USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=13 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 Single : A 30 GLN : amide:sc= -2.17! K(o=-2.2!,f=-2.9) USER MOD Single : A 35 THR OG1 : rot -80:sc= -0.722 USER MOD Single : A 36 ASN : amide:sc= -0.152 K(o=-0.15,f=-0.76) USER MOD Single : A 38 ASN : amide:sc=-0.00175 X(o=-0.0018,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 GLN : amide:sc= -0.186 K(o=-0.19,f=-1.3) 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 :FLIP amide:sc= -1.46 F(o=-3.6,f=-1.5) USER MOD Single : A 68 SER OG : rot -67:sc= 0.184 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 82 GLN : amide:sc= -0.208 K(o=-0.21,f=-1.5!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.519 USER MOD Single : A 86 GLN : amide:sc= -0.849 K(o=-0.85,f=-1.4) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN :FLIP amide:sc= -1.08 F(o=-2.2,f=-1.1) USER MOD Single : A 100 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.91) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 114 N GLN A 30 -8.991 4.432 -16.999 1.00 2.14 N ATOM 115 CA GLN A 30 -9.418 5.739 -17.484 1.00 71.25 C ATOM 116 C GLN A 30 -10.781 6.113 -16.912 1.00 54.13 C ATOM 117 O GLN A 30 -11.481 6.968 -17.456 1.00 70.31 O ATOM 118 CB GLN A 30 -9.474 5.745 -19.013 1.00 73.41 C ATOM 119 CG GLN A 30 -8.270 5.088 -19.669 1.00 32.24 C ATOM 120 CD GLN A 30 -8.186 5.375 -21.155 1.00 2.13 C ATOM 121 OE1 GLN A 30 -9.093 5.972 -21.736 1.00 4.01 O ATOM 122 NE2 GLN A 30 -7.093 4.951 -21.779 1.00 32.22 N ATOM 0 HA GLN A 30 -8.690 6.478 -17.151 1.00 71.25 H new ATOM 0 HB2 GLN A 30 -10.379 5.231 -19.337 1.00 73.41 H new ATOM 0 HB3 GLN A 30 -9.550 6.775 -19.361 1.00 73.41 H new ATOM 0 HG2 GLN A 30 -7.360 5.439 -19.183 1.00 32.24 H new ATOM 0 HG3 GLN A 30 -8.319 4.010 -19.513 1.00 32.24 H new ATOM 0 HE21 GLN A 30 -6.366 4.460 -21.258 1.00 32.22 H new ATOM 0 HE22 GLN A 30 -6.980 5.116 -22.779 1.00 32.22 H new ATOM 131 N VAL A 31 -11.153 5.467 -15.812 1.00 14.24 N ATOM 132 CA VAL A 31 -12.433 5.733 -15.165 1.00 61.30 C ATOM 133 C VAL A 31 -12.282 5.786 -13.649 1.00 2.51 C ATOM 134 O VAL A 31 -11.525 5.013 -13.062 1.00 32.03 O ATOM 135 CB VAL A 31 -13.478 4.661 -15.528 1.00 53.30 C ATOM 136 CG1 VAL A 31 -13.624 4.547 -17.038 1.00 1.12 C ATOM 137 CG2 VAL A 31 -13.100 3.320 -14.918 1.00 11.24 C ATOM 0 H VAL A 31 -10.587 4.756 -15.350 1.00 14.24 H new ATOM 0 HA VAL A 31 -12.776 6.702 -15.527 1.00 61.30 H new ATOM 0 HB VAL A 31 -14.441 4.963 -15.116 1.00 53.30 H new ATOM 0 HG11 VAL A 31 -14.366 3.785 -17.275 1.00 1.12 H new ATOM 0 HG12 VAL A 31 -13.945 5.506 -17.446 1.00 1.12 H new ATOM 0 HG13 VAL A 31 -12.666 4.269 -17.476 1.00 1.12 H new ATOM 0 HG21 VAL A 31 -13.849 2.575 -15.185 1.00 11.24 H new ATOM 0 HG22 VAL A 31 -12.127 3.009 -15.298 1.00 11.24 H new ATOM 0 HG23 VAL A 31 -13.052 3.414 -13.833 1.00 11.24 H new ATOM 147 N VAL A 32 -13.008 6.705 -13.020 1.00 5.34 N ATOM 148 CA VAL A 32 -12.956 6.860 -11.571 1.00 21.43 C ATOM 149 C VAL A 32 -14.326 6.626 -10.944 1.00 1.00 C ATOM 150 O VAL A 32 -15.349 7.043 -11.489 1.00 32.45 O ATOM 151 CB VAL A 32 -12.454 8.260 -11.173 1.00 43.40 C ATOM 152 CG1 VAL A 32 -11.162 8.592 -11.904 1.00 25.12 C ATOM 153 CG2 VAL A 32 -13.520 9.308 -11.456 1.00 3.23 C ATOM 0 H VAL A 32 -13.639 7.353 -13.491 1.00 5.34 H new ATOM 0 HA VAL A 32 -12.256 6.112 -11.198 1.00 21.43 H new ATOM 0 HB VAL A 32 -12.249 8.263 -10.102 1.00 43.40 H new ATOM 0 HG11 VAL A 32 -10.822 9.585 -11.610 1.00 25.12 H new ATOM 0 HG12 VAL A 32 -10.399 7.857 -11.647 1.00 25.12 H new ATOM 0 HG13 VAL A 32 -11.337 8.572 -12.980 1.00 25.12 H new ATOM 0 HG21 VAL A 32 -13.148 10.292 -11.169 1.00 3.23 H new ATOM 0 HG22 VAL A 32 -13.758 9.307 -12.520 1.00 3.23 H new ATOM 0 HG23 VAL A 32 -14.418 9.078 -10.883 1.00 3.23 H new ATOM 163 N LEU A 33 -14.339 5.958 -9.796 1.00 22.21 N ATOM 164 CA LEU A 33 -15.584 5.669 -9.093 1.00 60.40 C ATOM 165 C LEU A 33 -15.719 6.536 -7.845 1.00 70.43 C ATOM 166 O LEU A 33 -14.883 6.477 -6.943 1.00 63.24 O ATOM 167 CB LEU A 33 -15.644 4.189 -8.709 1.00 1.11 C ATOM 168 CG LEU A 33 -16.483 3.849 -7.476 1.00 45.22 C ATOM 169 CD1 LEU A 33 -17.908 4.352 -7.645 1.00 61.32 C ATOM 170 CD2 LEU A 33 -16.471 2.349 -7.220 1.00 44.23 C ATOM 0 H LEU A 33 -13.501 5.606 -9.332 1.00 22.21 H new ATOM 0 HA LEU A 33 -16.413 5.898 -9.763 1.00 60.40 H new ATOM 0 HB2 LEU A 33 -16.038 3.630 -9.557 1.00 1.11 H new ATOM 0 HB3 LEU A 33 -14.627 3.837 -8.540 1.00 1.11 H new ATOM 0 HG LEU A 33 -16.044 4.348 -6.612 1.00 45.22 H new ATOM 0 HD11 LEU A 33 -18.490 4.101 -6.758 1.00 61.32 H new ATOM 0 HD12 LEU A 33 -17.899 5.434 -7.779 1.00 61.32 H new ATOM 0 HD13 LEU A 33 -18.358 3.882 -8.519 1.00 61.32 H new ATOM 0 HD21 LEU A 33 -17.073 2.125 -6.339 1.00 44.23 H new ATOM 0 HD22 LEU A 33 -16.885 1.829 -8.084 1.00 44.23 H new ATOM 0 HD23 LEU A 33 -15.446 2.017 -7.053 1.00 44.23 H new ATOM 182 N ILE A 34 -16.778 7.337 -7.800 1.00 44.41 N ATOM 183 CA ILE A 34 -17.023 8.214 -6.661 1.00 75.55 C ATOM 184 C ILE A 34 -18.197 7.713 -5.826 1.00 41.00 C ATOM 185 O ILE A 34 -19.144 7.127 -6.352 1.00 41.43 O ATOM 186 CB ILE A 34 -17.309 9.658 -7.114 1.00 30.22 C ATOM 187 CG1 ILE A 34 -18.537 9.696 -8.025 1.00 54.52 C ATOM 188 CG2 ILE A 34 -16.096 10.240 -7.825 1.00 34.50 C ATOM 189 CD1 ILE A 34 -18.196 9.790 -9.496 1.00 21.01 C ATOM 0 H ILE A 34 -17.480 7.397 -8.538 1.00 44.41 H new ATOM 0 HA ILE A 34 -16.118 8.205 -6.054 1.00 75.55 H new ATOM 0 HB ILE A 34 -17.515 10.266 -6.233 1.00 30.22 H new ATOM 0 HG12 ILE A 34 -19.133 8.799 -7.855 1.00 54.52 H new ATOM 0 HG13 ILE A 34 -19.158 10.548 -7.749 1.00 54.52 H new ATOM 0 HG21 ILE A 34 -16.314 11.261 -8.139 1.00 34.50 H new ATOM 0 HG22 ILE A 34 -15.243 10.243 -7.146 1.00 34.50 H new ATOM 0 HG23 ILE A 34 -15.861 9.633 -8.700 1.00 34.50 H new ATOM 0 HD11 ILE A 34 -19.115 9.813 -10.082 1.00 21.01 H new ATOM 0 HD12 ILE A 34 -17.626 10.701 -9.680 1.00 21.01 H new ATOM 0 HD13 ILE A 34 -17.601 8.924 -9.788 1.00 21.01 H new ATOM 201 N THR A 35 -18.129 7.949 -4.519 1.00 73.14 N ATOM 202 CA THR A 35 -19.186 7.523 -3.610 1.00 42.02 C ATOM 203 C THR A 35 -19.366 8.520 -2.471 1.00 53.35 C ATOM 204 O THR A 35 -18.738 9.578 -2.455 1.00 21.33 O ATOM 205 CB THR A 35 -18.890 6.132 -3.018 1.00 11.35 C ATOM 206 OG1 THR A 35 -17.724 6.191 -2.189 1.00 63.20 O ATOM 207 CG2 THR A 35 -18.683 5.106 -4.122 1.00 13.45 C ATOM 0 H THR A 35 -17.353 8.433 -4.067 1.00 73.14 H new ATOM 0 HA THR A 35 -20.105 7.473 -4.194 1.00 42.02 H new ATOM 0 HB THR A 35 -19.747 5.827 -2.418 1.00 11.35 H new ATOM 0 HG1 THR A 35 -16.921 6.164 -2.751 1.00 63.20 H new ATOM 0 HG21 THR A 35 -18.475 4.132 -3.679 1.00 13.45 H new ATOM 0 HG22 THR A 35 -19.583 5.042 -4.733 1.00 13.45 H new ATOM 0 HG23 THR A 35 -17.842 5.408 -4.746 1.00 13.45 H new ATOM 215 N ASN A 36 -20.229 8.176 -1.520 1.00 65.25 N ATOM 216 CA ASN A 36 -20.491 9.042 -0.377 1.00 34.11 C ATOM 217 C ASN A 36 -21.138 10.350 -0.822 1.00 72.15 C ATOM 218 O ASN A 36 -21.047 11.366 -0.133 1.00 24.24 O ATOM 219 CB ASN A 36 -19.193 9.333 0.378 1.00 43.33 C ATOM 220 CG ASN A 36 -19.285 8.974 1.848 1.00 34.11 C ATOM 221 OD1 ASN A 36 -20.356 9.050 2.451 1.00 72.32 O ATOM 222 ND2 ASN A 36 -18.160 8.580 2.433 1.00 41.22 N ATOM 0 H ASN A 36 -20.758 7.304 -1.519 1.00 65.25 H new ATOM 0 HA ASN A 36 -21.182 8.524 0.288 1.00 34.11 H new ATOM 0 HB2 ASN A 36 -18.377 8.773 -0.079 1.00 43.33 H new ATOM 0 HB3 ASN A 36 -18.948 10.391 0.280 1.00 43.33 H new ATOM 0 HD21 ASN A 36 -18.161 8.325 3.421 1.00 41.22 H new ATOM 0 HD22 ASN A 36 -17.295 8.532 1.895 1.00 41.22 H new ATOM 229 N ILE A 37 -21.792 10.316 -1.979 1.00 1.42 N ATOM 230 CA ILE A 37 -22.455 11.498 -2.515 1.00 53.22 C ATOM 231 C ILE A 37 -23.913 11.559 -2.072 1.00 73.35 C ATOM 232 O ILE A 37 -24.616 10.549 -2.077 1.00 11.13 O ATOM 233 CB ILE A 37 -22.396 11.527 -4.054 1.00 11.51 C ATOM 234 CG1 ILE A 37 -22.945 10.222 -4.632 1.00 31.50 C ATOM 235 CG2 ILE A 37 -20.969 11.763 -4.525 1.00 24.34 C ATOM 236 CD1 ILE A 37 -23.097 10.244 -6.137 1.00 23.51 C ATOM 0 H ILE A 37 -21.877 9.483 -2.562 1.00 1.42 H new ATOM 0 HA ILE A 37 -21.922 12.364 -2.123 1.00 53.22 H new ATOM 0 HB ILE A 37 -23.016 12.349 -4.411 1.00 11.51 H new ATOM 0 HG12 ILE A 37 -22.281 9.403 -4.354 1.00 31.50 H new ATOM 0 HG13 ILE A 37 -23.915 10.014 -4.180 1.00 31.50 H new