU A 50 -21.570 16.589 -12.034 1.00 14.22 H new ATOM 0 HA LEU A 50 -18.946 16.636 -11.136 1.00 23.11 H new ATOM 0 HB2 LEU A 50 -20.530 14.529 -12.642 1.00 10.10 H new ATOM 0 HB3 LEU A 50 -18.962 14.222 -11.922 1.00 10.10 H new ATOM 0 HG LEU A 50 -21.451 15.063 -10.407 1.00 60.41 H new ATOM 0 HD11 LEU A 50 -21.422 12.757 -9.539 1.00 12.14 H new ATOM 0 HD12 LEU A 50 -21.634 12.795 -11.306 1.00 12.14 H new ATOM 0 HD13 LEU A 50 -20.051 12.377 -10.608 1.00 12.14 H new ATOM 0 HD21 LEU A 50 -20.130 14.523 -8.399 1.00 23.34 H new ATOM 0 HD22 LEU A 50 -18.708 14.211 -9.423 1.00 23.34 H new ATOM 0 HD23 LEU A 50 -19.398 15.849 -9.333 1.00 23.34 H new ATOM 464 N TYR A 51 -19.212 16.738 -14.380 1.00 31.14 N ATOM 465 CA TYR A 51 -18.470 16.915 -15.622 1.00 71.43 C ATOM 466 C TYR A 51 -17.716 18.241 -15.623 1.00 31.12 C ATOM 467 O TYR A 51 -16.530 18.293 -15.945 1.00 25.03 O ATOM 468 CB TYR A 51 -19.419 16.854 -16.820 1.00 50.14 C ATOM 469 CG TYR A 51 -18.713 16.659 -18.143 1.00 43.40 C ATOM 470 CD1 TYR A 51 -17.874 17.641 -18.657 1.00 33.13 C ATOM 471 CD2 TYR A 51 -18.883 15.493 -18.879 1.00 30.24 C ATOM 472 CE1 TYR A 51 -17.228 17.467 -19.865 1.00 43.40 C ATOM 473 CE2 TYR A 51 -18.239 15.310 -20.087 1.00 72.02 C ATOM 474 CZ TYR A 51 -17.413 16.300 -20.576 1.00 51.24 C ATOM 475 OH TYR A 51 -16.770 16.123 -21.780 1.00 23.13 O ATOM 0 H TYR A 51 -20.221 16.853 -14.472 1.00 31.14 H new ATOM 0 HA TYR A 51 -17.744 16.106 -15.700 1.00 71.43 H new ATOM 0 HB2 TYR A 51 -20.126 16.038 -16.671 1.00 50.14 H new ATOM 0 HB3 TYR A 51 -20.000 17.776 -16.860 1.00 50.14 H new ATOM 0 HD1 TYR A 51 -17.725 18.555 -18.102 1.00 33.13 H new ATOM 0 HD2 TYR A 51 -19.530 14.716 -18.500 1.00 30.24 H new ATOM 0 HE1 TYR A 51 -16.581 18.241 -20.251 1.00 43.40 H new ATOM 0 HE2 TYR A 51 -18.382 14.397 -20.645 1.00 72.02 H new ATOM 0 HH TYR A 51 -17.006 15.248 -22.152 1.00 23.13 H new ATOM 485 N ALA A 52 -18.415 19.311 -15.259 1.00 2.22 N ATOM 486 CA ALA A 52 -17.812 20.638 -15.214 1.00 74.22 C ATOM 487 C ALA A 52 -16.514 20.625 -14.414 1.00 34.41 C ATOM 488 O ALA A 52 -15.469 21.057 -14.900 1.00 43.32 O ATOM 489 CB ALA A 52 -18.790 21.642 -14.621 1.00 60.34 C ATOM 0 H ALA A 52 -19.399 19.285 -14.991 1.00 2.22 H new ATOM 0 HA ALA A 52 -17.575 20.937 -16.235 1.00 74.22 H new ATOM 0 HB1 ALA A 52 -18.327 22.628 -14.593 1.00 60.34 H new ATOM 0 HB2 ALA A 52 -19.689 21.681 -15.236 1.00 60.34 H new ATOM 0 HB3 ALA A 52 -19.055 21.337 -13.609 1.00 60.34 H new ATOM 495 N LEU A 53 -16.588 20.126 -13.185 1.00 1.44 N ATOM 496 CA LEU A 53 -15.418 20.057 -12.316 1.00 11.53 C ATOM 497 C LEU A 53 -14.354 19.139 -12.907 1.00 63.04 C ATOM 498 O LEU A 53 -13.161 19.438 -12.851 1.00 73.34 O ATOM 499 CB LEU A 53 -15.820 19.562 -10.925 1.00 44.32 C ATOM 500 CG LEU A 53 -17.014 20.267 -10.281 1.00 4.24 C ATOM 501 CD1 LEU A 53 -17.461 19.525 -9.031 1.00 24.13 C ATOM 502 CD2 LEU A 53 -16.665 21.711 -9.950 1.00 15.13 C ATOM 0 H LEU A 53 -17.445 19.763 -12.768 1.00 1.44 H new ATOM 0 HA LEU A 53 -14.999 21.060 -12.231 1.00 11.53 H new ATOM 0 HB2 LEU A 53 -16.044 18.497 -10.991 1.00 44.32 H new ATOM 0 HB3 LEU A 53 -14.961 19.666 -10.262 1.00 44.32 H new ATOM 0 HG LEU A 53 -17.839 20.267 -10.993 1.00 4.24 H new ATOM 0 HD11 LEU A 53 -18.312 20.041 -8.586 1.00 24.13 H new ATOM 0 HD12 LEU A 53 -17.751 18.508 -9.296 1.00 24.13 H new ATOM 0 HD13 LEU A 53 -16.641 19.493 -8.314 1.00 24.13 H new ATOM 0 HD21 LEU A 53 -17.526 22.198 -9.492 1.00 15.13 H new ATOM 0 HD22 LEU A 53 -15.825 21.732 -9.256 1.00 15.13 H new ATOM 0 HD23 LEU A 53 -16.394 22.239 -10.864 1.00 15.13 H new ATOM 514 N ALA A 54 -14.794 18.021 -13.476 1.00 43.31 N ATOM 515 CA ALA A 54 -13.879 17.061 -14.082 1.00 55.41 C ATOM 516 C ALA A 54 -13.072 17.705 -15.204 1.00 3.32 C ATOM 517 O ALA A 54 -11.842 17.648 -15.208 1.00 31.10 O ATOM 518 CB ALA A 54 -14.649 15.858 -14.607 1.00 11.31 C ATOM 0 H ALA A 54 -15.778 17.758 -13.530 1.00 43.31 H new ATOM 0 HA ALA A 54 -13.182 16.726 -13.314 1.00 55.41 H new ATOM 0 HB1 ALA A 54 -13.954 15.149 -15.057 1.00 11.31 H new ATOM 0 HB2 ALA A 54 -15.177 15.376 -13.784 1.00 11.31 H new ATOM 0 HB3 ALA A 54 -15.369 16.186 -15.357 1.00 11.31 H new ATOM 524 N SER A 55 -13.771 18.318 -16.154 1.00 62.41 N ATOM 525 CA SER A 55 -13.118 18.969 -17.284 1.00 31.31 C ATOM 526 C SER A 55 -12.141 20.038 -16.805 1.00 21.35 C ATOM 527 O SER A 55 -11.127 20.303 -17.451 1.00 75.20 O ATOM 528 CB SER A 55 -14.162 19.594 -18.211 1.00 45.54 C ATOM 529 OG SER A 55 -13.542 20.293 -19.278 1.00 35.40 O ATOM 0 H SER A 55 -14.789 18.378 -16.164 1.00 62.41 H new ATOM 0 HA SER A 55 -12.559 18.212 -17.835 1.00 31.31 H new ATOM 0 HB2 SER A 55 -14.811 18.815 -18.611 1.00 45.54 H new ATOM 0 HB3 SER A 55 -14.795 20.276 -17.644 1.00 45.54 H new ATOM 0 HG SER A 55 -14.230 20.682 -19.857 1.00 35.40 H new ATOM 535 N SER A 56 -12.454 20.649 -15.666 1.00 65.42 N ATOM 536 CA SER A 56 -11.606 21.692 -15.101 1.00 20.23 C ATOM 537 C SER A 56 -10.205 21.159 -14.815 1.00 73.53 C ATOM 538 O SER A 56 -9.249 21.925 -14.706 1.00 1.24 O ATOM 539 CB SER A 56 -12.227 22.241 -13.815 1.00 4.31 C ATOM 540 OG SER A 56 -12.241 23.658 -13.821 1.00 1.34 O ATOM 0 H SER A 56 -13.288 20.440 -15.117 1.00 65.42 H new ATOM 0 HA SER A 56 -11.527 22.497 -15.832 1.00 20.23 H new ATOM 0 HB2 SER A 56 -13.244 21.864 -13.709 1.00 4.31 H new ATOM 0 HB3 SER A 56 -11.663 21.883 -12.953 1.00 4.31 H new ATOM 0 HG SER A 56 -12.644 23.985 -12.990 1.00 1.34 H new ATOM 546 N GLN A 57 -10.094 19.839 -14.696 1.00 51.44 N ATOM 547 CA GLN A 57 -8.811 19.203 -14.423 1.00 0.11 C ATOM 548 C GLN A 57 -8.363 18.352 -15.606 1.00 64.51 C ATOM 549 O GLN A 57 -7.461 18.733 -16.352 1.00 34.52 O ATOM 550 CB GLN A 57 -8.904 18.339 -13.164 1.00 12.41 C ATOM 551 CG GLN A 57 -9.140 19.140 -11.893 1.00 62.31 C ATOM 552 CD GLN A 57 -7.858 19.705 -11.313 1.00 51.05 C ATOM 553 OE1 GLN A 57 -7.762 20.902 -11.040 1.00 62.22 O ATOM 554 NE2 GLN A 57 -6.865 18.845 -11.122 1.00 63.03 N ATOM 0 H GLN A 57 -10.876 19.191 -14.784 1.00 51.44 H new ATOM 0 HA GLN A 57 -8.072 19.988 -14.263 1.00 0.11 H new ATOM 0 HB2 GLN A 57 -9.714 17.620 -13.286 1.00 12.41 H new ATOM 0 HB3 GLN A 57 -7.983 17.767 -13.057 1.00 12.41 H new ATOM 0 HG2 GLN A 57 -9.829 19.957 -12.106 1.00 62.31 H new ATOM 0 HG3 GLN A 57 -9.620 18.503 -11.150 1.00 62.31 H new ATOM 0 HE21 GLN A 57 -6.989 17.862 -11.363 1.00 63.03 H new ATOM 0 HE22 GLN A 57 -5.978 19.168 -10.735 1.00 63.03 H new ATOM 563 N GLY A 58 -8.998 17.195 -15.772 1.00 12.44 N ATOM 564 CA GLY A 58 -8.650 16.308 -16.866 1.00 33.44 C ATOM 565 C GLY A 58 -9.818 16.051 -17.798 1.00 21.24 C ATOM 566 O GLY A 58 -10.939 16.486 -17.534 1.00 21.03 O ATOM 0 H GLY A 58 -9.747 16.857 -15.168 1.00 12.44 H new ATOM 0 HA2 GLY A 58 -7.826 16.741 -17.433 1.00 33.44 H new ATOM 0 HA3 GLY A 58 -8.296 15.360 -16.462 1.00 33.44 H new ATOM 570 N ASP A 59 -9.555 15.344 -18.891 1.00 73.12 N ATOM 571 CA ASP A 59 -10.593 15.030 -19.866 1.00 52.24 C ATOM 572 C ASP A 59 -11.462 13.873 -19.382 1.00 41.44 C ATOM 573 O ASP A 59 -10.973 12.943 -18.741 1.00 4.44 O ATOM 574 CB ASP A 59 -9.965 14.683 -21.217 1.00 75.41 C ATOM 575 CG ASP A 59 -10.424 15.611 -22.325 1.00 30.33 C ATOM 576 OD1 ASP A 59 -11.579 16.082 -22.263 1.00 62.34 O ATOM 577 OD2 ASP A 59 -9.628 15.865 -23.253 1.00 55.34 O ATOM 0 H ASP A 59 -8.632 14.977 -19.124 1.00 73.12 H new ATOM 0 HA ASP A 59 -11.225 15.910 -19.983 1.00 52.24 H new ATOM 0 HB2 ASP A 59 -8.879 14.732 -21.133 1.00 75.41 H new ATOM 0 HB3 ASP A 59 -10.219 13.656 -21.479 1.00 75.41 H new ATOM 582 N ILE A 60 -12.752 13.939 -19.693 1.00 71.23 N ATOM 583 CA ILE A 60 -13.688 12.897 -19.290 1.00 33.10 C ATOM 584 C ILE A 60 -14.106 12.042 -20.481 1.00 64.44 C ATOM 585 O ILE A 60 -14.435 12.562 -21.548 1.00 63.23 O ATOM 586 CB ILE A 60 -14.948 13.494 -18.635 1.00 44.41 C ATOM 587 CG1 ILE A 60 -14.560 14.385 -17.453 1.00 15.22 C ATOM 588 CG2 ILE A 60 -15.887 12.386 -18.185 1.00 32.23 C ATOM 589 CD1 ILE A 60 -14.472 15.853 -17.806 1.00 45.30 C ATOM 0 H ILE A 60 -13.173 14.703 -20.222 1.00 71.23 H new ATOM 0 HA ILE A 60 -13.170 12.273 -18.562 1.00 33.10 H new ATOM 0 HB ILE A 60 -15.468 14.106 -19.372 1.00 44.41 H new ATOM 0 HG12 ILE A 60 -15.291 14.255 -16.655 1.00 15.22 H new ATOM 0 HG13 ILE A 60 -13.598 14.056 -17.061 1.00 15.22 H new ATOM 0 HG21 ILE A 60 -16.772 12.824 -17.724 1.00 32.23 H new ATOM 0 HG22 ILE A 60 -16.184 11.789 -19.047 1.00 32.23 H new ATOM 0 HG23 ILE A 60 -15.378 11.750 -17.461 1.00 32.23 H new ATOM 0 HD11 ILE A 60 -14.193 16.424 -16.921 1.00 45.30 H new ATOM 0 HD12 ILE A 60 -13.720 15.996 -18.582 1.00 45.30 H new ATOM 0 HD13 ILE A 60 -15.440 16.198 -18.170 1.00 45.30 H new ATOM 601 N LEU A 61 -14.092 10.727 -20.292 1.00 64.24 N ATOM 602 CA LEU A 61 -14.471 9.798 -21.351 1.00 63.52 C ATOM 603 C LEU A 61 -15.903 9.309 -21.160 1.00 21.01 C ATOM 604 O LEU A 61 -16.571 8.923 -22.119 1.00 71.02 O ATOM 605 CB LEU A 61 -13.512 8.605 -21.378 1.00 14.52 C ATOM 606 CG LEU A 61 -12.042 8.920 -21.099 1.00 71.15 C ATOM 607 CD1 LEU A 61 -11.186 7.677 -21.287 1.00 2.22 C ATOM 608 CD2 LEU A 61 -11.557 10.045 -22.002 1.00 52.01 C ATOM 0 H LEU A 61 -13.822 10.280 -19.416 1.00 64.24 H new ATOM 0 HA LEU A 61 -14.411 10.327 -22.302 1.00 63.52 H new ATOM 0 HB2 LEU A 61 -13.852 7.874 -20.644 1.00 14.52 H new ATOM 0 HB3 LEU A 61 -13.582 8.130 -22.357 1.00 14.52 H new ATOM 0 HG LEU A 61 -11.950 9.247 -20.063 1.00 71.15 H new ATOM 0 HD11 LEU A 61 -10.143 7.920 -21.084 1.00 2.22 H new ATOM 0 HD12 LEU A 61 -11.518 6.899 -20.599 1.00 2.22 H new ATOM 0 HD13 LEU A 61 -11.283 7.320 -22.312 1.00 2.22 H new ATOM 0 HD21 LEU A 61 -10.509 10.256 -21.790 1.00 52.01 H new ATOM 0 HD22 LEU A 61 -11.663 9.746 -23.045 1.00 52.01 H new ATOM 0 HD23 LEU A 61 -12.151 10.940 -21.819 1.00 52.01 H new ATOM 620 N ASP A 62 -16.369 9.331 -19.916 1.00 24.40 N ATOM 621 CA ASP A 62 -17.723 8.893 -19.599 1.00 11.11 C ATOM 622 C ASP A 62 -18.000 9.022 -18.104 1.00 40.23 C ATOM 623 O ASP A 62 -17.266 8.479 -17.278 1.00 74.51 O ATOM 624 CB ASP A 62 -17.932 7.445 -20.046 1.00 10.33 C ATOM 625 CG ASP A 62 -19.150 6.811 -19.404 1.00 15.41 C ATOM 626 OD1 ASP A 62 -20.256 7.377 -19.541 1.00 4.12 O ATOM 627 OD2 ASP A 62 -18.999 5.749 -18.765 1.00 51.24 O ATOM 0 H ASP A 62 -15.829 9.648 -19.111 1.00 24.40 H new ATOM 0 HA ASP A 62 -18.421 9.535 -20.136 1.00 11.11 H new ATOM 0 HB2 ASP A 62 -18.039 7.414 -21.130 1.00 10.33 H new ATOM 0 HB3 ASP A 62 -17.047 6.859 -19.796 1.00 10.33 H new ATOM 632 N ILE A 63 -19.062 9.746 -17.765 1.00 24.52 N ATOM 633 CA ILE A 63 -19.435 9.946 -16.370 1.00 24.40 C ATOM 634 C ILE A 63 -20.639 9.089 -15.995 1.00 20.13 C ATOM 635 O ILE A 63 -21.750 9.317 -16.474 1.00 30.34 O ATOM 636 CB ILE A 63 -19.760 11.423 -16.081 1.00 5.05 C ATOM 637 CG1 ILE A 63 -18.578 12.313 -16.470 1.00 3.52 C ATOM 638 CG2 ILE A 63 -20.110 11.610 -14.612 1.00 2.41 C ATOM 639 CD1 ILE A 63 -18.806 13.781 -16.182 1.00 31.24 C ATOM 0 H ILE A 63 -19.679 10.203 -18.437 1.00 24.52 H new ATOM 0 HA ILE A 63 -18.577 9.647 -15.768 1.00 24.40 H new ATOM 0 HB ILE A 63 -20.623 11.714 -16.680 1.00 5.05 H new ATOM 0 HG12 ILE A 63 -17.690 11.979 -15.933 1.00 3.52 H new ATOM 0 HG13 ILE A 63 -18.373 12.187 -17.533 1.00 3.52 H new ATOM 0 HG21 ILE A 63 -20.337 12.659 -14.423 1.00 2.41 H new ATOM 0 HG22 ILE A 63 -20.979 11.000 -14.364 1.00 2.41 H new ATOM 0 HG23 ILE A 63 -19.265 11.305 -13.995 1.00 2.41 H new ATOM 0 HD11 ILE A 63 -17.927 14.352 -16.483 1.00 31.24 H new ATOM 0 HD12 ILE A 63 -19.674 14.131 -16.740 1.00 31.24 H new ATOM 0 HD13 ILE A 63 -18.981 13.920 -15.115 1.00 31.24 H new ATOM 651 N VAL A 64 -20.411 8.103 -15.133 1.00 34.21 N ATOM 652 CA VAL A 64 -21.478 7.213 -14.690 1.00 52.01 C ATOM 653 C VAL A 64 -22.027 7.645 -13.335 1.00 24.44 C ATOM 654 O VAL A 64 -21.293 8.162 -12.492 1.00 51.43 O ATOM 655 CB VAL A 64 -20.990 5.756 -14.593 1.00 65.55 C ATOM 656 CG1 VAL A 64 -22.137 4.831 -14.215 1.00 40.50 C ATOM 657 CG2 VAL A 64 -20.353 5.319 -15.904 1.00 51.55 C ATOM 0 H VAL A 64 -19.497 7.900 -14.728 1.00 34.21 H new ATOM 0 HA VAL A 64 -22.270 7.274 -15.436 1.00 52.01 H new ATOM 0 HB VAL A 64 -20.234 5.697 -13.810 1.00 65.55 H new