ATOM 0 HG21 ILE A 37 -20.944 11.781 -5.615 1.00 24.34 H new ATOM 0 HG22 ILE A 37 -20.611 12.717 -4.138 1.00 24.34 H new ATOM 0 HG23 ILE A 37 -20.328 10.960 -4.160 1.00 24.34 H new ATOM 0 HD11 ILE A 37 -23.491 9.286 -6.477 1.00 23.51 H new ATOM 0 HD12 ILE A 37 -23.784 11.041 -6.422 1.00 23.51 H new ATOM 0 HD13 ILE A 37 -22.125 10.421 -6.598 1.00 23.51 H new ATOM 248 N ASN A 38 -24.362 12.751 -1.692 1.00 64.24 N ATOM 249 CA ASN A 38 -25.737 12.944 -1.248 1.00 32.11 C ATOM 250 C ASN A 38 -26.699 12.928 -2.432 1.00 61.41 C ATOM 251 O ASN A 38 -26.592 13.728 -3.361 1.00 55.43 O ATOM 252 CB ASN A 38 -25.869 14.265 -0.488 1.00 2.31 C ATOM 253 CG ASN A 38 -26.334 14.066 0.942 1.00 41.13 C ATOM 254 OD1 ASN A 38 -25.523 13.991 1.865 1.00 33.52 O ATOM 255 ND2 ASN A 38 -27.646 13.980 1.130 1.00 24.24 N ATOM 0 H ASN A 38 -23.793 13.598 -1.683 1.00 64.24 H new ATOM 0 HA ASN A 38 -25.995 12.121 -0.581 1.00 32.11 H new ATOM 0 HB2 ASN A 38 -24.907 14.778 -0.486 1.00 2.31 H new ATOM 0 HB3 ASN A 38 -26.574 14.912 -1.010 1.00 2.31 H new ATOM 0 HD21 ASN A 38 -28.019 13.846 2.070 1.00 24.24 H new ATOM 0 HD22 ASN A 38 -28.281 14.048 0.334 1.00 24.24 H new ATOM 262 N PRO A 39 -27.662 11.994 -2.400 1.00 3.24 N ATOM 263 CA PRO A 39 -28.662 11.851 -3.462 1.00 1.43 C ATOM 264 C PRO A 39 -29.651 13.011 -3.486 1.00 13.51 C ATOM 265 O PRO A 39 -30.481 13.112 -4.389 1.00 40.01 O ATOM 266 CB PRO A 39 -29.377 10.546 -3.103 1.00 3.44 C ATOM 267 CG PRO A 39 -29.192 10.406 -1.631 1.00 63.41 C ATOM 268 CD PRO A 39 -27.848 11.007 -1.323 1.00 72.23 C ATOM 0 HA PRO A 39 -28.207 11.845 -4.452 1.00 1.43 H new ATOM 0 HB2 PRO A 39 -30.434 10.588 -3.367 1.00 3.44 H new ATOM 0 HB3 PRO A 39 -28.948 9.699 -3.638 1.00 3.44 H new ATOM 0 HG2 PRO A 39 -29.984 10.922 -1.087 1.00 63.41 H new ATOM 0 HG3 PRO A 39 -29.229 9.359 -1.331 1.00 63.41 H new ATOM 0 HD2 PRO A 39 -27.834 11.477 -0.340 1.00 72.23 H new ATOM 0 HD3 PRO A 39 -27.060 10.254 -1.328 1.00 72.23 H new ATOM 276 N GLU A 40 -29.557 13.885 -2.488 1.00 61.12 N ATOM 277 CA GLU A 40 -30.445 15.038 -2.396 1.00 70.25 C ATOM 278 C GLU A 40 -30.458 15.820 -3.707 1.00 34.13 C ATOM 279 O GLU A 40 -31.450 16.464 -4.048 1.00 74.03 O ATOM 280 CB GLU A 40 -30.013 15.952 -1.248 1.00 51.22 C ATOM 281 CG GLU A 40 -30.981 15.957 -0.077 1.00 23.33 C ATOM 282 CD GLU A 40 -31.121 17.326 0.559 1.00 51.43 C ATOM 283 OE1 GLU A 40 -31.632 18.244 -0.117 1.00 71.25 O ATOM 284 OE2 GLU A 40 -30.720 17.481 1.731 1.00 11.10 O ATOM 0 H GLU A 40 -28.875 13.816 -1.732 1.00 61.12 H new ATOM 0 HA GLU A 40 -31.453 14.674 -2.200 1.00 70.25 H new ATOM 0 HB2 GLU A 40 -29.031 15.638 -0.895 1.00 51.22 H new ATOM 0 HB3 GLU A 40 -29.907 16.969 -1.625 1.00 51.22 H new ATOM 0 HG2 GLU A 40 -31.959 15.617 -0.418 1.00 23.33 H new ATOM 0 HG3 GLU A 40 -30.640 15.245 0.674 1.00 23.33 H new ATOM 291 N VAL A 41 -29.349 15.759 -4.437 1.00 11.34 N ATOM 292 CA VAL A 41 -29.232 16.461 -5.709 1.00 71.34 C ATOM 293 C VAL A 41 -29.594 15.548 -6.875 1.00 64.54 C ATOM 294 O VAL A 41 -29.155 14.400 -6.957 1.00 3.10 O ATOM 295 CB VAL A 41 -27.807 17.006 -5.921 1.00 71.31 C ATOM 296 CG1 VAL A 41 -26.788 15.878 -5.851 1.00 13.41 C ATOM 297 CG2 VAL A 41 -27.710 17.741 -7.249 1.00 52.03 C ATOM 0 H VAL A 41 -28.519 15.230 -4.169 1.00 11.34 H new ATOM 0 HA VAL A 41 -29.931 17.297 -5.675 1.00 71.34 H new ATOM 0 HB VAL A 41 -27.585 17.714 -5.123 1.00 71.31 H new ATOM 0 HG11 VAL A 41 -25.787 16.282 -6.003 1.00 13.41 H new ATOM 0 HG12 VAL A 41 -26.842 15.399 -4.873 1.00 13.41 H new ATOM 0 HG13 VAL A 41 -27.004 15.143 -6.627 1.00 13.41 H new ATOM 0 HG21 VAL A 41 -26.696 18.119 -7.382 1.00 52.03 H new ATOM 0 HG22 VAL A 41 -27.952 17.057 -8.062 1.00 52.03 H new ATOM 0 HG23 VAL A 41 -28.412 18.575 -7.256 1.00 52.03 H new ATOM 307 N PRO A 42 -30.413 16.067 -7.802 1.00 33.35 N ATOM 308 CA PRO A 42 -30.852 15.315 -8.981 1.00 44.34 C ATOM 309 C PRO A 42 -29.718 15.082 -9.974 1.00 41.02 C ATOM 310 O PRO A 42 -28.893 15.965 -10.209 1.00 43.01 O ATOM 311 CB PRO A 42 -31.925 16.216 -9.597 1.00 42.33 C ATOM 312 CG PRO A 42 -31.576 17.590 -9.137 1.00 72.31 C ATOM 313 CD PRO A 42 -30.975 17.428 -7.768 1.00 61.44 C ATOM 0 HA PRO A 42 -31.211 14.319 -8.720 1.00 44.34 H new ATOM 0 HB2 PRO A 42 -31.921 16.150 -10.685 1.00 42.33 H new ATOM 0 HB3 PRO A 42 -32.922 15.928 -9.264 1.00 42.33 H new ATOM 0 HG2 PRO A 42 -30.870 18.063 -9.820 1.00 72.31 H new ATOM 0 HG3 PRO A 42 -32.460 18.226 -9.102 1.00 72.31 H new ATOM 0 HD2 PRO A 42 -30.206 18.176 -7.576 1.00 61.44 H new ATOM 0 HD3 PRO A 42 -31.725 17.534 -6.984 1.00 61.44 H new ATOM 321 N LYS A 43 -29.683 13.888 -10.555 1.00 71.34 N ATOM 322 CA LYS A 43 -28.652 13.538 -11.525 1.00 23.21 C ATOM 323 C LYS A 43 -28.482 14.644 -12.561 1.00 65.03 C ATOM 324 O LYS A 43 -27.377 14.889 -13.044 1.00 5.54 O ATOM 325 CB LYS A 43 -29.003 12.221 -12.222 1.00 12.35 C ATOM 326 CG LYS A 43 -28.182 11.956 -13.471 1.00 43.33 C ATOM 327 CD LYS A 43 -28.456 10.573 -14.036 1.00 73.31 C ATOM 328 CE LYS A 43 -27.884 10.419 -15.437 1.00 54.01 C ATOM 329 NZ LYS A 43 -28.195 9.084 -16.020 1.00 10.24 N ATOM 0 H LYS A 43 -30.358 13.145 -10.371 1.00 71.34 H new ATOM 0 HA LYS A 43 -27.710 13.418 -10.989 1.00 23.21 H new ATOM 0 HB2 LYS A 43 -28.858 11.399 -11.521 1.00 12.35 H new ATOM 0 HB3 LYS A 43 -30.060 12.231 -12.488 1.00 12.35 H new ATOM 0 HG2 LYS A 43 -28.411 12.710 -14.225 1.00 43.33 H new ATOM 0 HG3 LYS A 43 -27.122 12.051 -13.237 1.00 43.33 H new ATOM 0 HD2 LYS A 43 -28.022 9.818 -13.380 1.00 73.31 H new ATOM 0 HD3 LYS A 43 -29.531 10.395 -14.059 1.00 73.31 H new ATOM 0 HE2 LYS A 43 -28.288 11.200 -16.082 1.00 54.01 H new ATOM 0 HE3 LYS A 43 -26.803 10.559 -15.405 1.00 54.01 H new ATOM 0 HZ1 LYS A 43 -27.788 9.019 -16.975 1.00 10.24 H new ATOM 0 HZ2 LYS A 43 -27.788 8.339 -15.419 1.00 10.24 H new ATOM 0 HZ3 LYS A 43 -29.226 8.961 -16.074 1.00 10.24 H new ATOM 343 N GLU A 44 -29.583 15.309 -12.897 1.00 62.53 N ATOM 344 CA GLU A 44 -29.553 16.389 -13.876 1.00 74.11 C ATOM 345 C GLU A 44 -28.468 17.405 -13.533 1.00 25.31 C ATOM 346 O GLU A 44 -27.595 17.698 -14.350 1.00 44.01 O ATOM 347 CB GLU A 44 -30.915 17.084 -13.942 1.00 41.23 C ATOM 348 CG GLU A 44 -32.032 16.187 -14.448 1.00 52.54 C ATOM 349 CD GLU A 44 -32.549 16.611 -15.809 1.00 55.53 C ATOM 350 OE1 GLU A 44 -33.200 17.674 -15.891 1.00 51.51 O ATOM 351 OE2 GLU A 44 -32.304 15.881 -16.792 1.00 13.02 O ATOM 0 H GLU A 44 -30.506 15.119 -12.506 1.00 62.53 H new ATOM 0 HA GLU A 44 -29.326 15.956 -14.850 1.00 74.11 H new ATOM 0 HB2 GLU A 44 -31.176 17.449 -12.949 1.00 41.23 H new ATOM 0 HB3 GLU A 44 -30.838 17.956 -14.592 1.00 41.23 H new ATOM 0 HG2 GLU A 44 -31.671 15.160 -14.504 1.00 52.54 H new ATOM 0 HG3 GLU A 44 -32.854 16.197 -13.732 1.00 52.54 H new ATOM 358 N LYS A 45 -28.528 17.939 -12.318 1.00 14.11 N ATOM 359 CA LYS A 45 -27.551 18.922 -11.864 1.00 35.41 C ATOM 360 C LYS A 45 -26.295 18.236 -11.337 1.00 1.00 C ATOM 361 O LYS A 45 -25.176 18.664 -11.622 1.00 43.31 O ATOM 362 CB LYS A 45 -28.158 19.807 -10.773 1.00 5.40 C ATOM 363 CG LYS A 45 -29.472 20.454 -11.175 1.00 44.41 C ATOM 364 CD LYS A 45 -29.968 21.418 -10.110 1.00 45.22 C ATOM 365 CE LYS A 45 -30.211 20.709 -8.787 1.00 5.34 C ATOM 366 NZ LYS A 45 -31.610 20.889 -8.310 1.00 3.23 N ATOM 0 H LYS A 45 -29.244 17.707 -11.629 1.00 14.11 H new ATOM 0 HA LYS A 45 -27.274 19.544 -12.715 1.00 35.41 H new ATOM 0 HB2 LYS A 45 -28.317 19.207 -9.877 1.00 5.40 H new ATOM 0 HB3 LYS A 45 -27.444 20.587 -10.511 1.00 5.40 H new ATOM 0 HG2 LYS A 45 -29.343 20.986 -12.117 1.00 44.41 H new ATOM 0 HG3 LYS A 45 -30.222 19.681 -11.345 1.00 44.41 H new ATOM 0 HD2 LYS A 45 -29.237 22.214 -9.969 1.00 45.22 H new ATOM 0 HD3 LYS A 45 -30.891 21.890 -10.446 1.00 45.22 H new ATOM 0 HE2 LYS A 45 -30.000 19.646 -8.901 1.00 5.34 H new ATOM 0 HE3 LYS A 45 -29.519 21.093 -8.037 1.00 5.34 H new ATOM 0 HZ1 LYS A 45 -31.735 20.391 -7.406 1.00 3.23 H new ATOM 0 HZ2 LYS A 45 -31.804 21.902 -8.177 1.00 3.23 H new ATOM 0 HZ3 LYS A 45 -32.270 20.500 -9.014 1.00 3.23 H new ATOM 380 N LEU A 46 -26.487 17.169 -10.569 1.00 5.54 N ATOM 381 CA LEU A 46 -25.368 16.423 -10.003 1.00 0.11 C ATOM 382 C LEU A 46 -24.375 16.024 -11.090 1.00 21.55 C ATOM 383 O LEU A 46 -23.169 16.223 -10.945 1.00 32.03 O ATOM 384 CB LEU A 46 -25.876 15.176 -9.277 1.00 53.22 C ATOM 385 CG LEU A 