ATOM 0 HG11 VAL A 64 -21.772 3.806 -14.152 1.00 40.50 H new ATOM 0 HG12 VAL A 64 -22.544 5.132 -13.250 1.00 40.50 H new ATOM 0 HG13 VAL A 64 -22.918 4.892 -14.973 1.00 40.50 H new ATOM 0 HG21 VAL A 64 -20.014 4.287 -15.817 1.00 51.55 H new ATOM 0 HG22 VAL A 64 -21.086 5.394 -16.707 1.00 51.55 H new ATOM 0 HG23 VAL A 64 -19.502 5.963 -16.128 1.00 51.55 H new ATOM 667 N VAL A 65 -23.322 7.427 -13.130 1.00 41.30 N ATOM 668 CA VAL A 65 -23.970 7.792 -11.876 1.00 5.13 C ATOM 669 C VAL A 65 -25.002 6.748 -11.466 1.00 61.31 C ATOM 670 O VAL A 65 -25.784 6.276 -12.292 1.00 11.24 O ATOM 671 CB VAL A 65 -24.658 9.166 -11.979 1.00 33.05 C ATOM 672 CG1 VAL A 65 -25.163 9.614 -10.615 1.00 45.02 C ATOM 673 CG2 VAL A 65 -23.707 10.196 -12.569 1.00 22.40 C ATOM 0 H VAL A 65 -23.943 6.999 -13.817 1.00 41.30 H new ATOM 0 HA VAL A 65 -23.188 7.842 -11.118 1.00 5.13 H new ATOM 0 HB VAL A 65 -25.516 9.074 -12.645 1.00 33.05 H new ATOM 0 HG11 VAL A 65 -25.646 10.587 -10.707 1.00 45.02 H new ATOM 0 HG12 VAL A 65 -25.881 8.887 -10.236 1.00 45.02 H new ATOM 0 HG13 VAL A 65 -24.324 9.690 -9.923 1.00 45.02 H new ATOM 0 HG21 VAL A 65 -24.210 11.161 -12.634 1.00 22.40 H new ATOM 0 HG22 VAL A 65 -22.828 10.288 -11.931 1.00 22.40 H new ATOM 0 HG23 VAL A 65 -23.400 9.879 -13.566 1.00 22.40 H new ATOM 683 N ASP A 66 -24.999 6.391 -10.187 1.00 4.05 N ATOM 684 CA ASP A 66 -25.936 5.403 -9.666 1.00 33.11 C ATOM 685 C ASP A 66 -27.375 5.887 -9.816 1.00 51.10 C ATOM 686 O ASP A 66 -27.653 6.817 -10.575 1.00 25.12 O ATOM 687 CB ASP A 66 -25.635 5.108 -8.196 1.00 31.23 C ATOM 688 CG ASP A 66 -25.658 3.624 -7.886 1.00 73.25 C ATOM 689 OD1 ASP A 66 -25.202 2.833 -8.738 1.00 64.34 O ATOM 690 OD2 ASP A 66 -26.132 3.253 -6.792 1.00 53.53 O ATOM 0 H ASP A 66 -24.358 6.771 -9.491 1.00 4.05 H new ATOM 0 HA ASP A 66 -25.817 4.486 -10.244 1.00 33.11 H new ATOM 0 HB2 ASP A 66 -24.657 5.514 -7.940 1.00 31.23 H new ATOM 0 HB3 ASP A 66 -26.366 5.618 -7.569 1.00 31.23 H new ATOM 695 N LEU A 67 -28.287 5.250 -9.089 1.00 42.54 N ATOM 696 CA LEU A 67 -29.698 5.615 -9.142 1.00 53.41 C ATOM 697 C LEU A 67 -30.042 6.620 -8.047 1.00 53.12 C ATOM 698 O LEU A 67 -31.207 6.784 -7.685 1.00 32.33 O ATOM 699 CB LEU A 67 -30.573 4.369 -8.999 1.00 73.24 C ATOM 700 CG LEU A 67 -30.177 3.394 -7.890 1.00 64.34 C ATOM 701 CD1 LEU A 67 -29.069 2.467 -8.366 1.00 23.42 C ATOM 702 CD2 LEU A 67 -29.742 4.151 -6.644 1.00 55.41 C ATOM 0 H LEU A 67 -28.074 4.479 -8.456 1.00 42.54 H new ATOM 0 HA LEU A 67 -29.892 6.079 -10.109 1.00 53.41 H new ATOM 0 HB2 LEU A 67 -31.600 4.689 -8.824 1.00 73.24 H new ATOM 0 HB3 LEU A 67 -30.564 3.832 -9.948 1.00 73.24 H new ATOM 0 HG LEU A 67 -31.047 2.788 -7.637 1.00 64.34 H new ATOM 0 HD11 LEU A 67 -28.800 1.780 -7.564 1.00 23.42 H new ATOM 0 HD12 LEU A 67 -29.416 1.899 -9.229 1.00 23.42 H new ATOM 0 HD13 LEU A 67 -28.196 3.057 -8.646 1.00 23.42 H new ATOM 0 HD21 LEU A 67 -29.464 3.441 -5.865 1.00 55.41 H new ATOM 0 HD22 LEU A 67 -28.886 4.782 -6.882 1.00 55.41 H new ATOM 0 HD23 LEU A 67 -30.564 4.773 -6.291 1.00 55.41 H new ATOM 714 N SER A 68 -29.021 7.292 -7.526 1.00 1.13 N ATOM 715 CA SER A 68 -29.215 8.280 -6.471 1.00 2.11 C ATOM 716 C SER A 68 -30.038 7.698 -5.326 1.00 25.14 C ATOM 717 O SER A 68 -31.110 8.205 -4.996 1.00 42.33 O ATOM 718 CB SER A 68 -29.907 9.525 -7.030 1.00 20.32 C ATOM 719 OG SER A 68 -30.233 10.435 -5.994 1.00 52.32 O ATOM 0 H SER A 68 -28.051 7.171 -7.817 1.00 1.13 H new ATOM 0 HA SER A 68 -28.235 8.560 -6.085 1.00 2.11 H new ATOM 0 HB2 SER A 68 -29.255 10.013 -7.755 1.00 20.32 H new ATOM 0 HB3 SER A 68 -30.813 9.234 -7.561 1.00 20.32 H new ATOM 0 HG SER A 68 -30.894 10.027 -5.396 1.00 52.32 H new ATOM 725 N ASP A 69 -29.527 6.630 -4.723 1.00 35.41 N ATOM 726 CA ASP A 69 -30.213 5.977 -3.613 1.00 53.44 C ATOM 727 C ASP A 69 -30.056 6.784 -2.328 1.00 75.11 C ATOM 728 O ASP A 69 -29.035 7.436 -2.114 1.00 3.34 O ATOM 729 CB ASP A 69 -29.670 4.562 -3.411 1.00 71.14 C ATOM 730 CG ASP A 69 -30.732 3.500 -3.617 1.00 20.44 C ATOM 731 OD1 ASP A 69 -31.636 3.718 -4.450 1.00 23.20 O ATOM 732 OD2 ASP A 69 -30.660 2.450 -2.943 1.00 42.10 O ATOM 0 H ASP A 69 -28.641 6.198 -4.984 1.00 35.41 H new ATOM 0 HA ASP A 69 -31.274 5.919 -3.857 1.00 53.44 H new ATOM 0 HB2 ASP A 69 -28.848 4.389 -4.105 1.00 71.14 H new ATOM 0 HB3 ASP A 69 -29.262 4.473 -2.404 1.00 71.14 H new ATOM 737 N ASP A 70 -31.075 6.735 -1.477 1.00 55.33 N ATOM 738 CA ASP A 70 -31.051 7.461 -0.213 1.00 12.42 C ATOM 739 C ASP A 70 -30.139 6.769 0.794 1.00 25.52 C ATOM 740 O ASP A 70 -29.890 7.288 1.881 1.00 1.12 O ATOM 741 CB ASP A 70 -32.465 7.580 0.359 1.00 42.32 C ATOM 742 CG ASP A 70 -33.039 8.974 0.199 1.00 43.33 C ATOM 743 OD1 ASP A 70 -33.042 9.487 -0.940 1.00 33.21 O ATOM 744 OD2 ASP A 70 -33.484 9.553 1.212 1.00 4.31 O ATOM 0 H ASP A 70 -31.928 6.200 -1.640 1.00 55.33 H new ATOM 0 HA ASP A 70 -30.659 8.460 -0.404 1.00 12.42 H new ATOM 0 HB2 ASP A 70 -33.117 6.862 -0.139 1.00 42.32 H new ATOM 0 HB3 ASP A 70 -32.449 7.316 1.416 1.00 42.32 H new ATOM 749 N ASN A 71 -29.643 5.592 0.425 1.00 73.24 N ATOM 750 CA ASN A 71 -28.759 4.827 1.296 1.00 34.44 C ATOM 751 C ASN A 71 -27.409 4.587 0.627 1.00 34.13 C ATOM 752 O ASN A 71 -26.468 4.110 1.260 1.00 65.50 O ATOM 753 CB ASN A 71 -29.404 3.488 1.663 1.00 11.54 C ATOM 754 CG ASN A 71 -28.918 2.960 2.999 1.00 35.22 C ATOM 755 OD1 ASN A 71 -28.636 3.729 3.918 1.00 32.32 O ATOM 756 ND2 ASN A 71 -28.819 1.640 3.112 1.00 2.42 N ATOM 0 H ASN A 71 -29.839 5.148 -0.472 1.00 73.24 H new ATOM 0 HA ASN A 71 -28.596 5.406 2.205 1.00 34.44 H new ATOM 0 HB2 ASN A 71 -30.487 3.606 1.694 1.00 11.54 H new ATOM 0 HB3 ASN A 71 -29.185 2.757 0.885 1.00 11.54 H new ATOM 0 HD21 ASN A 71 -28.498 1.226 3.987 1.00 2.42 H new ATOM 0 HD22 ASN A 71 -29.064 1.041 2.324 1.00 2.42 H new ATOM 763 N SER A 72 -27.323 4.922 -0.656 1.00 12.30 N ATOM 764 CA SER A 72 -26.090 4.741 -1.412 1.00 62.13 C ATOM 765 C SER A 72 -25.517 6.086 -1.849 1.00 75.00 C ATOM 766 O SER A 72 -24.510 6.548 -1.314 1.00 74.13 O ATOM 767 CB SER A 72 -26.343 3.860 -2.637 1.00 63.41 C ATOM 768 OG SER A 72 -25.144 3.630 -3.356 1.00 65.14 O ATOM 0 H SER A 72 -28.093 5.320 -1.194 1.00 12.30 H new ATOM 0 HA SER A 72 -25.364 4.250 -0.763 1.00 62.13 H new ATOM 0 HB2 SER A 72 -26.770 2.908 -2.322 1.00 63.41 H new ATOM 0 HB3 SER A 72 -27.075 4.338 -3.288 1.00 63.41 H new ATOM 0 HG SER A 72 -24.960 2.668 -3.386 1.00 65.14 H new ATOM 774 N GLY A 73 -26.168 6.710 -2.826 1.00 55.11 N ATOM 775 CA GLY A 73 -25.711 7.996 -3.319 1.00 63.14 C ATOM 776 C GLY A 73 -24.240 7.986 -3.685 1.00 42.23 C ATOM 777 O GLY A 73 -23.384 8.306 -2.860 1.00 14.34 O ATOM 0 H GLY A 73 -27.004 6.348 -3.285 1.00 55.11 H new ATOM 0 HA2 GLY A 73 -26.298 8.276 -4.194 1.00 63.14 H new ATOM 0 HA3 GLY A 73 -25.888 8.757 -2.559 1.00 63.14 H new ATOM 781 N LYS A 74 -23.943 7.616 -4.926 1.00 40.35 N ATOM 782 CA LYS A 74 -22.565 7.565 -5.401 1.00 53.24 C ATOM 783 C LYS A 74 -22.509 7.683 -6.921 1.00 41.21 C ATOM 784 O LYS A 74 -23.541 7.788 -7.584 1.00 23.25 O ATOM 785 CB LYS A 74 -21.898 6.262 -4.955 1.00 75.03 C ATOM 786 CG LYS A 74 -22.606 5.014 -5.455 1.00 52.53 C ATOM 787 CD LYS A 74 -21.734 3.780 -5.302 1.00 72.53 C ATOM 788 CE LYS A 74 -22.571 2.510 -5.243 1.00 45.54 C ATOM 789 NZ LYS A 74 -22.130 1.606 -4.146 1.00 4.15 N ATOM 0 H LYS A 74 -24.639 7.347 -5.622 1.00 40.35 H new ATOM 0 HA LYS A 74 -22.026 8.408 -4.968 1.00 53.24 H new ATOM 0 HB2 LYS A 74 -20.867 6.251 -5.309 1.00 75.03 H new ATOM 0 HB3 LYS A 74 -21.861 6.237 -3.866 1.00 75.03 H new ATOM 0 HG2 LYS A 74 -23.535 4.875 -4.902 1.00 52.53 H new ATOM 0 HG3 LYS A 74 -22.875 5.143 -6.503 1.00 52.53 H new ATOM 0 HD2 LYS A 74 -21.037 3.719 -6.138 1.00 72.53 H new ATOM 0 HD3 LYS A 74 -21.136 3.866 -4.395 1.00 72.53 H new ATOM 0 HE2 LYS A 74 -23.619 2.772 -5.098 1.00 45.54 H new ATOM 0 HE3 LYS A 74 -22.502 1.985 -6.196 1.00 45.54 H new ATOM 0 HZ1 LYS A 74 -22.725 0.753 -4.139 1.00 4.15 H new ATOM 0 HZ2 LYS A 74 -21.137 1.335 -4.297 1.00 4.15 H new ATOM 0 HZ3 LYS A 74 -22.220 2.098 -3.234 1.00 4.15 H new ATOM 803 N ALA A 75 -21.297 7.664 -7.467 1.00 14.10 N ATOM 804 CA ALA A 75 -21.107 7.765 -8.909 1.00 14.44 C ATOM 805 C ALA A 75 -19.666 7.451 -9.296 1.00 34.21 C ATOM 806 O ALA A 75 -18.834 7.153 -8.439 1.00 1.20 O ATOM 807 CB ALA A 75 -21.496 9.153 -9.396 1.00 1.41 C ATOM 0 H ALA A 75 -20.432 7.580 -6.932 1.00 14.10 H new ATOM 0 HA ALA A 75 -21.753 7.029 -9.388 1.00 14.44 H new ATOM 0 HB1 ALA A 75 -21.349 9.215 -10.474 1.00 1.41 H new ATOM 0 HB2 ALA A 75 -22.544 9.341 -9.161 1.00 1.41 H new ATOM 0 HB3 ALA A 75 -20.874 9.899 -8.902 1.00 1.41 H new ATOM 813 N TYR A 76 -19.379 7.518 -10.591 1.00 21.30 N ATOM 814 CA TYR A 76 -18.039 7.237 -11.092 1.00 23.21 C ATOM 815 C TYR A 76 -17.701 8.136 -12.277 1.00 63.54 C ATOM 816 O TYR A 76 -18.454 8.210 -13.249 1.00 22.51 O ATOM 817 CB TYR A 76 -17.922 5.768 -11.502 1.00 33.32 C ATOM 818 CG TYR A 76 -18.724 4.830 -10.628 1.00 32.11 C ATOM 819 CD1 TYR A 76 -20.067 4.583 -10.889 1.00 4.20 C ATOM 820 CD2 TYR A 76 -18.140 4.191 -9.541 1.00 53.30 C ATOM 821 CE1 TYR A 76 -20.804 3.728 -10.093 1.00 64.31 C ATOM 822 CE2 TYR A 76 -18.869 3.333 -8.741 1.00 11.14 C ATOM 823 CZ TYR A 76 -20.200 3.105 -9.020 1.00 73.25 C ATOM 824 OH TYR A 76 -20.930 2.252 -8.225 1.00 31.33 O ATOM 0 H TYR A 76 -20.056 7.764 -11.313 1.00 21.30 H new ATOM 0 HA TYR A 76 -17.329 7.441 -10.290 1.00 23.21 H new ATOM 0 HB2 TYR A 76 -18.252 5.660 -12.535 1.00 33.32 H new ATOM 0 HB3 TYR A 76 -16.873 5.473 -11.470 1.00 33.32 H new ATOM 0 HD1 TYR A 76 -20.542 5.068 -11.729 1.00 4.20 H new ATOM 0 HD2 TYR A 76 -17.098 4.368 -9.318 1.00 53.30 H new ATOM 0 HE1 TYR A 76 -21.847 3.548 -10.309 1.00 64.31 H new ATOM 0 HE2 TYR A 76 -18.399 2.843 -7.901 1.00 11.14 H new ATOM 0 HH TYR A 76 -20.357 1.896 -7.515 1.00 31.33 H new ATOM 834 N ILE A 77 -16.563 8.816 -12.190 1.00 1.11 N ATOM 835 CA ILE A 77 -16.123 9.709 -13.255 1.00 73.42 C ATOM 836 C ILE A 77 -14.924 9.129 -13.998 1.00 75.13 C ATOM 837 O ILE A 77 -13.817 9.071 -13.463 1.00 52.23 O ATOM 838 CB ILE A 77 -15.750 11.099 -12.707 1.00 30.41 C ATOM 839 CG1 ILE A 77 -16.854 11.620 -11.784 1.00 44.25 C ATOM 840 CG2 ILE A 77 -15.505 12.071 -13.851 1.00 61.11 C ATOM 841 CD1 ILE A 77 -16.569 12.994 -11.218 1.00 62.41 C ATOM 0 H ILE A 77 -15.929 8.766 -11.393 1.00 1.11 H new ATOM 0 HA ILE A 77 -16.960 9.813 -13.945 1.00 73.42 H new ATOM 0 HB ILE A 77 -14.830 11.011 -12.128 1.00 30.41 H new ATOM 0 HG12 ILE A 77 -17.794 11.651 -12.336 1.00 44.25 H new ATOM 0 HG13 ILE A 77 -16.990 10.918 -10.961 1.00 44.25 H new ATOM 0 HG21 ILE A 77 -15.242 13.049 -13.448 1.00 61.11 H new ATOM 0 HG22 ILE A 77 -14.688 11.703 -14.472 1.00 61.11 H new ATOM 0 HG23 ILE A 77 -16.409 12.158 -14.454 1.00 61.11 H new ATOM 0 HD11 ILE A 77 -17.393 13.300 -10.573 1.00 62.41 H new ATOM 0 HD12 ILE A 77 -15.646 12.965 -10.638 1.00 62.41 H new ATOM 0 HD13 ILE A 77 -16.462 13.709 -12.034 1.00 62.41 H new ATOM 853 N VAL A 78 -15.153 8.702 -15.236 1.00 64.42 N ATOM 854 CA VAL A 78 -14.091 8.129 -16.055 1.00 61.11 C ATOM 855 C VAL A 78 -13.285 9.220 -16.752 1.00 33.42 C ATOM 856 O VAL A 78 -13.841 10.066 -17.452 1.00 74.44 O ATOM 857 CB VAL A 78 -14.658 7.167 -17.116 1.00 45.14 C ATOM 858 CG1 VAL A 78 -13.533 6.408 -17.804 1.00 40.12 C ATOM 859 CG2 VAL A 78 -15.653 6.205 -16.486 1.00 13.42 C ATOM 0 H VAL A 78 -16.064 8.742 -15.694 1.00 64.42 H new ATOM 0 HA VAL A 78 -13.438 7.572 -15.383 1.00 61.11 H new ATOM 0 HB VAL A 78 -15.183 7.754 -17.870 1.00 45.14 H new ATOM 0 HG11 VAL A 78 -13.952 5.733 -18.550 1.00 40.12 H new ATOM 0 HG12 VAL A 78 -12.862 7.115 -18.291 1.00 40.12 H new ATOM 0 HG13 VAL A 78 -12.978 5.831 -17.064 1.00 40.12 H new ATOM 0 HG21 VAL A 78 -16.043 5.533 -17.250 1.00 13.42 H new ATOM 0 HG22 VAL A 78 -15.155 5.623 -15.711 1.00 13.42 H new ATOM 0 HG23 VAL A 78 -16.475 6.769 -16.045 1.00 13.42 H new ATOM 869 N PHE A 79 -11.971 9.194 -16.555 1.00 72.23 N ATOM 870 CA PHE A 79 -11.088 10.181 -17.165 1.00 4.04 C ATOM 871 C PHE A 79 -10.243 9.548 -18.266 1.00 43.24 C ATOM 872 O PHE A 79 -10.327 8.346 -18.514 1.00 65.23 O ATOM 873 CB PHE A 79 -10.178 