46 -25.092 13.888 -9.527 1.00 23.34 C ATOM 386 CD1 LEU A 46 -23.679 14.008 -8.976 1.00 33.33 C ATOM 387 CD2 LEU A 46 -25.809 12.698 -8.906 1.00 21.21 C ATOM 0 H LEU A 46 -27.406 16.801 -10.324 1.00 5.54 H new ATOM 0 HA LEU A 46 -24.857 17.068 -9.289 1.00 0.11 H new ATOM 0 HB2 LEU A 46 -25.873 15.377 -8.206 1.00 53.22 H new ATOM 0 HB3 LEU A 46 -26.913 15.008 -9.567 1.00 53.22 H new ATOM 0 HG LEU A 46 -25.028 13.727 -10.603 1.00 23.34 H new ATOM 0 HD11 LEU A 46 -23.136 13.082 -9.163 1.00 33.33 H new ATOM 0 HD12 LEU A 46 -23.166 14.835 -9.467 1.00 33.33 H new ATOM 0 HD13 LEU A 46 -23.722 14.193 -7.903 1.00 33.33 H new ATOM 0 HD21 LEU A 46 -25.236 11.790 -9.094 1.00 21.21 H new ATOM 0 HD22 LEU A 46 -25.904 12.851 -7.831 1.00 21.21 H new ATOM 0 HD23 LEU A 46 -26.801 12.600 -9.348 1.00 21.21 H new ATOM 399 N GLN A 47 -24.891 15.461 -12.178 1.00 22.14 N ATOM 400 CA GLN A 47 -24.049 15.035 -13.289 1.00 43.12 C ATOM 401 C GLN A 47 -23.339 16.227 -13.922 1.00 52.45 C ATOM 402 O GLN A 47 -22.127 16.202 -14.130 1.00 64.34 O ATOM 403 CB GLN A 47 -24.887 14.307 -14.342 1.00 4.23 C ATOM 404 CG GLN A 47 -24.083 13.845 -15.546 1.00 63.32 C ATOM 405 CD GLN A 47 -24.747 14.199 -16.862 1.00 61.21 C ATOM 406 OE1 GLN A 47 -25.963 14.382 -16.927 1.00 61.25 O ATOM 407 NE2 GLN A 47 -23.950 14.298 -17.920 1.00 34.51 N ATOM 0 H GLN A 47 -25.887 15.290 -12.313 1.00 22.14 H new ATOM 0 HA GLN A 47 -23.295 14.351 -12.899 1.00 43.12 H new ATOM 0 HB2 GLN A 47 -25.364 13.442 -13.881 1.00 4.23 H new ATOM 0 HB3 GLN A 47 -25.685 14.968 -14.680 1.00 4.23 H new ATOM 0 HG2 GLN A 47 -23.091 14.296 -15.511 1.00 63.32 H new ATOM 0 HG3 GLN A 47 -23.944 12.765 -15.493 1.00 63.32 H new ATOM 0 HE21 GLN A 47 -22.948 14.138 -17.820 1.00 34.51 H new ATOM 0 HE22 GLN A 47 -24.340 14.534 -18.832 1.00 34.51 H new ATOM 416 N ALA A 48 -24.104 17.271 -14.227 1.00 63.02 N ATOM 417 CA ALA A 48 -23.548 18.473 -14.835 1.00 42.43 C ATOM 418 C ALA A 48 -22.445 19.068 -13.966 1.00 40.54 C ATOM 419 O ALA A 48 -21.495 19.667 -14.474 1.00 33.31 O ATOM 420 CB ALA A 48 -24.645 19.500 -15.075 1.00 34.44 C ATOM 0 H ALA A 48 -25.110 17.308 -14.063 1.00 63.02 H new ATOM 0 HA ALA A 48 -23.110 18.195 -15.794 1.00 42.43 H new ATOM 0 HB1 ALA A 48 -24.215 20.392 -15.529 1.00 34.44 H new ATOM 0 HB2 ALA A 48 -25.397 19.080 -15.742 1.00 34.44 H new ATOM 0 HB3 ALA A 48 -25.110 19.765 -14.125 1.00 34.44 H new ATOM 426 N LEU A 49 -22.577 18.902 -12.655 1.00 63.41 N ATOM 427 CA LEU A 49 -21.591 19.423 -11.715 1.00 1.23 C ATOM 428 C LEU A 49 -20.299 18.614 -11.775 1.00 53.11 C ATOM 429 O LEU A 49 -19.207 19.175 -11.872 1.00 62.35 O ATOM 430 CB LEU A 49 -22.153 19.402 -10.292 1.00 51.32 C ATOM 431 CG LEU A 49 -22.293 20.761 -9.606 1.00 12.52 C ATOM 432 CD1 LEU A 49 -20.981 21.527 -9.665 1.00 44.22 C ATOM 433 CD2 LEU A 49 -23.413 21.569 -10.245 1.00 53.03 C ATOM 0 H LEU A 49 -23.357 18.411 -12.219 1.00 63.41 H new ATOM 0 HA LEU A 49 -21.367 20.452 -11.996 1.00 1.23 H new ATOM 0 HB2 LEU A 49 -23.134 18.927 -10.317 1.00 51.32 H new ATOM 0 HB3 LEU A 49 -21.510 18.772 -9.678 1.00 51.32 H new ATOM 0 HG LEU A 49 -22.545 20.593 -8.559 1.00 12.52 H new ATOM 0 HD11 LEU A 49 -21.100 22.492 -9.172 1.00 44.22 H new ATOM 0 HD12 LEU A 49 -20.203 20.955 -9.160 1.00 44.22 H new ATOM 0 HD13 LEU A 49 -20.698 21.684 -10.706 1.00 44.22 H new ATOM 0 HD21 LEU A 49 -23.498 22.533 -9.744 1.00 53.03 H new ATOM 0 HD22 LEU A 49 -23.191 21.727 -11.300 1.00 53.03 H new ATOM 0 HD23 LEU A 49 -24.353 21.026 -10.149 1.00 53.03 H new ATOM 445 N LEU A 50 -20.432 17.293 -11.719 1.00 4.51 N ATOM 446 CA LEU A 50 -19.275 16.406 -11.770 1.00 21.14 C ATOM 447 C LEU A 50 -18.428 16.685 -13.007 1.00 2.41 C ATOM 448 O LEU A 50 -17.217 16.459 -13.007 1.00 55.41 O ATOM 449 CB LEU A 50 -19.728 14.945 -11.767 1.00 70.12 C ATOM 450 CG LEU A 50 -20.389 14.449 -10.481 1.00 12.34 C ATOM 451 CD1 LEU A 50 -20.884 13.021 -10.650 1.00 45.13 C ATOM 452 CD2 LEU A 50 -19.419 14.545 -9.312 1.00 34.53 C ATOM 0 H LEU A 50 -21.328 16.813 -11.638 1.00 4.51 H new ATOM 0 HA LEU A 50 -18.665 16.593 -10.886 1.00 21.14 H new ATOM 0 HB2 LEU A 50 -20.428 14.801 -12.590 1.00 70.12 H new ATOM 0 HB3 LEU A 50 -18.861 14.317 -11.972 1.00 70.12 H new ATOM 0 HG LEU A 50 -21.248 15.085 -10.268 1.00 12.34 H new ATOM 0 HD11 LEU A 50 -21.351 12.686 -9.724 1.00 45.13 H new ATOM 0 HD12 LEU A 50 -21.613 12.982 -11.459 1.00 45.13 H new ATOM 0 HD13 LEU A 50 -20.043 12.370 -10.888 1.00 45.13 H new ATOM 0 HD21 LEU A 50 -19.906 14.188 -8.405 1.00 34.53 H new ATOM 0 HD22 LEU A 50 -18.540 13.933 -9.517 1.00 34.53 H new ATOM 0 HD23 LEU A 50 -19.115 15.583 -9.176 1.00 34.53 H new ATOM 464 N TYR A 51 -19.071 17.180 -14.058 1.00 53.04 N ATOM 465 CA TYR A 51 -18.377 17.491 -15.302 1.00 72.45 C ATOM 466 C TYR A 51 -17.525 18.747 -15.152 1.00 55.40 C ATOM 467 O TYR A 51 -16.364 18.776 -15.558 1.00 53.25 O ATOM 468 CB TYR A 51 -19.383 17.676 -16.440 1.00 32.03 C ATOM 469 CG TYR A 51 -18.755 17.644 -17.815 1.00 13.12 C ATOM 470 CD1 TYR A 51 -17.877 18.640 -18.223 1.00 12.44 C ATOM 471 CD2 TYR A 51 -19.040 16.617 -18.706 1.00 23.50 C ATOM 472 CE1 TYR A 51 -17.302 18.616 -19.478 1.00 60.53 C ATOM 473 CE2 TYR A 51 -18.468 16.583 -19.963 1.00 61.32 C ATOM 474 CZ TYR A 51 -17.600 17.585 -20.345 1.00 32.42 C ATOM 475 OH TYR A 51 -17.028 17.555 -21.596 1.00 11.40 O ATOM 0 H TYR A 51 -20.072 17.375 -14.074 1.00 53.04 H new ATOM 0 HA TYR A 51 -17.720 16.655 -15.540 1.00 72.45 H new ATOM 0 HB2 TYR A 51 -20.138 16.893 -16.377 1.00 32.03 H new ATOM 0 HB3 TYR A 51 -19.898 18.627 -16.307 1.00 32.03 H new ATOM 0 HD1 TYR A 51 -17.640 19.448 -17.546 1.00 12.44 H new ATOM 0 HD2 TYR A 51 -19.720 15.832 -18.411 1.00 23.50 H new ATOM 0 HE1 TYR A 51 -16.623 19.400 -19.779 1.00 60.53 H new ATOM 0 HE2 TYR A 51 -18.699 15.776 -20.643 1.00 61.32 H new ATOM 0 HH TYR A 51 -17.342 16.763 -22.080 1.00 11.40 H new ATOM 485 N ALA A 52 -18.112 19.785 -14.564 1.00 72.11 N ATOM 486 CA ALA A 52 -17.408 21.044 -14.357 1.00 1.14 C ATOM 487 C ALA A 52 -16.063 20.815 -13.676 1.00 43.10 C ATOM 488 O ALA A 52 -15.022 21.245 -14.175 1.00 64.42 O ATOM 489 CB ALA A 52 -18.262 21.997 -13.534 1.00 53.30 C ATOM 0 H ALA A 52 -19.073 19.778 -14.223 1.00 72.11 H new ATOM 0 HA ALA A 52 -17.221 21.492 -15.333 1.00 1.14 H new ATOM 0 HB1 ALA A 52 -17.724 22.933 -13.387 1.00 53.30 H new ATOM 0 HB2 ALA A 52 -19.196 22.194 -14.059 1.00 53.30 H new ATOM 0 HB3 ALA A 52 -18.479 21.547 -12.565 1.00 53.30 H new ATOM 495 N LEU A 53 -16.091 20.137 -12.534 1.00 44.01 N ATOM 496 CA LEU A 53 -14.872 19.851 -11.784 1.00 15.31 C ATOM 497 C LEU A 53 -13.932 18.962 -12.591 1.00 31.22 C ATOM 498 O LEU A 53 -12.725 19.196 -12.634 1.00 23.14 O ATOM 499 CB LEU A 53 -15.215 19.177 -10.454 1.00 72.14 C ATOM 500 CG LEU A 53 -16.311 19.847 -9.625 1.00 21.03 C ATOM 501 CD1 LEU A 53 -16.698 18.970 -8.444 1.00 1.21 C ATOM 502 CD2 LEU A 53 -15.855 21.218 -9.147 1.00 21.24 C ATOM 0 H LEU A 53 -16.944 19.775 -12.107 1.00 44.01 H new ATOM 0 HA LEU A 53 -14.366 20.796 -11.586 1.00 15.31 H new ATOM 0 HB2 LEU A 53 -15.518 18.150 -10.658 1.00 72.14 H new ATOM 0 HB3 LEU A 53 -14.309 19.128 -9.850 1.00 72.14 H new ATOM 0 HG LEU A 53 -17.189 19.978 -10.257 1.00 21.03 H new ATOM 0 HD11 LEU A 53 -17.479 19.463 -7.865 1.00 1.21 H new ATOM 0 HD12 LEU A 53 -17.067 18.011 -8.808 1.00 1.21 H new ATOM 0 HD13 LEU A 53 -15.826 18.807 -7.811 1.00 1.21 H new ATOM 0 HD21 LEU A 53 -16.648 21.680 -8.559 1.00 21.24 H new ATOM 0 HD22 LEU A 53 -14.962 21.110 -8.532 1.00 21.24 H new ATOM 0 HD23 LEU A 53 -15.629 21.847 -10.008 1.00 21.24 H new ATOM 514 N ALA A 54 -14.495 17.942 -13.231 1.00 25.11 N ATOM 515 CA ALA A 54 -13.707 17.020 -14.040 1.00 50.11 C ATOM 516 C ALA A 54 -12.920 17.766 -15.113 1.00 31.34 C ATOM 517 O ALA A 54 -11.702 17.620 -15.216 1.00 52.31 O ATOM 518 CB ALA A 54 -14.609 15.973 -14.677 1.00 15.53 C ATOM 0 H ALA A 54 -15.493 17.733 -13.205 1.00 25.11 H new ATOM 0 HA ALA A 54 -12.994 16.519 -13.385 1.00 50.11 H new ATOM 0 HB1 ALA A 54 -14.007 15.291 -15.278 1.00 15.53 H new ATOM 0 HB2 ALA A 54 -15.122 15.412 -13.896 1.00 15.53 H new ATOM 0 HB3 ALA A 54 -15.344 16.465 -15.313 1.00 15.53 H new ATOM 524 N SER A 55 -13.624 18.564 -15.909 1.00 61.31 N ATOM 525 CA SER A 55 -12.991 19.329 -16.977 1.00 73.22 C ATOM 526 C SER A 55 -11.906 20.245 -16.420 1.00 13.22 