10.806 -16.104 1.00 54.14 C ATOM 874 CG PHE A 79 -10.879 11.804 -15.227 1.00 22.43 C ATOM 875 CD1 PHE A 79 -10.974 13.133 -15.606 1.00 20.04 C ATOM 876 CD2 PHE A 79 -11.442 11.412 -14.023 1.00 74.11 C ATOM 877 CE1 PHE A 79 -11.617 14.053 -14.799 1.00 72.13 C ATOM 878 CE2 PHE A 79 -12.087 12.327 -13.213 1.00 13.42 C ATOM 879 CZ PHE A 79 -12.176 13.649 -13.602 1.00 44.51 C ATOM 0 H PHE A 79 -11.495 8.501 -15.978 1.00 72.23 H new ATOM 0 HA PHE A 79 -11.707 10.961 -17.609 1.00 4.04 H new ATOM 0 HB2 PHE A 79 -9.763 10.014 -15.480 1.00 54.14 H new ATOM 0 HB3 PHE A 79 -9.339 11.295 -16.599 1.00 54.14 H new ATOM 0 HD1 PHE A 79 -10.541 13.454 -16.542 1.00 20.04 H new ATOM 0 HD2 PHE A 79 -11.376 10.379 -13.714 1.00 74.11 H new ATOM 0 HE1 PHE A 79 -11.682 15.087 -15.104 1.00 72.13 H new ATOM 0 HE2 PHE A 79 -12.521 12.009 -12.277 1.00 13.42 H new ATOM 0 HZ PHE A 79 -12.682 14.366 -12.972 1.00 44.51 H new ATOM 889 N ALA A 80 -9.429 10.368 -18.924 1.00 73.35 N ATOM 890 CA ALA A 80 -8.568 9.889 -19.999 1.00 10.24 C ATOM 891 C ALA A 80 -7.568 8.859 -19.483 1.00 53.51 C ATOM 892 O ALA A 80 -7.313 7.846 -20.134 1.00 73.40 O ATOM 893 CB ALA A 80 -7.839 11.055 -20.650 1.00 12.21 C ATOM 0 H ALA A 80 -9.348 11.366 -18.731 1.00 73.35 H new ATOM 0 HA ALA A 80 -9.196 9.405 -20.747 1.00 10.24 H new ATOM 0 HB1 ALA A 80 -7.200 10.683 -21.451 1.00 12.21 H new ATOM 0 HB2 ALA A 80 -8.566 11.755 -21.062 1.00 12.21 H new ATOM 0 HB3 ALA A 80 -7.228 11.564 -19.905 1.00 12.21 H new ATOM 899 N THR A 81 -7.003 9.126 -18.310 1.00 32.25 N ATOM 900 CA THR A 81 -6.030 8.223 -17.708 1.00 1.54 C ATOM 901 C THR A 81 -5.796 8.566 -16.241 1.00 2.42 C ATOM 902 O THR A 81 -6.236 9.611 -15.761 1.00 22.30 O ATOM 903 CB THR A 81 -4.684 8.270 -18.455 1.00 22.50 C ATOM 904 OG1 THR A 81 -4.786 9.130 -19.595 1.00 62.54 O ATOM 905 CG2 THR A 81 -4.264 6.877 -18.900 1.00 22.32 C ATOM 0 H THR A 81 -7.202 9.960 -17.758 1.00 32.25 H new ATOM 0 HA THR A 81 -6.444 7.217 -17.782 1.00 1.54 H new ATOM 0 HB THR A 81 -3.928 8.660 -17.773 1.00 22.50 H new ATOM 0 HG1 THR A 81 -3.926 9.156 -20.064 1.00 62.54 H new ATOM 0 HG21 THR A 81 -3.311 6.935 -19.425 1.00 22.32 H new ATOM 0 HG22 THR A 81 -4.159 6.233 -18.027 1.00 22.32 H new ATOM 0 HG23 THR A 81 -5.021 6.464 -19.567 1.00 22.32 H new ATOM 913 N GLN A 82 -5.100 7.681 -15.535 1.00 10.13 N ATOM 914 CA GLN A 82 -4.808 7.892 -14.122 1.00 21.43 C ATOM 915 C GLN A 82 -4.167 9.257 -13.896 1.00 12.02 C ATOM 916 O GLN A 82 -4.322 9.857 -12.833 1.00 24.35 O ATOM 917 CB GLN A 82 -3.885 6.789 -13.600 1.00 45.23 C ATOM 918 CG GLN A 82 -4.168 6.388 -12.162 1.00 33.41 C ATOM 919 CD GLN A 82 -3.136 6.927 -11.191 1.00 73.21 C ATOM 920 OE1 GLN A 82 -2.743 8.091 -11.268 1.00 52.22 O ATOM 921 NE2 GLN A 82 -2.691 6.081 -10.269 1.00 72.34 N ATOM 0 H GLN A 82 -4.728 6.812 -15.918 1.00 10.13 H new ATOM 0 HA GLN A 82 -5.749 7.858 -13.574 1.00 21.43 H new ATOM 0 HB2 GLN A 82 -3.984 5.912 -14.239 1.00 45.23 H new ATOM 0 HB3 GLN A 82 -2.851 7.125 -13.678 1.00 45.23 H new ATOM 0 HG2 GLN A 82 -5.155 6.751 -11.875 1.00 33.41 H new ATOM 0 HG3 GLN A 82 -4.195 5.301 -12.091 1.00 33.41 H new ATOM 0 HE21 GLN A 82 -3.044 5.125 -10.242 1.00 72.34 H new ATOM 0 HE22 GLN A 82 -1.996 6.388 -9.588 1.00 72.34 H new ATOM 930 N GLU A 83 -3.448 9.742 -14.903 1.00 64.42 N ATOM 931 CA GLU A 83 -2.783 11.036 -14.813 1.00 4.24 C ATOM 932 C GLU A 83 -3.790 12.147 -14.529 1.00 31.32 C ATOM 933 O GLU A 83 -3.614 12.937 -13.602 1.00 44.51 O ATOM 934 CB GLU A 83 -2.026 11.338 -16.108 1.00 72.41 C ATOM 935 CG GLU A 83 -0.741 10.542 -16.261 1.00 43.25 C ATOM 936 CD GLU A 83 -0.180 10.606 -17.669 1.00 4.12 C ATOM 937 OE1 GLU A 83 -0.584 9.772 -18.506 1.00 44.32 O ATOM 938 OE2 GLU A 83 0.663 11.489 -17.933 1.00 21.14 O ATOM 0 H GLU A 83 -3.311 9.258 -15.790 1.00 64.42 H new ATOM 0 HA GLU A 83 -2.073 10.993 -13.987 1.00 4.24 H new ATOM 0 HB2 GLU A 83 -2.677 11.128 -16.957 1.00 72.41 H new ATOM 0 HB3 GLU A 83 -1.791 12.402 -16.142 1.00 72.41 H new ATOM 0 HG2 GLU A 83 0.003 10.921 -15.560 1.00 43.25 H new ATOM 0 HG3 GLU A 83 -0.928 9.502 -15.995 1.00 43.25 H new ATOM 945 N SER A 84 -4.846 12.199 -15.334 1.00 14.31 N ATOM 946 CA SER A 84 -5.880 13.215 -15.173 1.00 33.10 C ATOM 947 C SER A 84 -6.742 12.924 -13.948 1.00 22.21 C ATOM 948 O SER A 84 -7.028 13.816 -13.151 1.00 13.42 O ATOM 949 CB SER A 84 -6.759 13.281 -16.424 1.00 5.51 C ATOM 950 OG SER A 84 -6.351 14.337 -17.278 1.00 31.35 O ATOM 0 H SER A 84 -5.008 11.550 -16.104 1.00 14.31 H new ATOM 0 HA SER A 84 -5.389 14.178 -15.030 1.00 33.10 H new ATOM 0 HB2 SER A 84 -6.706 12.334 -16.960 1.00 5.51 H new ATOM 0 HB3 SER A 84 -7.800 13.425 -16.134 1.00 5.51 H new ATOM 0 HG SER A 84 -6.927 14.357 -18.071 1.00 31.35 H new ATOM 956 N ALA A 85 -7.152 11.668 -13.806 1.00 25.55 N ATOM 957 CA ALA A 85 -7.978 11.257 -12.678 1.00 34.15 C ATOM 958 C ALA A 85 -7.341 11.664 -11.353 1.00 73.41 C ATOM 959 O ALA A 85 -7.956 12.361 -10.547 1.00 53.22 O ATOM 960 CB ALA A 85 -8.212 9.754 -12.714 1.00 23.13 C ATOM 0 H ALA A 85 -6.925 10.917 -14.458 1.00 25.55 H new ATOM 0 HA ALA A 85 -8.939 11.765 -12.760 1.00 34.15 H new ATOM 0 HB1 ALA A 85 -8.830 9.462 -11.865 1.00 23.13 H new ATOM 0 HB2 ALA A 85 -8.719 9.487 -13.641 1.00 23.13 H new ATOM 0 HB3 ALA A 85 -7.255 9.235 -12.661 1.00 23.13 H new ATOM 966 N GLN A 86 -6.107 11.222 -11.135 1.00 44.25 N ATOM 967 CA GLN A 86 -5.388 11.540 -9.907 1.00 62.23 C ATOM 968 C GLN A 86 -5.310 13.048 -9.696 1.00 53.35 C ATOM 969 O GLN A 86 -5.348 13.529 -8.564 1.00 42.34 O ATOM 970 CB GLN A 86 -3.979 10.946 -9.948 1.00 22.42 C ATOM 971 CG GLN A 86 -3.126 11.319 -8.746 1.00 51.21 C ATOM 972 CD GLN A 86 -2.075 10.274 -8.429 1.00 45.31 C ATOM 973 OE1 GLN A 86 -1.232 9.951 -9.267 1.00 33.50 O ATOM 974 NE2 GLN A 86 -2.118 9.740 -7.214 1.00 44.31 N ATOM 0 H GLN A 86 -5.584 10.643 -11.792 1.00 44.25 H new ATOM 0 HA GLN A 86 -5.936 11.103 -9.072 1.00 62.23 H new ATOM 0 HB2 GLN A 86 -4.053 9.860 -10.007 1.00 22.42 H new ATOM 0 HB3 GLN A 86 -3.479 11.282 -10.856 1.00 22.42 H new ATOM 0 HG2 GLN A 86 -2.637 12.275 -8.935 1.00 51.21 H new ATOM 0 HG3 GLN A 86 -3.770 11.456 -7.877 1.00 51.21 H new ATOM 0 HE21 GLN A 86 -2.834 10.037 -6.551 1.00 44.31 H new ATOM 0 HE22 GLN A 86 -1.435 9.032 -6.943 1.00 44.31 H new ATOM 983 N ALA A 87 -5.202 13.789 -10.794 1.00 43.43 N ATOM 984 CA ALA A 87 -5.121 15.243 -10.730 1.00 3.34 C ATOM 985 C ALA A 87 -6.415 15.842 -10.190 1.00 74.12 C ATOM 986 O ALA A 87 -6.393 16.732 -9.340 1.00 24.45 O ATOM 987 CB ALA A 87 -4.804 15.816 -12.103 1.00 72.02 C ATOM 0 H ALA A 87 -5.169 13.406 -11.739 1.00 43.43 H new ATOM 0 HA ALA A 87 -4.316 15.507 -10.044 1.00 3.34 H new ATOM 0 HB1 ALA A 87 -4.747 16.903 -12.039 1.00 72.02 H new ATOM 0 HB2 ALA A 87 -3.849 15.422 -12.450 1.00 72.02 H new ATOM 0 HB3 ALA A 87 -5.589 15.535 -12.805 1.00 72.02 H new ATOM 993 N PHE A 88 -7.543 15.349 -10.691 1.00 33.22 N ATOM 994 CA PHE A 88 -8.848 15.837 -10.260 1.00 74.52 C ATOM 995 C PHE A 88 -9.189 15.320 -8.865 1.00 42.23 C ATOM 996 O PHE A 88 -9.832 16.011 -8.075 1.00 73.11 O ATOM 997 CB PHE A 88 -9.930 15.407 -11.253 1.00 71.04 C ATOM 998 CG PHE A 88 -11.328 15.633 -10.752 1.00 61.12 C ATOM 999 CD1 PHE A 88 -11.977 14.661 -10.008 1.00 24.14 C ATOM 1000 CD2 PHE A 88 -11.993 16.817 -11.025 1.00 41.40 C ATOM 1001 CE1 PHE A 88 -13.263 14.866 -9.546 1.00 0.10 C ATOM 1002 CE2 PHE A 88 -13.279 17.028 -10.566 1.00 14.43 C ATOM 1003 CZ PHE A 88 -13.915 16.052 -9.824 1.00 63.32 C ATOM 0 H PHE A 88 -7.580 14.612 -11.395 1.00 33.22 H new ATOM 0 HA PHE A 88 -8.807 16.926 -10.225 1.00 74.52 H new ATOM 0 HB2 PHE A 88 -9.794 15.954 -12.186 1.00 71.04 H new ATOM 0 HB3 PHE A 88 -9.801 14.349 -11.483 1.00 71.04 H new ATOM 0 HD1 PHE A 88 -11.472 13.732 -9.787 1.00 24.14 H new ATOM 0 HD2 PHE A 88 -11.500 17.584 -11.604 1.00 41.40 H new ATOM 0 HE1 PHE A 88 -13.758 14.100 -8.968 1.00 0.10 H new ATOM 0 HE2 PHE A 88 -13.786 17.955 -10.787 1.00 14.43 H new ATOM 0 HZ PHE A 88 -14.919 16.215 -9.462 1.00 63.32 H new ATOM 1013 N VAL A 89 -8.752 14.100 -8.570 1.00 33.14 N ATOM 1014 CA VAL A 89 -9.010 13.490 -7.271 1.00 25.24 C ATOM 1015 C VAL A 89 -8.268 14.226 -6.161 1.00 3.30 C ATOM 1016 O VAL A 89 -8.809 14.443 -5.078 1.00 10.25 O ATOM 1017 CB VAL A 89 -8.593 12.007 -7.255 1.00 35.22 C ATOM 1018 CG1 VAL A 89 -8.791 11.412 -5.869 1.00 23.40 C ATOM 1019 CG2 VAL A 89 -9.377 11.223 -8.297 1.00 44.01 C ATOM 0 H VAL A 89 -8.218 13.515 -9.212 1.00 33.14 H new ATOM 0 HA VAL A 89 -10.084 13.561 -7.096 1.00 25.24 H new ATOM 0 HB VAL A 89 -7.534 11.942 -7.505 1.00 35.22 H new ATOM 0 HG11 VAL A 89 -8.491 10.364 -5.877 1.00 23.40 H new ATOM 0 HG12 VAL A 89 -8.182 11.958 -5.148 1.00 23.40 H new ATOM 0 HG13 VAL A 89 -9.841 11.487 -5.588 1.00 23.40 H new ATOM 0 HG21 VAL A 89 -9.070 10.177 -8.272 1.00 44.01 H new ATOM 0 HG22 VAL A 89 -10.443 11.294 -8.080 1.00 44.01 H new ATOM 0 HG23 VAL A 89 -9.180 11.636 -9.287 1.00 44.01 H new ATOM 1029 N GLU A 90 -7.025 14.609 -6.440 1.00 34.22 N ATOM 1030 CA GLU A 90 -6.209 15.321 -5.464 1.00 10.31 C ATOM 1031 C GLU A 90 -6.548 16.809 -5.454 1.00 2.21 C ATOM 1032 O GLU A 90 -6.345 17.496 -4.453 1.00 60.12 O ATOM 1033 CB GLU A 90 -4.723 15.128 -5.771 1.00 24.52 C ATOM 1034 CG GLU A 90 -4.223 15.979 -6.926 1.00 15.21 C ATOM 1035 CD GLU A 90 -3.513 17.235 -6.460 1.00 44.01 C ATOM 1036 OE1 GLU A 90 -2.486 17.111 -5.761 1.00 5.42 O ATOM 1037 OE2 GLU A 90 -3.984 18.342 -6.796 1.00 21.13 O ATOM 0 H GLU A 90 -6.562 14.438 -7.333 1.00 34.22 H new ATOM 0 HA GLU A 90 -6.425 14.910 -4.478 1.00 10.31 H new ATOM 0 HB2 GLU A 90 -4.143 15.365 -4.879 1.00 24.52 H new ATOM 0 HB3 GLU A 90 -4.542 14.078 -6.000 1.00 24.52 H new ATOM 0 HG2 GLU A 90 -3.543 15.388 -7.540 1.00 15.21 H new ATOM 0 HG3 GLU A 90 -5.065 16.256 -7.560 1.00 15.21 H new ATOM 1044 N ALA A 91 -7.065 17.300 -6.576 1.00 25.13 N ATOM 1045 CA ALA A 91 -7.433 18.705 -6.696 1.00 41.04 C ATOM 1046 C ALA A 91 -8.737 18.996 -5.962 1.00 33.41 C ATOM 1047 O ALA A 91 -9.001 20.133 -5.570 1.00 60.25 O ATOM 1048 CB ALA A 91 -7.552 19.095 -8.162 1.00 41.41 C ATOM 0 H ALA A 91 -7.238 16.745 -7.414 1.00 25.13 H new ATOM 0 HA ALA A 91 -6.646 19.302 -6.235 1.00 41.04 H new ATOM 0 HB1 ALA A 91 -7.827 20.147 -8.237 1.00 41.41 H new ATOM 0 HB2 ALA A 91 -6.596 18.934 -8.660 1.00 41.41 H new ATOM 0 HB3 ALA A 91 -8.318 18.484 -8.640 1.00 41.41 H new ATOM 1054 N PHE A 92 -9.551 17.961 -5.779 1.00 1.04 N ATOM 1055 CA PHE A 92 -10.829 18.106 -5.092 1.00 54.04 C ATOM 1056 C PHE A 92 -10.907 17.177 -3.885 1.00 21.44 C ATOM 1057 O PHE A 92 -11.953 17.057 -3.248 1.00 30.33 O ATOM 1058 CB PHE A 92 -11.984 17.811 -6.052 1.00 61.22 C ATOM 1059 CG PHE A 92 -12.203 18.888 -7.076 1.00 24.20 C ATOM 1060 CD1 PHE A 92 -11.235 19.164 -8.028 1.00 64.32 C ATOM 1061 CD2 PHE A 92 -13.376 19.625 -7.086 1.00 20.42 C ATOM 1062 CE1 PHE A 92 -11.433 20.154 -8.972 1.00 62.10 C ATOM 1063 CE2 PHE A 92 -13.580 20.616 -8.027 1.00 60.54 C ATOM 1064 CZ PHE A 92 -12.607 20.881 -8.971 1.00 2.42 C ATOM 0 H PHE A 92 -9.348 17.013 -6.097 1.00 1.04 H new ATOM 0 HA PHE A 92 -10.910 19.135 -4.742 1.00 54.04 H new ATOM 0 HB2 PHE A 92 -11.789 16.869 -6.564 1.00 61.22 H new ATOM 0 HB3 PHE A 92 -12.900 17.677 -5.476 1.00 61.22 H new ATOM 0 HD1 PHE A 92 -10.315 18.599 -8.033 1.00 64.32 H new ATOM 0 HD2 PHE A 92 -14.140 19.423 -6.350 1.00 20.42 H new ATOM 0 HE1 PHE A 92 -10.671 20.359 -9.709 1.00 62.10 H new ATOM 0 HE2 PHE A 92 -14.499 21.183 -8.024 1.00 60.54 H new ATOM 0 HZ PHE A 92 -12.764 21.656 -9.707 1.00 2.42 H new ATOM 1074 N GLN A 93 -9.792 16.522 -3.577 1.00 71.52 N ATOM 1075 CA GLN A 93 -9.734 15.602 -2.447 1.00 70.11 C ATOM 1076 C GLN A 93 -10.331 16.238 -1.196 1.00 40.32 C ATOM 1077 O GLN A 93 -10.940 15.558 -0.372 1.00 13.01 O ATOM 1078 CB GLN A 93 -8.288 15.181 -2.179 1.00 71.30 C ATOM 1079 CG GLN A 93 -8.088 14.518 -0.825 1.00 55.34 C ATOM 1080 CD GLN A 93 -8.925 13.265 -0.660 1.00 12.01 C ATOM 1081 OE1 GLN A 93 -9.695 13.140 0.293 1.00 55.33 O ATOM 1082 NE2 GLN A 93 -8.778 12.328 -1.589 1.00 74.21 N ATOM 0 H GLN A 93 -8.917 16.611 -4.094 1.00 71.52 H new ATOM 0 HA GLN A 93 -10.321 14.719 -2.699 1.00 70.11 H new ATOM 0 