C ATOM 527 O SER A 55 -10.905 20.515 -17.083 1.00 53.42 O ATOM 528 CB SER A 55 -14.036 20.155 -17.729 1.00 52.32 C ATOM 529 OG SER A 55 -13.422 21.024 -18.665 1.00 51.31 O ATOM 0 H SER A 55 -14.632 18.698 -15.835 1.00 61.31 H new ATOM 0 HA SER A 55 -12.528 18.626 -17.669 1.00 73.22 H new ATOM 0 HB2 SER A 55 -14.728 19.489 -18.245 1.00 52.32 H new ATOM 0 HB3 SER A 55 -14.624 20.737 -17.019 1.00 52.32 H new ATOM 0 HG SER A 55 -14.111 21.540 -19.134 1.00 51.31 H new ATOM 535 N SER A 56 -12.113 20.720 -15.196 1.00 13.42 N ATOM 536 CA SER A 56 -11.156 21.610 -14.549 1.00 63.11 C ATOM 537 C SER A 56 -9.781 20.955 -14.460 1.00 4.12 C ATOM 538 O SER A 56 -8.762 21.638 -14.359 1.00 51.51 O ATOM 539 CB SER A 56 -11.644 21.989 -13.150 1.00 14.22 C ATOM 540 OG SER A 56 -11.487 23.378 -12.914 1.00 33.43 O ATOM 0 H SER A 56 -12.935 20.503 -14.632 1.00 13.42 H new ATOM 0 HA SER A 56 -11.071 22.513 -15.153 1.00 63.11 H new ATOM 0 HB2 SER A 56 -12.693 21.715 -13.041 1.00 14.22 H new ATOM 0 HB3 SER A 56 -11.087 21.425 -12.402 1.00 14.22 H new ATOM 0 HG SER A 56 -11.808 23.595 -12.014 1.00 33.43 H new ATOM 546 N GLN A 57 -9.761 19.627 -14.497 1.00 72.35 N ATOM 547 CA GLN A 57 -8.512 18.879 -14.420 1.00 62.01 C ATOM 548 C GLN A 57 -8.199 18.203 -15.751 1.00 24.12 C ATOM 549 O GLN A 57 -7.323 18.646 -16.493 1.00 23.25 O ATOM 550 CB GLN A 57 -8.588 17.832 -13.308 1.00 22.42 C ATOM 551 CG GLN A 57 -8.676 18.430 -11.913 1.00 41.33 C ATOM 552 CD GLN A 57 -7.314 18.731 -11.320 1.00 44.22 C ATOM 553 OE1 GLN A 57 -6.431 17.739 -11.330 1.00 42.31 O flip ATOM 554 NE2 GLN A 57 -7.057 19.843 -10.858 1.00 31.01 N flip ATOM 0 H GLN A 57 -10.596 19.047 -14.580 1.00 72.35 H new ATOM 0 HA GLN A 57 -7.710 19.582 -14.193 1.00 62.01 H new ATOM 0 HB2 GLN A 57 -9.458 17.197 -13.477 1.00 22.42 H new ATOM 0 HB3 GLN A 57 -7.709 17.190 -13.364 1.00 22.42 H new ATOM 0 HG2 GLN A 57 -9.262 19.348 -11.952 1.00 41.33 H new ATOM 0 HG3 GLN A 57 -9.208 17.740 -11.259 1.00 41.33 H new ATOM 0 HE21 GLN A 57 -7.765 20.577 -10.871 1.00 31.01 H new ATOM 0 HE22 GLN A 57 -6.136 20.030 -10.463 1.00 31.01 H new ATOM 563 N GLY A 58 -8.921 17.126 -16.047 1.00 1.42 N ATOM 564 CA GLY A 58 -8.705 16.406 -17.288 1.00 4.30 C ATOM 565 C GLY A 58 -9.955 16.334 -18.142 1.00 42.41 C ATOM 566 O GLY A 58 -11.042 16.699 -17.695 1.00 12.33 O ATOM 0 H GLY A 58 -9.652 16.740 -15.449 1.00 1.42 H new ATOM 0 HA2 GLY A 58 -7.910 16.893 -17.853 1.00 4.30 H new ATOM 0 HA3 GLY A 58 -8.364 15.396 -17.063 1.00 4.30 H new ATOM 570 N ASP A 59 -9.801 15.865 -19.375 1.00 63.40 N ATOM 571 CA ASP A 59 -10.926 15.747 -20.295 1.00 35.24 C ATOM 572 C ASP A 59 -11.835 14.588 -19.896 1.00 64.30 C ATOM 573 O ASP A 59 -11.370 13.575 -19.371 1.00 75.14 O ATOM 574 CB ASP A 59 -10.425 15.549 -21.726 1.00 2.21 C ATOM 575 CG ASP A 59 -9.864 16.824 -22.324 1.00 3.31 C ATOM 576 OD1 ASP A 59 -10.417 17.906 -22.039 1.00 14.51 O ATOM 577 OD2 ASP A 59 -8.871 16.740 -23.078 1.00 34.13 O ATOM 0 H ASP A 59 -8.907 15.560 -19.761 1.00 63.40 H new ATOM 0 HA ASP A 59 -11.502 16.671 -20.245 1.00 35.24 H new ATOM 0 HB2 ASP A 59 -9.655 14.777 -21.735 1.00 2.21 H new ATOM 0 HB3 ASP A 59 -11.244 15.189 -22.348 1.00 2.21 H new ATOM 582 N ILE A 60 -13.130 14.744 -20.148 1.00 1.15 N ATOM 583 CA ILE A 60 -14.102 13.711 -19.815 1.00 34.41 C ATOM 584 C ILE A 60 -14.644 13.040 -21.073 1.00 0.11 C ATOM 585 O ILE A 60 -15.009 13.711 -22.039 1.00 71.13 O ATOM 586 CB ILE A 60 -15.280 14.285 -19.006 1.00 0.25 C ATOM 587 CG1 ILE A 60 -14.768 14.983 -17.744 1.00 23.22 C ATOM 588 CG2 ILE A 60 -16.263 13.182 -18.645 1.00 74.21 C ATOM 589 CD1 ILE A 60 -14.637 16.482 -17.893 1.00 42.43 C ATOM 0 H ILE A 60 -13.530 15.576 -20.582 1.00 1.15 H new ATOM 0 HA ILE A 60 -13.580 12.972 -19.207 1.00 34.41 H new ATOM 0 HB ILE A 60 -15.799 15.020 -19.621 1.00 0.25 H new ATOM 0 HG12 ILE A 60 -15.446 14.766 -16.918 1.00 23.22 H new ATOM 0 HG13 ILE A 60 -13.797 14.566 -17.477 1.00 23.22 H new ATOM 0 HG21 ILE A 60 -17.090 13.604 -18.073 1.00 74.21 H new ATOM 0 HG22 ILE A 60 -16.648 12.725 -19.557 1.00 74.21 H new ATOM 0 HG23 ILE A 60 -15.757 12.425 -18.046 1.00 74.21 H new ATOM 0 HD11 ILE A 60 -14.269 16.910 -16.960 1.00 42.43 H new ATOM 0 HD12 ILE A 60 -13.936 16.708 -18.697 1.00 42.43 H new ATOM 0 HD13 ILE A 60 -15.611 16.911 -18.130 1.00 42.43 H new ATOM 601 N LEU A 61 -14.695 11.713 -21.054 1.00 31.23 N ATOM 602 CA LEU A 61 -15.194 10.950 -22.192 1.00 75.24 C ATOM 603 C LEU A 61 -16.643 10.527 -21.972 1.00 14.54 C ATOM 604 O LEU A 61 -17.387 10.303 -22.927 1.00 14.05 O ATOM 605 CB LEU A 61 -14.322 9.716 -22.427 1.00 24.32 C ATOM 606 CG LEU A 61 -12.820 9.903 -22.204 1.00 55.21 C ATOM 607 CD1 LEU A 61 -12.061 8.645 -22.596 1.00 54.25 C ATOM 608 CD2 LEU A 61 -12.311 11.103 -22.989 1.00 65.23 C ATOM 0 H LEU A 61 -14.397 11.143 -20.263 1.00 31.23 H new ATOM 0 HA LEU A 61 -15.151 11.591 -23.073 1.00 75.24 H new ATOM 0 HB2 LEU A 61 -14.670 8.919 -21.770 1.00 24.32 H new ATOM 0 HB3 LEU A 61 -14.477 9.376 -23.451 1.00 24.32 H new ATOM 0 HG LEU A 61 -12.649 10.089 -21.144 1.00 55.21 H new ATOM 0 HD11 LEU A 61 -10.994 8.797 -22.430 1.00 54.25 H new ATOM 0 HD12 LEU A 61 -12.407 7.808 -21.990 1.00 54.25 H new ATOM 0 HD13 LEU A 61 -12.237 8.427 -23.649 1.00 54.25 H new ATOM 0 HD21 LEU A 61 -11.241 11.222 -22.819 1.00 65.23 H new ATOM 0 HD22 LEU A 61 -12.494 10.947 -24.052 1.00 65.23 H new ATOM 0 HD23 LEU A 61 -12.833 12.001 -22.659 1.00 65.23 H new ATOM 620 N ASP A 62 -17.038 10.423 -20.707 1.00 44.33 N ATOM 621 CA ASP A 62 -18.399 10.031 -20.361 1.00 2.33 C ATOM 622 C ASP A 62 -18.583 9.989 -18.847 1.00 14.30 C ATOM 623 O ASP A 62 -17.841 9.307 -18.140 1.00 74.52 O ATOM 624 CB ASP A 62 -18.729 8.666 -20.965 1.00 64.42 C ATOM 625 CG ASP A 62 -19.948 8.030 -20.328 1.00 33.43 C ATOM 626 OD1 ASP A 62 -20.991 8.711 -20.230 1.00 64.12 O ATOM 627 OD2 ASP A 62 -19.861 6.850 -19.927 1.00 42.22 O ATOM 0 H ASP A 62 -16.435 10.605 -19.905 1.00 44.33 H new ATOM 0 HA ASP A 62 -19.081 10.775 -20.772 1.00 2.33 H new ATOM 0 HB2 ASP A 62 -18.899 8.777 -22.036 1.00 64.42 H new ATOM 0 HB3 ASP A 62 -17.872 8.003 -20.845 1.00 64.42 H new ATOM 632 N ILE A 63 -19.576 10.724 -18.357 1.00 1.04 N ATOM 633 CA ILE A 63 -19.857 10.770 -16.927 1.00 53.41 C ATOM 634 C ILE A 63 -21.089 9.940 -16.582 1.00 52.42 C ATOM 635 O ILE A 63 -22.208 10.281 -16.966 1.00 52.21 O ATOM 636 CB ILE A 63 -20.074 12.216 -16.443 1.00 11.14 C ATOM 637 CG1 ILE A 63 -18.860 13.080 -16.788 1.00 43.41 C ATOM 638 CG2 ILE A 63 -20.338 12.239 -14.944 1.00 70.44 C ATOM 639 CD1 ILE A 63 -18.976 14.508 -16.302 1.00 11.01 C ATOM 0 H ILE A 63 -20.199 11.295 -18.928 1.00 1.04 H new ATOM 0 HA ILE A 63 -18.987 10.352 -16.420 1.00 53.41 H new ATOM 0 HB ILE A 63 -20.946 12.627 -16.952 1.00 11.14 H new ATOM 0 HG12 ILE A 63 -17.968 12.629 -16.354 1.00 43.41 H new ATOM 0 HG13 ILE A 63 -18.722 13.083 -17.869 1.00 43.41 H new ATOM 0 HG21 ILE A 63 -20.489 13.268 -14.617 1.00 70.44 H new ATOM 0 HG22 ILE A 63 -21.230 11.653 -14.723 1.00 70.44 H new ATOM 0 HG23 ILE A 63 -19.484 11.813 -14.418 1.00 70.44 H new ATOM 0 HD11 ILE A 63 -18.080 15.062 -16.582 1.00 11.01 H new ATOM 0 HD12 ILE A 63 -19.849 14.977 -16.756 1.00 11.01 H new ATOM 0 HD13 ILE A 63 -19.083 14.516 -15.217 1.00 11.01 H new ATOM 651 N VAL A 64 -20.876 8.849 -15.853 1.00 40.44 N ATOM 652 CA VAL A 64 -21.969 7.972 -15.453 1.00 72.53 C ATOM 653 C VAL A 64 -22.397 8.247 -14.016 1.00 72.32 C ATOM 654 O VAL A 64 -21.582 8.628 -13.176 1.00 41.13 O ATOM 655 CB VAL A 64 -21.575 6.488 -15.585 1.00 1.41 C ATOM 656 CG1 VAL A 64 -22.766 5.591 -15.286 1.00 23.40 C ATOM 657 CG2 VAL A 64 -21.019 6.206 -16.973 1.00 12.43 C ATOM 0 H VAL A 64 -19.956 8.552 -15.528 1.00 40.44 H new ATOM 0 HA VAL A 64 -22.803 8.180 -16.123 1.00 72.53 H new ATOM 0 HB VAL A 64 -20.795 6.271 -14.855 1.00 1.41 H new ATOM 0 HG11 VAL A 64 -22.469 4.547 -15.384 1.00 23.40 H new ATOM 0 HG12 VAL A 64 -23.114 5.775 -14.270 1.00 23.40 H new ATOM 0 HG13 VAL A 64 -23.570 5.807 -15.990 1.00 23.40 H new ATOM 0 HG21 VAL A 64 -20.746 5.153 -17.049 1.00 12.43 H new ATOM 0 HG22 VAL A 64 -21.775 6.439 -17.722 1.00 12.43 H new ATOM 0 HG23 VAL A 64 -20.137 6.823 -17.144 1.00 12.43 H new ATOM 667 N VAL A 65 -23.682 8.050 -13.739 1.00 54.13 N ATOM 668 CA VAL A 65 -24.220 8.275 -12.403 1.00 4.42 C ATOM 669 C VAL A 65 -25.324 7.276 -12.079 1.00 34.01 C ATOM 670 O VAL A 65 -26.176 6.983 -12.918 1.00 14.40 O ATOM 671 CB VAL A 65 -24.775 9.704 -12.255 1.00 14.23 C ATOM 672 CG1 VAL A 65 -25.159 9.981 -10.809 1.00 74.11 C ATOM 673 CG2 VAL A 65 -23.761 10.724 -12.750 1.00 71.01 C ATOM 0 H VAL A 65 -24.370 7.735 -14.423 1.00 54.13 H new ATOM 0 HA VAL A 65 -23.396 8.139 -11.703 1.00 4.42 H new ATOM 0 HB VAL A 65 -25.672 9.791 -12.868 1.00 14.23 H new ATOM 0 HG11 VAL A 65 -25.549 10.995 -10.724 1.00 74.11 H new ATOM 0 HG12 VAL A 65 -25.923 9.271 -10.493 1.00 74.11 H new ATOM 0 HG13 VAL A 65 -24.280 9.876 -10.173 1.00 74.11 H new ATOM 0 HG21 VAL A 65 -24.170 11.728 -12.638 1.00 71.01 H new ATOM 0 HG22 VAL A 65 -22.844 10.639 -12.166 1.00 71.01 H new ATOM 0 HG23 VAL A 65 -23.541 10.537 -13.801 1.00 71.01 H new ATOM 683 N ASP A 66 -25.304 6.756 -10.857 1.00 30.32 N ATOM 684 CA ASP A 66 -26.305 5.789 -10.420 1.00 53.54 C ATOM 685 C ASP A 66 -27.700 6.407 -10.438 1.00 72.21 C ATOM 686 O ASP A 66 -27.922 7.448 -11.057 1.00 51.24 O ATOM 687 CB ASP A 66 -25.977 5.282 -9.016 1.00 23.53 C ATOM 688 CG ASP A 66 -26.125 3.778 -8.894 1.00 74.33 C ATOM 689 OD1 ASP A 66 -25.807 3.069 -9.872 1.00 60.31 O ATOM 690 OD2 ASP A 66 -26.559 3.310 -7.821 1.00 74.52 O ATOM 0 H ASP A 66 -24.605 6.988 -10.151 1.00 30.32 H new ATOM 0 HA ASP A 66 -26.290 4.948 -11.114 1.00 53.54 H new ATOM 0 HB2 ASP A 66 -24.956 5.566 -8.760 1.00 23.53 H new ATOM 0 HB3 ASP A 66 -26.634 5.768 -8.295 1.00 23.53 H new ATOM 695 N LEU A 67 -28.637 5.758 -9.756 1.00 74.21 N ATOM 696 CA LEU A 67 -30.012 6.242 -9.694 1.00 11.21 C ATOM 697 C LEU A 67 -30.226 7.116 -8.462 1.00 35.52 C ATOM 698 O LEU A 67 -31.358 7.318 -8.021 1.00 61.41 O ATOM 699 CB LEU A 67 -30.988 5.065 -9.675 1.00 32.35 C ATOM 700 CG LEU A 67 -30.641 3.920 -8.721 1.00 42.54 C ATOM 701 CD1 LEU A 67 -29.636 2.977 -9.364 1.00 75.42 C ATOM 702 CD2 LEU A 67 -30.098 4.466 -7.409 1.00 13.14 C ATOM 0 H LEU A 67 -28.470 4.895 -9.238 1.00 74.21 H new ATOM 0 HA LEU A 67 -30.199 6.846 -10.582 1.00 11.21 H new ATOM 0 HB2 LEU A 67 -31.976 5.443 -9.413 1.00 32.35 H new ATOM 0 HB3 LEU A 67 -31.059 4.661 -10.685 1.00 32.35 H new ATOM 0 HG LEU A 67 -31.551 3.359 -8.509 1.00 42.54 H new ATOM 0 HD11 LEU A 67 -29.401 2.169 -8.671 1.00 75.42 H new ATOM 0 HD12 LEU A 67 -30.061 2.560 -10.277 1.00 75.42 H new ATOM 0 HD13 LEU A 67 -28.725 3.525 -9.605 1.00 75.42 H new ATOM 0 HD21 LEU A 67 -29.856 3.638 -6.743 1.00 13.14 H new ATOM 0 HD22 LEU A 67 -29.198 5.050 -7.603 1.00 13.14 H new ATOM 0 HD23 LEU A 67 -30.850 5.101 -6.941 1.00 13.14 H new ATOM 714 N SER A 68 -29.133 7.633 -7.912 1.00 25.54 N ATOM 715 CA SER A 68 -29.200 8.483 -6.729 1.00 55.32 C ATOM 716 C SER A 68 -30.020 7.818 -5.628 1.00 12.13 C ATOM 717 O SER A 68 -31.023 8.365 -5.169 1.00 74.11 O ATOM 718 CB SER A 68 -29.810 9.840 -7.086 1.00 14.32 C ATOM 719 OG SER A 68 -30.010 10.630 -5.926 1.00 41.23 O ATOM 0 H SER A 68 -28.189 7.478 -8.267 1.00 25.54 H new ATOM 0 HA SER A 68 -28.185 8.633 -6.361 1.00 55.32 H new ATOM 0 HB2 SER A 68 -29.154 10.366 -7.780 1.00 14.32 H new ATOM 0 HB3 SER A 68 -30.761 9.692 -7.597 1.00 14.32 H new ATOM 0 HG SER A 68 -30.698 10.217 -5.363 1.00 41.23 H new ATOM 725 N ASP A 69 -29.586 6.635 -5.208 1.00 45.12 N ATOM 726 CA ASP A 69 -30.277 5.894 -4.160 1.00 13.12 C ATOM 727 C ASP A 69 -29.986 6.494 -2.788 1.00 11.12 C ATOM 728 O ASP A 69 -28.904 7.032 -2.551 1.00 52.05 O ATOM 729 CB ASP A 69 -29.860 4.423 -4.186 1.00 35.23 C ATOM 730 CG ASP A 69 -31.037 3.491 -4.399 1.00 54.33 C ATOM 731 OD1 ASP A 69 -32.161 3.850 -3.987 1.00 63.21 O ATOM 732 OD2 ASP A 69 -30.835 2.404 -4.979 1.00 55.35 O ATOM 0 H ASP A 69 -28.758 6.168 -5.578 1.00 45.12 H new ATOM 0 HA ASP A 69 -31.349 5.963 -4.347 1.00 13.12 H new ATOM 0 HB2 ASP A 69 -29.130 4.269 -4.981 1.00 35.23 H new ATOM 0 HB3 ASP A 69 -29.367 4.172 -3.247 1.00 35.23 H new ATOM 737 N ASP A 70 -30.958 6.399 -1.888 1.00 35.12 N ATOM 738 CA ASP A 70 -30.807 6.932 -0.539 1.00 1.20 C ATOM 739 C ASP A 70 -29.924 6.022 0.309 1.00 2.21 C ATOM 740 O ASP A 70 -29.592 6.349 1.448 1.00 62.23 O ATOM 741 CB ASP A 70 -32.175 7.098 0.124 1.00 73.22 C ATOM 742 CG ASP A 70 -32.339 8.453 0.783 1.00 52.22 C ATOM 743 OD1 ASP A 70 -31.850 8.623 1.919 1.00 34.01 O ATOM 744 OD2 ASP A 70 -32.957 9.344 0.163 1.00 51.15 O ATOM 0 H ASP A 70 -31.860 5.958 -2.068 1.00 35.12 H new ATOM 0 HA ASP A 70 -30.328 7.908 -0.613 1.00 1.20 H new ATOM 0 HB2 ASP A 70 -32.956 6.964 -0.624 1.00 73.22 H new ATOM 0 HB3 ASP A 70 -32.311 6.315 0.871 1.00 73.22 H new ATOM 749 N ASN A 71 -29.548 4.878 -0.254 1.00 51.41 N ATOM 750 CA ASN A 71 -28.705 3.920 0.451 1.00 20.11 C ATOM 751 C ASN A 71 -27.409 3.670 -0.314 1.00 23.14 C ATOM 752 O ASN A 71 -26.491 3.026 0.194 1.00 4.23 O ATOM 753 CB ASN A 71 -29.454 2.601 0.652 1.00 12.11 C ATOM 754 CG ASN A 71 -29.359 2.094 2.078 1.00 72.30 C ATOM 755 OD1 ASN A 71 -30.218 2.385 2.911 1.00 45.21 O ATOM 756 ND2 ASN A 71 -28.312 1.330 2.365 1.00 25.14 N ATOM 0 H ASN A 71 -29.814 4.592 -1.196 1.00 51.41 H new ATOM 0 HA ASN A 71 -28.456 4.341 1.425 1.00 20.11 H new ATOM 0 HB2 ASN A 71 -30.502 2.738 0.387 1.00 12.11 H new ATOM 0 HB3 ASN A 71 -29.049 1.849 -0.026 1.00 12.11 H new ATOM 0 HD21 ASN A 71 -28.195 0.958 3.308 1.00 25.14 H new ATOM 0 HD22 ASN A 71 -27.625 1.115 1.643 1.00 25.14 H new ATOM 763 N SER A 72 -27.341 4.184 -1.537 1.00 54.14 N ATOM 764 CA SER A 72 -26.159 4.014 -2.374 1.00 11.30 C ATOM 765 C SER A 72 -25.502 5.360 -2.665 1.00 63.11 C ATOM 766 O SER A 72 -24.439 5.673 -2.130 1.00 12.12 O ATOM 767 CB SER A 72 -26.532 3.322 -3.686 1.00 71.41 C ATOM 768 OG SER A 72 -25.940 2.037 -3.771 1.00 34.33 O ATOM 0 H SER A 72 -28.091 4.722 -1.971 1.00 54.14 H new ATOM 0 HA SER A 72 -25.447 3.391 -1.833 1.00 11.30 H new ATOM 0 HB2 SER A 72 -27.616 3.232 -3.758 1.00 71.41 H new ATOM 0 HB3 SER A 72 -26.206 3.932 -4.528 1.00 71.41 H new ATOM 0 HG SER A 72 -26.195 1.615 -4.618 1.00 34.33 H new ATOM 774 N GLY A 73 -26.143 6.153 -3.519 1.00 21.44 N ATOM 775 CA GLY A 73 -25.607 7.455 -3.867 1.00 42.31 C ATOM 776 C GLY A 73 -24.161 7.386 -4.316 1.00 63.22 C ATOM 777 O GLY A 73 -23.244 7.522 -3.506 1.00 65.41 O ATOM 0 H GLY A 73 -27.024 5.916 -3.976 1.00 21.44 H new ATOM 0 HA2 GLY A 73 -26.211 7.892 -4.662 1.00 42.31 H new ATOM 0 HA3 GLY A 73 -25.685 8.119 -3.006 1.00 42.31 H new ATOM 781 N LYS A 74 -23.955 7.172 -5.611 1.00 43.03 N ATOM 782 CA LYS A 74 -22.610 7.084 -6.168 1.00 71.14 C ATOM 783 C LYS A 74 -22.618 7.398 -7.661 1.00 2.41 C ATOM 784 O LYS A 74 -23.670 7.653 -8.246 1.00 32.14 O ATOM 785 CB LYS A 74 -22.029 5.688 -5.934 1.00 31.34 C ATOM 786 CG LYS A 74 -22.780 4.586 -6.661 1.00 14.03 C ATOM 787 CD LYS A 74 -23.057 3.403 -5.748 1.00 12.42 C ATOM 788 CE LYS A 74 -22.077 2.267 -5.995 1.00 71.11 C ATOM 789 NZ LYS A 74 -21.282 1.945 -4.778 1.00 13.15 N ATOM 0 H LYS A 74 -24.703 7.056 -6.295 1.00 43.03 H new ATOM 0 HA LYS A 74 -21.986 7.821 -5.662 1.00 71.14 H new ATOM 0 HB2 LYS A 74 -20.987 5.679 -6.255 1.00 31.34 H new ATOM 0 HB3 LYS A 74 -22.035 5.476 -4.865 1.00 31.34 H new ATOM 0 HG2 LYS A 74 -23.722 4.978 -7.045 1.00 14.03 H new ATOM 0 HG3 LYS A 74 -22.198 4.254 -7.521 1.00 14.03 H new ATOM 0 HD2 LYS A 74 -22.991 3.722 -4.708 1.00 12.42 H new ATOM 0 HD3 LYS A 74 -24.075 3.048 -5.909 1.00 12.42 H new ATOM 0 HE2 LYS A 74 -22.623 1.380 -6.317 1.00 71.11 H new ATOM 0 HE3 LYS A 74 -21.403 2.539 -6.807 1.00 71.11 H new ATOM 0 HZ1 LYS A 74 -20.626 1.166 -4.988 1.00 13.15 H new ATOM 0 HZ2 LYS A 74 -20.741 2.783 -4.485 1.00 13.15 H new ATOM 0 HZ3 LYS A 74 -21.923 1.661 -4.010 1.00 13.15 H new ATOM 803 N ALA A 75 -21.438 7.378 -8.272 1.00 25.55 N ATOM 804 CA ALA A 75 -21.310 7.657 -9.696 1.00 64.04 C ATOM 805 C ALA A 75 -19.913 7.310 -10.200 1.00 43.45 C ATOM 806 O ALA A 75 -19.062 6.855 -9.436 1.00 44.11 O ATOM 807 CB ALA A 75 -21.627 9.118 -9.978 1.00 51.02 C ATOM 0 H ALA A 75 -20.557 7.171 -7.802 1.00 25.55 H new ATOM 0 HA ALA A 75 -22.026 7.032 -10.229 1.00 64.04 H new ATOM 0 HB1 ALA A 75 -21.527 9.312 -11.046 1.00 51.02 H new ATOM 0 HB2 ALA A 75 -22.647 9.336 -9.663 1.00 51.02 H new ATOM 0 HB3 ALA A 75 -20.934 9.754 -9.427 1.00 51.02 H new ATOM 813 N TYR A 76 -19.684 7.528 -11.491 1.00 22.13 N ATOM 814 CA TYR A 76 -18.391 7.235 -12.097 1.00 44.44 C ATOM 815 C TYR A 76 -18.054 8.255 -13.181 1.00 