HB2 GLN A 93 -7.968 14.493 -2.962 1.00 71.30 H new ATOM 0 HB3 GLN A 93 -7.645 16.059 -2.243 1.00 71.30 H new ATOM 0 HG2 GLN A 93 -7.035 14.266 -0.700 1.00 55.34 H new ATOM 0 HG3 GLN A 93 -8.342 15.227 -0.037 1.00 55.34 H new ATOM 0 HE21 GLN A 93 -8.128 12.474 -2.362 1.00 74.21 H new ATOM 0 HE22 GLN A 93 -9.315 11.463 -1.530 1.00 74.21 H new ATOM 1091 N GLY A 94 -10.151 17.549 -1.061 1.00 70.22 N ATOM 1092 CA GLY A 94 -10.677 18.255 0.092 1.00 34.12 C ATOM 1093 C GLY A 94 -11.374 19.547 -0.287 1.00 22.20 C ATOM 1094 O GLY A 94 -10.953 20.630 0.120 1.00 24.21 O ATOM 0 H GLY A 94 -9.650 18.134 -1.730 1.00 70.22 H new ATOM 0 HA2 GLY A 94 -11.378 17.609 0.621 1.00 34.12 H new ATOM 0 HA3 GLY A 94 -9.863 18.474 0.782 1.00 34.12 H new ATOM 1098 N TYR A 95 -12.441 19.434 -1.070 1.00 30.14 N ATOM 1099 CA TYR A 95 -13.195 20.603 -1.507 1.00 61.44 C ATOM 1100 C TYR A 95 -14.688 20.411 -1.262 1.00 14.03 C ATOM 1101 O TYR A 95 -15.255 19.349 -1.520 1.00 71.01 O ATOM 1102 CB TYR A 95 -12.941 20.873 -2.992 1.00 33.55 C ATOM 1103 CG TYR A 95 -13.744 22.030 -3.542 1.00 62.32 C ATOM 1104 CD1 TYR A 95 -15.057 21.854 -3.960 1.00 31.21 C ATOM 1105 CD2 TYR A 95 -13.189 23.299 -3.644 1.00 5.41 C ATOM 1106 CE1 TYR A 95 -15.793 22.908 -4.464 1.00 55.14 C ATOM 1107 CE2 TYR A 95 -13.918 24.360 -4.146 1.00 20.13 C ATOM 1108 CZ TYR A 95 -15.220 24.159 -4.555 1.00 43.11 C ATOM 1109 OH TYR A 95 -15.950 25.212 -5.056 1.00 14.23 O ATOM 0 H TYR A 95 -12.803 18.545 -1.415 1.00 30.14 H new ATOM 0 HA TYR A 95 -12.857 21.460 -0.925 1.00 61.44 H new ATOM 0 HB2 TYR A 95 -11.880 21.075 -3.140 1.00 33.55 H new ATOM 0 HB3 TYR A 95 -13.177 19.974 -3.562 1.00 33.55 H new ATOM 0 HD1 TYR A 95 -15.510 20.876 -3.890 1.00 31.21 H new ATOM 0 HD2 TYR A 95 -12.170 23.459 -3.325 1.00 5.41 H new ATOM 0 HE1 TYR A 95 -16.812 22.753 -4.785 1.00 55.14 H new ATOM 0 HE2 TYR A 95 -13.471 25.341 -4.218 1.00 20.13 H new ATOM 0 HH TYR A 95 -15.400 26.023 -5.051 1.00 14.23 H new ATOM 1119 N PRO A 96 -15.343 21.464 -0.751 1.00 3.44 N ATOM 1120 CA PRO A 96 -16.779 21.439 -0.459 1.00 71.23 C ATOM 1121 C PRO A 96 -17.627 21.403 -1.726 1.00 60.32 C ATOM 1122 O PRO A 96 -17.776 22.412 -2.415 1.00 4.52 O ATOM 1123 CB PRO A 96 -17.010 22.747 0.302 1.00 72.24 C ATOM 1124 CG PRO A 96 -15.916 23.649 -0.155 1.00 20.11 C ATOM 1125 CD PRO A 96 -14.731 22.762 -0.418 1.00 63.21 C ATOM 0 HA PRO A 96 -17.066 20.549 0.101 1.00 71.23 H new ATOM 0 HB2 PRO A 96 -17.990 23.168 0.077 1.00 72.24 H new ATOM 0 HB3 PRO A 96 -16.970 22.590 1.380 1.00 72.24 H new ATOM 0 HG2 PRO A 96 -16.207 24.189 -1.056 1.00 20.11 H new ATOM 0 HG3 PRO A 96 -15.684 24.396 0.604 1.00 20.11 H new ATOM 0 HD2 PRO A 96 -14.120 23.140 -1.238 1.00 63.21 H new ATOM 0 HD3 PRO A 96 -14.083 22.688 0.455 1.00 63.21 H new ATOM 1133 N PHE A 97 -18.182 20.233 -2.028 1.00 44.53 N ATOM 1134 CA PHE A 97 -19.015 20.066 -3.213 1.00 63.14 C ATOM 1135 C PHE A 97 -20.296 19.310 -2.875 1.00 32.00 C ATOM 1136 O PHE A 97 -20.312 18.466 -1.979 1.00 53.14 O ATOM 1137 CB PHE A 97 -18.243 19.321 -4.304 1.00 63.14 C ATOM 1138 CG PHE A 97 -19.078 18.985 -5.507 1.00 2.12 C ATOM 1139 CD1 PHE A 97 -19.580 19.988 -6.320 1.00 43.12 C ATOM 1140 CD2 PHE A 97 -19.361 17.666 -5.823 1.00 53.33 C ATOM 1141 CE1 PHE A 97 -20.348 19.683 -7.428 1.00 33.43 C ATOM 1142 CE2 PHE A 97 -20.129 17.355 -6.930 1.00 21.44 C ATOM 1143 CZ PHE A 97 -20.624 18.364 -7.732 1.00 60.00 C ATOM 0 H PHE A 97 -18.070 19.388 -1.469 1.00 44.53 H new ATOM 0 HA PHE A 97 -19.284 21.057 -3.580 1.00 63.14 H new ATOM 0 HB2 PHE A 97 -17.396 19.930 -4.619 1.00 63.14 H new ATOM 0 HB3 PHE A 97 -17.836 18.400 -3.886 1.00 63.14 H new ATOM 0 HD1 PHE A 97 -19.369 21.021 -6.085 1.00 43.12 H new ATOM 0 HD2 PHE A 97 -18.978 16.873 -5.198 1.00 53.33 H new ATOM 0 HE1 PHE A 97 -20.732 20.474 -8.055 1.00 33.43 H new ATOM 0 HE2 PHE A 97 -20.342 16.323 -7.167 1.00 21.44 H new ATOM 0 HZ PHE A 97 -21.226 18.122 -8.596 1.00 60.00 H new ATOM 1153 N GLN A 98 -21.368 19.620 -3.598 1.00 4.22 N ATOM 1154 CA GLN A 98 -22.654 18.971 -3.373 1.00 41.34 C ATOM 1155 C GLN A 98 -23.106 19.144 -1.927 1.00 41.41 C ATOM 1156 O GLN A 98 -23.879 18.341 -1.408 1.00 15.14 O ATOM 1157 CB GLN A 98 -22.566 17.484 -3.718 1.00 25.40 C ATOM 1158 CG GLN A 98 -23.531 17.054 -4.811 1.00 22.11 C ATOM 1159 CD GLN A 98 -24.939 17.567 -4.581 1.00 44.22 C ATOM 1160 OE1 GLN A 98 -25.617 17.153 -3.640 1.00 42.54 O ATOM 1161 NE2 GLN A 98 -25.386 18.474 -5.442 1.00 11.13 N ATOM 0 H GLN A 98 -21.371 20.316 -4.344 1.00 4.22 H new ATOM 0 HA GLN A 98 -23.390 19.444 -4.023 1.00 41.34 H new ATOM 0 HB2 GLN A 98 -21.548 17.252 -4.032 1.00 25.40 H new ATOM 0 HB3 GLN A 98 -22.764 16.899 -2.820 1.00 25.40 H new ATOM 0 HG2 GLN A 98 -23.169 17.416 -5.773 1.00 22.11 H new ATOM 0 HG3 GLN A 98 -23.549 15.966 -4.867 1.00 22.11 H new ATOM 0 HE21 GLN A 98 -24.789 18.788 -6.207 1.00 11.13 H new ATOM 0 HE22 GLN A 98 -26.326 18.856 -5.338 1.00 11.13 H new ATOM 1170 N GLY A 99 -22.617 20.199 -1.281 1.00 70.04 N ATOM 1171 CA GLY A 99 -22.982 20.458 0.099 1.00 24.13 C ATOM 1172 C GLY A 99 -21.776 20.743 0.973 1.00 14.04 C ATOM 1173 O GLY A 99 -21.671 21.816 1.566 1.00 32.10 O ATOM 0 H GLY A 99 -21.975 20.878 -1.689 1.00 70.04 H new ATOM 0 HA2 GLY A 99 -23.664 21.307 0.138 1.00 24.13 H new ATOM 0 HA3 GLY A 99 -23.520 19.598 0.497 1.00 24.13 H new ATOM 1177 N ASN A 100 -20.865 19.779 1.055 1.00 33.12 N ATOM 1178 CA ASN A 100 -19.662 19.931 1.866 1.00 73.24 C ATOM 1179 C ASN A 100 -18.794 18.679 1.790 1.00 22.21 C ATOM 1180 O ASN A 100 -17.646 18.715 1.347 1.00 4.43 O ATOM 1181 CB ASN A 100 -20.036 20.219 3.321 1.00 2.00 C ATOM 1182 CG ASN A 100 -19.760 21.657 3.715 1.00 44.21 C ATOM 1183 OD1 ASN A 100 -20.682 22.426 3.986 1.00 40.45 O ATOM 1184 ND2 ASN A 100 -18.485 22.027 3.748 1.00 24.25 N ATOM 0 H ASN A 100 -20.937 18.884 0.570 1.00 33.12 H new ATOM 0 HA ASN A 100 -19.091 20.772 1.472 1.00 73.24 H new ATOM 0 HB2 ASN A 100 -21.093 20.000 3.472 1.00 2.00 H new ATOM 0 HB3 ASN A 100 -19.476 19.552 3.976 1.00 2.00 H new ATOM 0 HD21 ASN A 100 -18.238 22.982 4.006 1.00 