1.42 C ATOM 816 O TYR A 76 -18.847 8.494 -14.092 1.00 62.44 O ATOM 817 CB TYR A 76 -18.389 5.825 -12.691 1.00 13.54 C ATOM 818 CG TYR A 76 -19.214 4.835 -11.900 1.00 24.03 C ATOM 819 CD1 TYR A 76 -20.578 4.701 -12.124 1.00 54.52 C ATOM 820 CD2 TYR A 76 -18.628 4.034 -10.927 1.00 73.54 C ATOM 821 CE1 TYR A 76 -21.336 3.798 -11.404 1.00 1.44 C ATOM 822 CE2 TYR A 76 -19.378 3.127 -10.203 1.00 63.21 C ATOM 823 CZ TYR A 76 -20.731 3.013 -10.445 1.00 1.04 C ATOM 824 OH TYR A 76 -21.481 2.112 -9.724 1.00 70.02 O ATOM 0 H TYR A 76 -20.377 7.906 -12.137 1.00 22.13 H new ATOM 0 HA TYR A 76 -17.632 7.295 -11.317 1.00 44.44 H new ATOM 0 HB2 TYR A 76 -18.769 5.869 -13.712 1.00 13.54 H new ATOM 0 HB3 TYR A 76 -17.362 5.465 -12.749 1.00 13.54 H new ATOM 0 HD1 TYR A 76 -21.055 5.314 -12.875 1.00 54.52 H new ATOM 0 HD2 TYR A 76 -17.569 4.122 -10.734 1.00 73.54 H new ATOM 0 HE1 TYR A 76 -22.396 3.707 -11.591 1.00 1.44 H new ATOM 0 HE2 TYR A 76 -18.907 2.511 -9.452 1.00 63.21 H new ATOM 0 HH TYR A 76 -20.903 1.638 -9.090 1.00 70.02 H new ATOM 834 N ILE A 77 -16.872 8.854 -13.074 1.00 74.20 N ATOM 835 CA ILE A 77 -16.429 9.847 -14.045 1.00 31.33 C ATOM 836 C ILE A 77 -15.316 9.293 -14.928 1.00 10.20 C ATOM 837 O ILE A 77 -14.205 9.041 -14.461 1.00 12.41 O ATOM 838 CB ILE A 77 -15.930 11.128 -13.351 1.00 64.03 C ATOM 839 CG1 ILE A 77 -16.942 11.594 -12.303 1.00 3.31 C ATOM 840 CG2 ILE A 77 -15.680 12.223 -14.378 1.00 24.41 C ATOM 841 CD1 ILE A 77 -16.527 12.858 -11.582 1.00 64.23 C ATOM 0 H ILE A 77 -16.205 8.669 -12.325 1.00 74.20 H new ATOM 0 HA ILE A 77 -17.292 10.092 -14.664 1.00 31.33 H new ATOM 0 HB ILE A 77 -14.989 10.908 -12.847 1.00 64.03 H new ATOM 0 HG12 ILE A 77 -17.904 11.761 -12.788 1.00 3.31 H new ATOM 0 HG13 ILE A 77 -17.087 10.799 -11.571 1.00 3.31 H new ATOM 0 HG21 ILE A 77 -15.328 13.122 -13.873 1.00 24.41 H new ATOM 0 HG22 ILE A 77 -14.926 11.888 -15.091 1.00 24.41 H new ATOM 0 HG23 ILE A 77 -16.607 12.444 -14.907 1.00 24.41 H new ATOM 0 HD11 ILE A 77 -17.292 13.129 -10.854 1.00 64.23 H new ATOM 0 HD12 ILE A 77 -15.580 12.690 -11.068 1.00 64.23 H new ATOM 0 HD13 ILE A 77 -16.410 13.667 -12.303 1.00 64.23 H new ATOM 853 N VAL A 78 -15.621 9.107 -16.208 1.00 52.34 N ATOM 854 CA VAL A 78 -14.646 8.586 -17.159 1.00 10.51 C ATOM 855 C VAL A 78 -13.809 9.710 -17.759 1.00 3.43 C ATOM 856 O VAL A 78 -14.345 10.676 -18.304 1.00 23.34 O ATOM 857 CB VAL A 78 -15.332 7.809 -18.297 1.00 71.55 C ATOM 858 CG1 VAL A 78 -14.301 7.073 -19.139 1.00 24.20 C ATOM 859 CG2 VAL A 78 -16.362 6.841 -17.735 1.00 73.54 C ATOM 0 H VAL A 78 -16.536 9.309 -16.611 1.00 52.34 H new ATOM 0 HA VAL A 78 -13.996 7.908 -16.606 1.00 10.51 H new ATOM 0 HB VAL A 78 -15.849 8.522 -18.940 1.00 71.55 H new ATOM 0 HG11 VAL A 78 -14.805 6.530 -19.938 1.00 24.20 H new ATOM 0 HG12 VAL A 78 -13.605 7.791 -19.572 1.00 24.20 H new ATOM 0 HG13 VAL A 78 -13.754 6.370 -18.511 1.00 24.20 H new ATOM 0 HG21 VAL A 78 -16.837 6.300 -18.553 1.00 73.54 H new ATOM 0 HG22 VAL A 78 -15.870 6.132 -17.069 1.00 73.54 H new ATOM 0 HG23 VAL A 78 -17.118 7.396 -17.180 1.00 73.54 H new ATOM 869 N PHE A 79 -12.490 9.579 -17.655 1.00 74.43 N ATOM 870 CA PHE A 79 -11.578 10.584 -18.187 1.00 65.33 C ATOM 871 C PHE A 79 -10.845 10.056 -19.418 1.00 1.25 C ATOM 872 O PHE A 79 -11.046 8.915 -19.831 1.00 21.43 O ATOM 873 CB PHE A 79 -10.566 11.002 -17.118 1.00 33.01 C ATOM 874 CG PHE A 79 -11.147 11.899 -16.062 1.00 62.03 C ATOM 875 CD1 PHE A 79 -11.178 13.272 -16.242 1.00 54.54 C ATOM 876 CD2 PHE A 79 -11.661 11.369 -14.890 1.00 73.21 C ATOM 877 CE1 PHE A 79 -11.711 14.100 -15.272 1.00 53.12 C ATOM 878 CE2 PHE A 79 -12.196 12.191 -13.916 1.00 42.55 C ATOM 879 CZ PHE A 79 -12.222 13.559 -14.108 1.00 63.14 C ATOM 0 H PHE A 79 -12.030 8.787 -17.207 1.00 74.43 H new ATOM 0 HA PHE A 79 -12.166 11.453 -18.481 1.00 65.33 H new ATOM 0 HB2 PHE A 79 -10.162 10.108 -16.642 1.00 33.01 H new ATOM 0 HB3 PHE A 79 -9.732 11.513 -17.599 1.00 33.01 H new ATOM 0 HD1 PHE A 79 -10.781 13.700 -17.151 1.00 54.54 H new ATOM 0 HD2 PHE A 79 -11.644 10.300 -14.735 1.00 73.21 H new ATOM 0 HE1 PHE A 79 -11.728 15.169 -15.424 1.00 53.12 H new ATOM 0 HE2 PHE A 79 -12.593 11.765 -13.007 1.00 42.55 H new ATOM 0 HZ PHE A 79 -12.641 14.204 -13.350 1.00 63.14 H new ATOM 889 N ALA A 80 -9.995 10.897 -19.998 1.00 62.31 N ATOM 890 CA ALA A 80 -9.231 10.516 -21.180 1.00 21.33 C ATOM 891 C ALA A 80 -8.283 9.361 -20.872 1.00 52.40 C ATOM 892 O ALA A 80 -8.142 8.431 -21.666 1.00 73.23 O ATOM 893 CB ALA A 80 -8.455 11.710 -21.714 1.00 43.31 C ATOM 0 H ALA A 80 -9.818 11.846 -19.669 1.00 62.31 H new ATOM 0 HA ALA A 80 -9.933 10.182 -21.944 1.00 21.33 H new ATOM 0 HB1 ALA A 80 -7.889 11.411 -22.596 1.00 43.31 H new ATOM 0 HB2 ALA A 80 -9.150 12.506 -21.981 1.00 43.31 H new ATOM 0 HB3 ALA A 80 -7.769 12.070 -20.948 1.00 43.31 H new ATOM 899 N THR A 81 -7.634 9.427 -19.714 1.00 4.41 N ATOM 900 CA THR A 81 -6.698 8.389 -19.302 1.00 64.12 C ATOM 901 C THR A 81 -6.368 8.503 -17.818 1.00 64.04 C ATOM 902 O THR A 81 -6.678 9.509 -17.181 1.00 25.35 O ATOM 903 CB THR A 81 -5.390 8.457 -20.114 1.00 33.00 C ATOM 904 OG1 THR A 81 -5.497 9.459 -21.131 1.00 42.31 O ATOM 905 CG2 THR A 81 -5.079 7.111 -20.752 1.00 4.45 C ATOM 0 H THR A 81 -7.740 10.189 -19.044 1.00 4.41 H new ATOM 0 HA THR A 81 -7.185 7.432 -19.491 1.00 64.12 H new ATOM 0 HB THR A 81 -4.578 8.715 -19.434 1.00 33.00 H new ATOM 0 HG1 THR A 81 -4.661 9.497 -21.642 1.00 42.31 H new ATOM 0 HG21 THR A 81 -4.151 7.183 -21.320 1.00 4.45 H new ATOM 0 HG22 THR A 81 -4.970 6.356 -19.974 1.00 4.45 H new ATOM 0 HG23 THR A 81 -5.893 6.828 -21.420 1.00 4.45 H new ATOM 913 N GLN A 82 -5.737 7.466 -17.276 1.00 0.52 N ATOM 914 CA GLN A 82 -5.365 7.452 -15.866 1.00 32.21 C ATOM 915 C GLN A 82 -4.590 8.712 -15.494 1.00 72.42 C ATOM 916 O GLN A 82 -4.652 9.176 -14.357 1.00 15.34 O ATOM 917 CB GLN A 82 -4.527 6.212 -15.551 1.00 33.54 C ATOM 918 CG GLN A 82 -4.780 5.643 -14.163 1.00 42.24 C ATOM 919 CD GLN A 82 -3.679 5.991 -13.181 1.00 64.51 C ATOM 920 OE1 GLN A 82 -3.225 7.133 -13.118 1.00 42.51 O ATOM 921 NE2 GLN A 82 -3.242 5.004 -12.407 1.00 74.42 N ATOM 0 H GLN A 82 -5.473 6.626 -17.791 1.00 0.52 H new ATOM 0 HA GLN A 82 -6.280 7.424 -15.275 1.00 32.21 H new ATOM 0 HB2 GLN A 82 -4.738 5.443 -16.294 1.00 33.54 H new ATOM 0 HB3 GLN A 82 -3.471 6.464 -15.644 1.00 33.54 H new ATOM 0 HG2 GLN A 82 -5.730 6.022 -13.787 1.00 42.24 H new ATOM 0 HG3 GLN A 82 -4.873 4.559 -14.230 1.00 42.24 H new ATOM 0 HE21 GLN A 82 -3.647 4.072 -12.492 1.00 74.42 H new ATOM 0 HE22 GLN A 82 -2.502 5.178 -11.727 1.00 74.42 H new ATOM 930 N GLU A 83 -3.860 9.259 -16.461 1.00 74.44 N ATOM 931 CA GLU A 83 -3.072 10.464 -16.234 1.00 13.20 C ATOM 932 C GLU A 83 -3.952 11.600 -15.720 1.00 50.32 C ATOM 933 O GLU A 83 -3.660 12.209 -14.690 1.00 73.55 O ATOM 934 CB GLU A 83 -2.370 10.892 -17.524 1.00 42.02 C ATOM 935 CG GLU A 83 -0.904 10.496 -17.579 1.00 2.40 C ATOM 936 CD GLU A 83 -0.029 11.377 -16.708 1.00 0.00 C ATOM 937 OE1 GLU A 83 -0.077 12.613 -16.876 1.00 11.43 O ATOM 938 OE2 GLU A 83 0.704 10.829 -15.858 1.00 72.20 O ATOM 0 H GLU A 83 -3.798 8.887 -17.409 1.00 74.44 H new ATOM 0 HA GLU A 83 -2.320 10.239 -15.478 1.00 13.20 H new ATOM 0 HB2 GLU A 83 -2.889 10.450 -18.374 1.00 42.02 H new ATOM 0 HB3 GLU A 83 -2.450 11.974 -17.629 1.00 42.02 H new ATOM 0 HG2 GLU A 83 -0.799 9.459 -17.261 1.00 2.40 H new ATOM 0 HG3 GLU A 83 -0.555 10.550 -18.610 1.00 2.40 H new ATOM 945 N SER A 84 -5.030 11.881 -16.446 1.00 3.02 N ATOM 946 CA SER A 84 -5.950 12.947 -16.067 1.00 32.42 C ATOM 947 C SER A 84 -6.785 12.538 -14.857 1.00 54.21 C ATOM 948 O SER A 84 -6.961 13.315 -13.919 1.00 44.32 O ATOM 949 CB SER A 84 -6.868 13.298 -17.239 1.00 60.44 C ATOM 950 OG SER A 84 -6.431 14.476 -17.894 1.00 0.10 O ATOM 0 H SER A 84 -5.287 11.385 -17.300 1.00 3.02 H new ATOM 0 HA SER A 84 -5.361 13.825 -15.801 1.00 32.42 H new ATOM 0 HB2 SER A 84 -6.890 12.471 -17.948 1.00 60.44 H new ATOM 0 HB3 SER A 84 -7.887 13.436 -16.878 1.00 60.44 H new ATOM 0 HG SER A 84 -7.033 14.678 -18.640 1.00 0.10 H new ATOM 956 N ALA A 85 -7.299 11.313 -14.887 1.00 23.31 N ATOM 957 CA ALA A 85 -8.114 10.799 -13.793 1.00 42.11 C ATOM 958 C ALA A 85 -7.394 10.945 -12.457 1.00 20.33 C ATOM 959 O ALA A 85 -7.922 11.542 -11.520 1.00 12.35 O ATOM 960 CB ALA A 85 -8.476 9.343 -14.044 1.00 31.34 C ATOM 0 H ALA A 85 -7.165 10.658 -15.657 1.00 23.31 H new ATOM 0 HA ALA A 85 -9.031 11.387 -13.748 1.00 42.11 H new ATOM 0 HB1 ALA A 85 -9.085 8.972 -13.219 1.00 31.34 H new ATOM 0 HB2 ALA A 85 -9.038 9.263 -14.974 1.00 31.34 H new ATOM 0 HB3 ALA A 85 -7.565 8.749 -14.118 1.00 31.34 H new ATOM 966 N GLN A 86 -6.187 10.394 -12.377 1.00 1.21 N ATOM 967 CA GLN A 86 -5.396 10.462 -11.154 1.00 11.43 C ATOM 968 C GLN A 86 -5.255 11.904 -10.676 1.00 40.04 C ATOM 969 O GLN A 86 -5.352 12.185 -9.482 1.00 62.12 O ATOM 970 CB GLN A 86 -4.013 9.850 -11.381 1.00 2.21 C ATOM 971 CG GLN A 86 -3.069 10.026 -10.203 1.00 3.15 C ATOM 972 CD GLN A 86 -2.227 11.282 -10.311 1.00 52.54 C ATOM 973 OE1 GLN A 86 -2.526 12.300 -9.686 1.00 33.03 O ATOM 974 NE2 GLN A 86 -1.167 11.218 -11.109 1.00 12.15 N ATOM 0 H GLN A 86 -5.736 9.896 -13.144 1.00 1.21 H new ATOM 0 HA GLN A 86 -5.915 9.892 -10.383 1.00 11.43 H new ATOM 0 HB2 GLN A 86 -4.126 8.786 -11.590 1.00 2.21 H new ATOM 0 HB3 GLN A 86 -3.565 10.303 -12.266 1.00 2.21 H new ATOM 0 HG2 GLN A 86 -3.648 10.060 -9.280 1.00 3.15 H new ATOM 0 HG3 GLN A 86 -2.413 9.158 -10.136 1.00 3.15 H new ATOM 0 HE21 GLN A 86 -0.956 10.354 -11.608 1.00 12.15 H new ATOM 0 HE22 GLN A 86 -0.564 12.033 -11.222 1.00 12.15 H new ATOM 983 N ALA A 87 -5.025 12.814 -11.617 1.00 73.14 N ATOM 984 CA ALA A 87 -4.872 14.227 -11.293 1.00 35.31 C ATOM 985 C ALA A 87 -6.123 14.772 -10.611 1.00 61.23 C ATOM 986 O ALA A 87 -6.041 15.421 -9.569 1.00 4.53 O ATOM 987 CB ALA A 87 -4.563 15.026 -12.550 1.00 0.43 C ATOM 0 H ALA A 87 -4.941 12.598 -12.610 1.00 73.14 H new ATOM 0 HA ALA A 87 -4.038 14.327 -10.598 1.00 35.31 H new ATOM 0 HB1 ALA A 87 -4.451 16.079 -12.293 1.00 0.43 H new ATOM 0 HB2 ALA A 87 -3.637 14.661 -12.995 1.00 0.43 H new ATOM 0 HB3 ALA A 87 -5.379 14.911 -13.264 1.00 0.43 H new ATOM 993 N PHE A 88 -7.280 14.504 -11.207 1.00 33.11 N ATOM 994 CA PHE A 88 -8.548 14.969 -10.658 1.00 15.33 C ATOM 995 C PHE A 88 -8.843 14.294 -9.322 1.00 33.53 C ATOM 996 O PHE A 88 -9.415 14.903 -8.418 1.00 30.14 O ATOM 997 CB PHE A 88 -9.687 14.695 -11.643 1.00 5.01 C ATOM 998 CG PHE A 88 -11.052 14.929 -11.062 1.00 43.21 C ATOM 999 CD1 PHE A 88 -11.715 13.917 -10.388 1.00 31.24 C ATOM 1000 CD2 PHE A 88 -11.671 16.162 -11.190 1.00 75.20 C ATOM 1001 CE1 PHE A 88 -12.972 14.130 -9.853 1.00 23.50 C ATOM 1002 CE2 PHE A 88 -12.928 16.381 -10.657 1.00 61.50 C ATOM 1003 CZ PHE A 88 -13.578 15.363 -9.987 1.00 13.23 C ATOM 0 H PHE A 88 -7.366 13.967 -12.070 1.00 33.11 H new ATOM 0 HA PHE A 88 -8.471 16.044 -10.493 1.00 15.33 H new ATOM 0 HB2 PHE A 88 -9.560 15.331 -12.519 1.00 5.01 H new ATOM 0 HB3 PHE A 88 -9.619 13.663 -11.986 1.00 5.01 H new ATOM 0 HD1 PHE A 88 -11.245 12.951 -10.279 1.00 31.24 H new ATOM 0 HD2 PHE A 88 -11.166 16.961 -11.712 1.00 75.20 H new ATOM 0 HE1 PHE A 88 -13.479 13.332 -9.331 1.00 23.50 H new ATOM 0 HE2 PHE A 88 -13.401 17.346 -10.764 1.00 61.50 H new ATOM 0 HZ PHE A 88 -14.559 15.531 -9.568 1.00 13.23 H new ATOM 1013 N VAL A 89 -8.449 13.029 -9.205 1.00 51.31 N ATOM 1014 CA VAL A 89 -8.670 12.270 -7.980 1.00 60.44 C ATOM 1015 C VAL A 89 -7.909 12.881 -6.809 1.00 52.44 C ATOM 1016 O VAL A 89 -8.455 13.043 -5.719 1.00 34.33 O ATOM 1017 CB VAL A 89 -8.240 10.800 -8.146 1.00 43.03 C ATOM 1018 CG1 VAL A 89 -8.393 10.047 -6.834 1.00 35.03 C ATOM 1019 CG2 VAL A 89 -9.043 10.131 -9.251 1.00 54.53 C ATOM 0 H VAL A 89 -7.975 12.509 -9.944 1.00 51.31 H new ATOM 0 HA VAL A 89 -9.740 12.308 -7.773 1.00 60.44 H new ATOM 0 HB VAL A 89 -7.188 10.778 -8.429 1.00 43.03 H new ATOM 0 HG11 VAL A 89 -8.084 9.011 -6.971 1.00 35.03 H new ATOM 0 HG12 VAL A 89 -7.769 10.514 -6.072 1.00 35.03 H new ATOM 0 HG13 VAL A 89 -9.436 10.076 -6.517 1.00 35.03 H new ATOM 0 HG21 VAL A 89 -8.726 9.093 -9.354 1.00 54.53 H new ATOM 0 HG22 VAL A 89 -10.103 10.163 -9.001 1.00 54.53 H new ATOM 0 HG23 VAL A 89 -8.876 10.657 -10.191 1.00 54.53 H new ATOM 1029 N GLU A 90 -6.645 13.220 -7.044 1.00 54.42 N ATOM 1030 CA GLU A 90 -5.809 13.815 -6.008 1.00 35.44 C ATOM 1031 C GLU A 90 -6.085 15.310 -5.877 1.00 34.32 C ATOM 1032 O GLU A 90 -5.809 15.914 -4.841 1.00 45.44 O ATOM 1033 CB GLU A 90 -4.330 13.583 -6.320 1.00 45.40 C ATOM 1034 CG GLU A 90 -3.990 12.133 -6.617 1.00 64.43 C ATOM 1035 CD GLU A 90 -4.004 11.264 -5.375 1.00 33.42 C ATOM 1036 OE1 GLU A 90 -3.083 11.404 -4.543 1.00 34.43 O ATOM 1037 OE2 GLU A 90 -4.936 10.444 -5.234 1.00 63.23 O ATOM 0 H GLU A 90 -6.178 13.093 -7.942 1.00 54.42 H new ATOM 0 HA GLU A 90 -6.053 13.335 -5.060 1.00 35.44 H new ATOM 0 HB2 GLU A 90 -4.048 14.196 -7.176 1.00 45.40 H new ATOM 0 HB3 GLU A 90 -3.732 13.922 -5.474 1.00 45.40 H new ATOM 0 HG2 GLU A 90 -4.703 11.738 -7.341 1.00 64.43 H new ATOM 0 HG3 GLU A 90 -3.005 12.082 -7.080 1.00 64.43 H new ATOM 1044 N ALA A 91 -6.632 15.899 -6.935 1.00 14.31 N ATOM 1045 CA ALA A 91 -6.947 17.322 -6.939 1.00 13.54 C ATOM 1046 C ALA A 91 -8.192 17.611 -6.107 1.00 12.43 C ATOM 1047 O ALA A 91 -8.387 18.730 -5.630 1.00 23.21 O ATOM 1048 CB ALA A 91 -7.137 17.817 -8.365 1.00 4.42 C ATOM 0 H ALA A 91 -6.866 15.413 -7.800 1.00 14.31 H new ATOM 0 HA ALA A 91 -6.109 17.855 -6.490 1.00 13.54 H new ATOM 0 HB1 ALA A 91 -7.372 18.881 -8.352 1.00 4.42 H new ATOM 0 HB2 ALA A 91 -6.220 17.654 -8.932 1.00 4.42 H new ATOM 0 HB3 ALA A 91 -7.955 17.271 -8.834 1.00 4.42 H new ATOM 1054 N PHE A 92 -9.033 16.597 -5.937 1.00 32.33 N ATOM 1055 CA PHE A 92 -10.261 16.743 -5.163 1.00 60.45 C ATOM 1056 C PHE A 92 -10.329 15.702 -4.049 1.00 43.50 C ATOM 1057 O PHE A 92 -11.332 15.599 -3.343 1.00 44.14 O ATOM 1058 CB PHE A 92 -11.482 16.609 -6.076 1.00 11.43 C ATOM 1059 CG PHE A 92 -11.680 17.786 -6.988 1.00 14.45 C ATOM 1060 CD1 PHE A 92 -10.774 18.055 -8.000 1.00 40.33 C ATOM 1061 CD2 PHE A 92 -12.773 18.624 -6.831 1.00 40.14 C ATOM 1062 CE1 PHE A 92 -10.954 19.137 -8.841 1.00 44.45 C ATOM 1063 CE2 PHE A 92 -12.958 19.707 -7.670 1.00 10.33 C ATOM 1064 CZ PHE A 92 -12.047 19.965 -8.675 1.00 63.01 C ATOM 0 H PHE A 92 -8.887 15.665 -6.325 1.00 32.33 H new ATOM 0 HA PHE A 92 -10.260 17.735 -4.710 1.00 60.45 H new ATOM 0 HB2 PHE A 92 -11.378 15.706 -6.678 1.00 11.43 H new ATOM 0 HB3 PHE A 92 -12.373 16.482 -5.461 1.00 11.43 H new ATOM 0 HD1 PHE A 92 -9.917 17.412 -8.134 1.00 40.33 H new ATOM 0 HD2 PHE A 92 -13.487 18.429 -6.045 1.00 40.14 H new ATOM 0 HE1 PHE A 92 -10.241 19.335 -9.627 1.00 44.45 H new ATOM 0 HE2 PHE A 92 -13.815 20.351 -7.539 1.00 10.33 H new ATOM 0 HZ PHE A 92 -12.189 20.812 -9.330 1.00 63.01 H new ATOM 1074 N GLN A 93 -9.254 14.934 -3.899 1.00 15.45 N ATOM 1075 CA GLN A 93 -9.192 13.901 -2.871 1.00 54.53 C ATOM 1076 C GLN A 93 -9.626 14.454 -1.517 1.00 61.53 C ATOM 1077 O GLN A 93 -10.218 13.743 -0.706 1.00 61.54 O ATOM 1078 CB GLN A 93 -7.775 13.334 -2.774 1.00 33.21 C ATOM 1079 CG GLN A 93 -7.530 12.524 -1.511 1.00 61.43 C ATOM 1080 CD GLN A 93 -6.137 11.928 -1.462 1.00 22.13 C ATOM 1081 OE1 GLN A 93 -5.934 10.764 -1.810 1.00 1.23 O ATOM 1082 NE2 GLN A 93 -5.167 12.725 -1.028 1.00 30.40 N ATOM 0 H GLN A 93 -8.416 15.007 -4.475 1.00 15.45 H new ATOM 0 HA GLN A 93 -9.877 13.101 -3.152 1.00 54.53 H new ATOM 0 HB2 GLN A 93 -7.584 12.704 -3.643 1.00 33.21 H new ATOM 0 HB3 GLN A 93 -7.060 14.156 -2.813 1.00 33.21 H new ATOM 0 HG2 GLN A 93 -7.679 13.162 -0.640 1.00 61.43 H new ATOM 0 HG3 GLN A 93 -8.266 11.723 -1.449 1.00 61.43 H new ATOM 0 HE21 GLN A 93 -5.380 13.683 -0.750 1.00 30.40 H new ATOM 0 HE22 GLN A 93 -4.209 12.379 -0.973 1.00 30.40 H new ATOM 1091 N GLY A 94 -9.326 15.727 -1.279 1.00 71.12 N ATOM 1092 CA GLY A 94 -9.692 16.353 -0.022 1.00 21.41 C ATOM 1093 C GLY A 94 -10.334 17.712 -0.216 1.00 33.31 C ATOM 1094 O GLY A 94 -9.801 18.728 0.231 1.00 33.43 O ATOM 0 H GLY A 94 -8.836 16.336 -1.934 1.00 71.12 H new ATOM 0 HA2 GLY A 94 -10.381 15.703 0.517 1.00 21.41 H new ATOM 0 HA3 GLY A 94 -8.803 16.460 0.599 1.00 21.41 H new ATOM 1098 N TYR A 95 -11.481 17.732 -0.886 1.00 33.24 N ATOM 1099 CA TYR A 95 -12.195 18.977 -1.142 1.00 11.14 C ATOM 1100 C TYR A 95 -13.680 18.830 -0.822 1.00 63.35 C ATOM 1101 O TYR A 95 -14.317 17.832 -1.159 1.00 74.23 O ATOM 1102 CB TYR A 95 -12.015 19.402 -2.600 1.00 73.10 C ATOM 1103 CG TYR A 95 -12.788 20.649 -2.967 1.00 63.22 C ATOM 1104 CD1 TYR A 95 -14.130 20.580 -3.318 1.00 74.42 C