24.25 H new ATOM 0 HD22 ASN A 100 -17.753 21.356 3.516 1.00 24.25 H new ATOM 1191 N PRO A 101 -19.354 17.543 2.232 1.00 64.20 N ATOM 1192 CA PRO A 101 -18.649 16.258 2.224 1.00 63.52 C ATOM 1193 C PRO A 101 -18.439 15.720 0.812 1.00 10.32 C ATOM 1194 O PRO A 101 -19.380 15.256 0.167 1.00 13.13 O ATOM 1195 CB PRO A 101 -19.582 15.336 3.013 1.00 2.25 C ATOM 1196 CG PRO A 101 -20.934 15.940 2.853 1.00 35.45 C ATOM 1197 CD PRO A 101 -20.718 17.426 2.773 1.00 31.51 C ATOM 0 HA PRO A 101 -17.649 16.340 2.649 1.00 63.52 H new ATOM 0 HB2 PRO A 101 -19.554 14.318 2.624 1.00 2.25 H new ATOM 0 HB3 PRO A 101 -19.293 15.284 4.063 1.00 2.25 H new ATOM 0 HG2 PRO A 101 -21.423 15.568 1.953 1.00 35.45 H new ATOM 0 HG3 PRO A 101 -21.578 15.684 3.695 1.00 35.45 H new ATOM 0 HD2 PRO A 101 -21.451 17.904 2.123 1.00 31.51 H new ATOM 0 HD3 PRO A 101 -20.804 17.898 3.752 1.00 31.51 H new ATOM 1205 N LEU A 102 -17.200 15.786 0.337 1.00 31.34 N ATOM 1206 CA LEU A 102 -16.866 15.305 -0.999 1.00 35.11 C ATOM 1207 C LEU A 102 -15.660 14.372 -0.957 1.00 12.43 C ATOM 1208 O LEU A 102 -14.581 14.756 -0.506 1.00 42.41 O ATOM 1209 CB LEU A 102 -16.581 16.484 -1.930 1.00 54.43 C ATOM 1210 CG LEU A 102 -15.991 16.133 -3.297 1.00 13.35 C ATOM 1211 CD1 LEU A 102 -17.040 15.472 -4.177 1.00 31.31 C ATOM 1212 CD2 LEU A 102 -15.433 17.377 -3.972 1.00 52.50 C ATOM 0 H LEU A 102 -16.410 16.168 0.857 1.00 31.34 H new ATOM 0 HA LEU A 102 -17.720 14.746 -1.381 1.00 35.11 H new ATOM 0 HB2 LEU A 102 -17.511 17.030 -2.087 1.00 54.43 H new ATOM 0 HB3 LEU A 102 -15.895 17.163 -1.424 1.00 54.43 H new ATOM 0 HG LEU A 102 -15.174 15.427 -3.148 1.00 13.35 H new ATOM 0 HD11 LEU A 102 -16.602 15.229 -5.145 1.00 31.31 H new ATOM 0 HD12 LEU A 102 -17.392 14.558 -3.699 1.00 31.31 H new ATOM 0 HD13 LEU A 102 -17.878 16.154 -4.319 1.00 31.31 H new ATOM 0 HD21 LEU A 102 -15.017 17.109 -4.943 1.00 52.50 H new ATOM 0 HD22 LEU A 102 -16.232 18.106 -4.108 1.00 52.50 H new ATOM 0 HD23 LEU A 102 -14.650 17.809 -3.349 1.00 52.50 H new ATOM 1224 N VAL A 103 -15.850 13.145 -1.431 1.00 53.32 N ATOM 1225 CA VAL A 103 -14.777 12.158 -1.451 1.00 11.51 C ATOM 1226 C VAL A 103 -14.475 11.703 -2.874 1.00 54.12 C ATOM 1227 O VAL A 103 -15.387 11.442 -3.659 1.00 73.14 O ATOM 1228 CB VAL A 103 -15.130 10.928 -0.594 1.00 11.31 C ATOM 1229 CG1 VAL A 103 -16.272 10.147 -1.226 1.00 64.31 C ATOM 1230 CG2 VAL A 103 -13.908 10.043 -0.404 1.00 44.04 C ATOM 0 H VAL A 103 -16.737 12.811 -1.806 1.00 53.32 H new ATOM 0 HA VAL A 103 -13.894 12.642 -1.033 1.00 11.51 H new ATOM 0 HB VAL A 103 -15.457 11.272 0.387 1.00 11.31 H new ATOM 0 HG11 VAL A 103 -16.508 9.282 -0.607 1.00 64.31 H new ATOM 0 HG12 VAL A 103 -17.151 10.787 -1.305 1.00 64.31 H new ATOM 0 HG13 VAL A 103 -15.977 9.812 -2.220 1.00 64.31 H new ATOM 0 HG21 VAL A 103 -14.176 9.179 0.204 1.00 44.04 H new ATOM 0 HG22 VAL A 103 -13.548 9.706 -1.376 1.00 44.04 H new ATOM 0 HG23 VAL A 103 -13.123 10.609 0.097 1.00 44.04 H new ATOM 1240 N ILE A 104 -13.191 11.610 -3.200 1.00 24.43 N ATOM 1241 CA ILE A 104 -12.769 11.184 -4.528 1.00 62.04 C ATOM 1242 C ILE A 104 -11.625 10.178 -4.446 1.00 53.53 C ATOM 1243 O ILE A 104 -10.594 10.442 -3.826 1.00 54.12 O ATOM 1244 CB ILE A 104 -12.324 12.382 -5.388 1.00 65.43 C ATOM 1245 CG1 ILE A 104 -11.790 13.506 -4.498 1.00 52.13 C ATOM 1246 CG2 ILE A 104 -13.480 12.879 -6.243 1.00 64.54 C ATOM 1247 CD1 ILE A 104 -12.868 14.438 -3.991 1.00 33.01 C ATOM 0 H ILE A 104 -12.424 11.824 -2.562 1.00 24.43 H new ATOM 0 HA ILE A 104 -13.632 10.711 -4.997 1.00 62.04 H new ATOM 0 HB ILE A 104 -11.522 12.057 -6.051 1.00 65.43 H new ATOM 0 HG12 ILE A 104 -11.269 13.068 -3.646 1.00 52.13 H new ATOM 0 HG13 ILE A 104 -11.055 14.084 -5.058 1.00 52.13 H new ATOM 0 HG21 ILE A 104 -13.150 13.726 -6.845 1.00 64.54 H new ATOM 0 HG22 ILE A 104 -13.818 12.077 -6.899 1.00 64.54 H new ATOM 0 HG23 ILE A 104 -14.302 13.191 -5.598 1.00 64.54 H new ATOM 0 HD11 ILE A 104 -12.418 15.210 -3.367 1.00 33.01 H new ATOM 0 HD12 ILE A 104 -13.373 14.904 -4.837 1.00 33.01 H new ATOM 0 HD13 ILE A 104 -13.591 13.872 -3.403 1.00 33.01 H new ATOM 1259 N THR A 105 -11.813 9.024 -5.078 1.00 32.21 N ATOM 1260 CA THR A 105 -10.798 7.978 -5.077 1.00 41.34 C ATOM 1261 C THR A 105 -10.785 7.224 -6.402 1.00 44.11 C ATOM 1262 O THR A 105 -11.657 7.420 -7.248 1.00 41.45 O ATOM 1263 CB THR A 105 -11.025 6.975 -3.931 1.00 11.12 C ATOM 1264 OG1 THR A 105 -12.321 6.377 -4.053 1.00 5.14 O ATOM 1265 CG2 THR A 105 -10.903 7.662 -2.579 1.00 30.31 C ATOM 0 H THR A 105 -12.659 8.790 -5.597 1.00 32.21 H new ATOM 0 HA THR A 105 -9.837 8.471 -4.933 1.00 41.34 H new ATOM 0 HB THR A 105 -10.260 6.201 -3.998 1.00 11.12 H new ATOM 0 HG1 THR A 105 -12.844 6.863 -4.725 1.00 5.14 H new ATOM 0 HG21 THR A 105 -11.067 6.934 -1.785 1.00 30.31 H new ATOM 0 HG22 THR A 105 -9.906 8.091 -2.478 1.00 30.31 H new ATOM 0 HG23 THR A 105 -11.648 8.454 -2.505 1.00 30.31 H new ATOM 1273 N PHE A 106 -9.790 6.360 -6.576 1.00 31.13 N ATOM 1274 CA PHE A 106 -9.663 5.576 -7.799 1.00 34.24 C ATOM 1275 C PHE A 106 -10.450 4.272 -7.693 1.00 1.50 C ATOM 1276 O PHE A 106 -11.065 3.988 -6.665 1.00 61.44 O ATOM 1277 CB PHE A 106 -8.191 5.274 -8.086 1.00 51.20 C ATOM 1278 CG PHE A 106 -7.313 6.493 -8.059 1.00 32.45 C ATOM 1279 CD1 PHE A 106 -6.718 6.907 -6.878 1.00 41.42 C ATOM 1280 CD2 PHE A 106 -7.084 7.223 -9.213 1.00 44.42 C ATOM 1281 CE1 PHE A 106 -5.909 8.028 -6.849 1.00 72.05 C ATOM 1282 CE2 PHE A 106 -6.276 8.344 -9.191 1.00 5.43 C ATOM 1283 CZ PHE A 106 -5.689 8.748 -8.007 1.00 64.12 C ATOM 0 H PHE A 106 -9.060 6.185 -5.885 1.00 31.13 H new ATOM 0 HA PHE A 106 -10.073 6.162 -8.621 1.00 34.24 H new ATOM 0 HB2 PHE A 106 -7.826 4.556 -7.351 1.00 51.20 H new ATOM 0 HB3 PHE A 106 -8.110 4.799 -9.064 1.00 51.20 H new ATOM 0 HD1 PHE A 106 -6.888 6.348 -5.970 1.00 41.42 H new ATOM 0 HD2 PHE A 106 -7.542 6.913 -10.141 1.00 44.42 H new ATOM 0 HE1 PHE A 106 -5.450 8.340 -5.923 1.00 72.05 H new ATOM 0 HE2 PHE A 106 -6.103 8.904 -10.098 1.00 5.43 H new ATOM 0 HZ PHE A 106 -5.059 9.625 -7.987 1.00 64.12 H new