ATOM 1105 CD2 TYR A 95 -12.175 21.896 -2.964 1.00 71.31 C ATOM 1106 CE1 TYR A 95 -14.840 21.716 -3.655 1.00 72.01 C ATOM 1107 CE2 TYR A 95 -12.877 23.037 -3.298 1.00 53.50 C ATOM 1108 CZ TYR A 95 -14.209 22.942 -3.643 1.00 54.50 C ATOM 1109 OH TYR A 95 -14.912 24.077 -3.978 1.00 0.33 O ATOM 0 H TYR A 95 -11.936 16.900 -1.262 1.00 33.24 H new ATOM 0 HA TYR A 95 -11.777 19.746 -0.492 1.00 11.14 H new ATOM 0 HB2 TYR A 95 -10.956 19.572 -2.792 1.00 73.10 H new ATOM 0 HB3 TYR A 95 -12.330 18.585 -3.249 1.00 73.10 H new ATOM 0 HD1 TYR A 95 -14.627 19.621 -3.328 1.00 74.42 H new ATOM 0 HD2 TYR A 95 -11.132 21.974 -2.696 1.00 71.31 H new ATOM 0 HE1 TYR A 95 -15.883 21.644 -3.926 1.00 72.01 H new ATOM 0 HE2 TYR A 95 -12.386 23.999 -3.289 1.00 53.50 H new ATOM 0 HH TYR A 95 -14.322 24.857 -3.918 1.00 0.33 H new ATOM 1119 N PRO A 96 -14.245 19.848 -0.157 1.00 24.01 N ATOM 1120 CA PRO A 96 -15.661 19.857 0.222 1.00 3.31 C ATOM 1121 C PRO A 96 -16.582 20.005 -0.984 1.00 15.45 C ATOM 1122 O PRO A 96 -16.719 21.093 -1.543 1.00 40.53 O ATOM 1123 CB PRO A 96 -15.775 21.080 1.136 1.00 32.11 C ATOM 1124 CG PRO A 96 -14.663 21.975 0.712 1.00 5.32 C ATOM 1125 CD PRO A 96 -13.545 21.069 0.276 1.00 24.15 C ATOM 0 HA PRO A 96 -15.963 18.923 0.697 1.00 3.31 H new ATOM 0 HB2 PRO A 96 -16.742 21.570 1.023 1.00 32.11 H new ATOM 0 HB3 PRO A 96 -15.680 20.800 2.185 1.00 32.11 H new ATOM 0 HG2 PRO A 96 -14.977 22.628 -0.103 1.00 5.32 H new ATOM 0 HG3 PRO A 96 -14.346 22.619 1.532 1.00 5.32 H new ATOM 0 HD2 PRO A 96 -12.965 21.509 -0.535 1.00 24.15 H new ATOM 0 HD3 PRO A 96 -12.851 20.866 1.091 1.00 24.15 H new ATOM 1133 N PHE A 97 -17.214 18.905 -1.379 1.00 23.24 N ATOM 1134 CA PHE A 97 -18.123 18.912 -2.519 1.00 2.42 C ATOM 1135 C PHE A 97 -19.436 18.218 -2.172 1.00 33.32 C ATOM 1136 O PHE A 97 -19.460 17.271 -1.386 1.00 71.21 O ATOM 1137 CB PHE A 97 -17.472 18.226 -3.722 1.00 0.14 C ATOM 1138 CG PHE A 97 -18.369 18.145 -4.924 1.00 11.45 C ATOM 1139 CD1 PHE A 97 -18.956 19.287 -5.445 1.00 3.34 C ATOM 1140 CD2 PHE A 97 -18.626 16.927 -5.532 1.00 12.30 C ATOM 1141 CE1 PHE A 97 -19.781 19.217 -6.551 1.00 34.32 C ATOM 1142 CE2 PHE A 97 -19.451 16.851 -6.639 1.00 24.44 C ATOM 1143 CZ PHE A 97 -20.030 17.996 -7.148 1.00 1.41 C ATOM 0 H PHE A 97 -17.113 17.997 -0.926 1.00 23.24 H new ATOM 0 HA PHE A 97 -18.338 19.950 -2.774 1.00 2.42 H new ATOM 0 HB2 PHE A 97 -16.565 18.767 -3.991 1.00 0.14 H new ATOM 0 HB3 PHE A 97 -17.169 17.219 -3.436 1.00 0.14 H new ATOM 0 HD1 PHE A 97 -18.766 20.244 -4.981 1.00 3.34 H new ATOM 0 HD2 PHE A 97 -18.177 16.027 -5.137 1.00 12.30 H new ATOM 0 HE1 PHE A 97 -20.231 20.115 -6.948 1.00 34.32 H new ATOM 0 HE2 PHE A 97 -19.642 15.896 -7.105 1.00 24.44 H new ATOM 0 HZ PHE A 97 -20.676 17.938 -8.011 1.00 1.41 H new ATOM 1153 N GLN A 98 -20.526 18.696 -2.763 1.00 51.23 N ATOM 1154 CA GLN A 98 -21.843 18.122 -2.516 1.00 15.22 C ATOM 1155 C GLN A 98 -22.182 18.158 -1.029 1.00 73.12 C ATOM 1156 O GLN A 98 -22.989 17.364 -0.547 1.00 11.20 O ATOM 1157 CB GLN A 98 -21.900 16.683 -3.030 1.00 35.44 C ATOM 1158 CG GLN A 98 -22.275 16.575 -4.499 1.00 45.41 C ATOM 1159 CD GLN A 98 -23.623 17.196 -4.805 1.00 35.03 C ATOM 1160 OE1 GLN A 98 -24.614 16.900 -3.972 1.00 60.52 O flip ATOM 1161 NE2 GLN A 98 -23.774 17.934 -5.779 1.00 31.35 N flip ATOM 0 H GLN A 98 -20.523 19.479 -3.416 1.00 51.23 H new ATOM 0 HA GLN A 98 -22.579 18.721 -3.052 1.00 15.22 H new ATOM 0 HB2 GLN A 98 -20.929 16.213 -2.876 1.00 35.44 H new ATOM 0 HB3 GLN A 98 -22.623 16.123 -2.437 1.00 35.44 H new ATOM 0 HG2 GLN A 98 -21.509 17.063 -5.102 1.00 45.41 H new ATOM 0 HG3 GLN A 98 -22.289 15.525 -4.790 1.00 45.41 H new ATOM 0 HE21 GLN A 98 -22.985 18.135 -6.394 1.00 31.35 H new ATOM 0 HE22 GLN A 98 -24.688 18.344 -5.971 1.00 31.35 H new ATOM 1170 N GLY A 99 -21.559 19.084 -0.307 1.00 53.52 N ATOM 1171 CA GLY A 99 -21.808 19.206 1.117 1.00 23.25 C ATOM 1172 C GLY A 99 -20.527 19.295 1.924 1.00 73.02 C ATOM 1173 O GLY A 99 -20.301 20.273 2.635 1.00 44.03 O ATOM 0 H GLY A 99 -20.886 19.752 -0.683 1.00 53.52 H new ATOM 0 HA2 GLY A 99 -22.413 20.094 1.302 1.00 23.25 H new ATOM 0 HA3 GLY A 99 -22.389 18.348 1.456 1.00 23.25 H new ATOM 1177 N ASN A 100 -19.688 18.270 1.814 1.00 33.15 N ATOM 1178 CA ASN A 100 -18.424 18.236 2.541 1.00 35.34 C ATOM 1179 C ASN A 100 -17.661 16.948 2.245 1.00 12.32 C ATOM 1180 O ASN A 100 -16.546 16.964 1.723 1.00 55.41 O ATOM 1181 CB ASN A 100 -18.674 18.359 4.046 1.00 51.21 C ATOM 1182 CG ASN A 100 -18.211 19.692 4.601 1.00 4.13 C ATOM 1183 OD1 ASN A 100 -19.023 20.541 4.967 1.00 55.32 O ATOM 1184 ND2 ASN A 100 -16.898 19.881 4.667 1.00 42.22 N ATOM 0 H ASN A 100 -19.860 17.452 1.229 1.00 33.15 H new ATOM 0 HA ASN A 100 -17.820 19.080 2.209 1.00 35.34 H new ATOM 0 HB2 ASN A 100 -19.738 18.235 4.246 1.00 51.21 H new ATOM 0 HB3 ASN A 100 -18.156 17.553 4.565 1.00 51.21 H new ATOM 0 HD21 ASN A 100 -16.527 20.758 5.033 1.00 42.22 H new ATOM 0 HD22 ASN A 100 -16.261 19.149 4.352 1.00 42.22 H new ATOM 1191 N PRO A 101 -18.275 15.805 2.586 1.00 43.13 N ATOM 1192 CA PRO A 101 -17.672 14.487 2.365 1.00 51.23 C ATOM 1193 C PRO A 101 -17.601 14.123 0.886 1.00 62.03 C ATOM 1194 O PRO A 101 -18.620 13.833 0.257 1.00 1.04 O ATOM 1195 CB PRO A 101 -18.617 13.537 3.105 1.00 63.35 C ATOM 1196 CG PRO A 101 -19.927 14.245 3.125 1.00 11.13 C ATOM 1197 CD PRO A 101 -19.604 15.711 3.212 1.00 10.11 C ATOM 0 HA PRO A 101 -16.641 14.445 2.717 1.00 51.23 H new ATOM 0 HB2 PRO A 101 -18.694 12.577 2.594 1.00 63.35 H new ATOM 0 HB3 PRO A 101 -18.262 13.333 4.115 1.00 63.35 H new ATOM 0 HG2 PRO A 101 -20.503 14.025 2.226 1.00 11.13 H new ATOM 0 HG3 PRO A 101 -20.530 13.927 3.976 1.00 11.13 H new ATOM 0 HD2 PRO A 101 -20.341 16.317 2.684 1.00 10.11 H new ATOM 0 HD3 PRO A 101 -19.587 16.058 4.245 1.00 10.11 H new ATOM 1205 N LEU A 102 -16.392 14.139 0.335 1.00 51.32 N ATOM 1206 CA LEU A 102 -16.188 13.810 -1.072 1.00 22.15 C ATOM 1207 C LEU A 102 -15.047 12.811 -1.237 1.00 2.13 C ATOM 1208 O LEU A 102 -13.923 13.058 -0.797 1.00 74.45 O ATOM 1209 CB LEU A 102 -15.891 15.077 -1.875 1.00 13.52 C ATOM 1210 CG LEU A 102 -15.384 14.865 -3.302 1.00 31.25 C ATOM 1211 CD1 LEU A 102 -16.487 14.296 -4.181 1.00 22.22 C ATOM 1212 CD2 LEU A 102 -14.858 16.170 -3.881 1.00 22.15 C ATOM 0 H LEU A 102 -15.538 14.376 0.841 1.00 51.32 H new ATOM 0 HA LEU A 102 -17.104 13.355 -1.450 1.00 22.15 H new ATOM 0 HB2 LEU A 102 -16.800 15.676 -1.919 1.00 13.52 H new ATOM 0 HB3 LEU A 102 -15.150 15.662 -1.331 1.00 13.52 H new ATOM 0 HG LEU A 102 -14.564 14.147 -3.273 1.00 31.25 H new ATOM 0 HD11 LEU A 102 -16.108 14.152 -5.193 1.00 22.22 H new ATOM 0 HD12 LEU A 102 -16.817 13.339 -3.777 1.00 22.22 H new ATOM 0 HD13 LEU A 102 -17.328 14.989 -4.204 1.00 22.22 H new ATOM 0 HD21 LEU A 102 -14.501 16.000 -4.897 1.00 22.15 H new ATOM 0 HD22 LEU A 102 -15.658 16.910 -3.896 1.00 22.15 H new ATOM 0 HD23 LEU A 102 -14.037 16.537 -3.265 1.00 22.15 H new ATOM 1224 N VAL A 103 -15.342 11.683 -1.875 1.00 13.02 N ATOM 1225 CA VAL A 103 -14.341 10.648 -2.101 1.00 63.04 C ATOM 1226 C VAL A 103 -14.146 10.389 -3.591 1.00 22.50 C ATOM 1227 O VAL A 103 -15.113 10.297 -4.347 1.00 34.40 O ATOM 1228 CB VAL A 103 -14.730 9.329 -1.408 1.00 72.23 C ATOM 1229 CG1 VAL A 103 -15.954 8.717 -2.073 1.00 13.52 C ATOM 1230 CG2 VAL A 103 -13.562 8.354 -1.424 1.00 53.11 C ATOM 0 H VAL A 103 -16.267 11.463 -2.245 1.00 13.02 H new ATOM 0 HA VAL A 103 -13.407 11.012 -1.673 1.00 63.04 H new ATOM 0 HB VAL A 103 -14.980 9.545 -0.369 1.00 72.23 H new ATOM 0 HG11 VAL A 103 -16.214 7.786 -1.570 1.00 13.52 H new ATOM 0 HG12 VAL A 103 -16.791 9.412 -2.005 1.00 13.52 H new ATOM 0 HG13 VAL A 103 -15.735 8.514 -3.121 1.00 13.52 H new ATOM 0 HG21 VAL A 103 -13.855 7.427 -0.930 1.00 53.11 H new ATOM 0 HG22 VAL A 103 -13.279 8.142 -2.455 1.00 53.11 H new ATOM 0 HG23 VAL A 103 -12.714 8.793 -0.898 1.00 53.11 H new ATOM 1240 N ILE A 104 -12.889 10.271 -4.006 1.00 30.01 N ATOM 1241 CA ILE A 104 -12.567 10.020 -5.405 1.00 54.33 C ATOM 1242 C ILE A 104 -11.475 8.965 -5.538 1.00 20.33 C ATOM 1243 O ILE A 104 -10.391 9.101 -4.969 1.00 51.33 O ATOM 1244 CB ILE A 104 -12.111 11.307 -6.117 1.00 41.43 C ATOM 1245 CG1 ILE A 104 -11.453 12.262 -5.119 1.00 42.33 C ATOM 1246 CG2 ILE A 104 -13.291 11.980 -6.803 1.00 65.04 C ATOM 1247 CD1 ILE A 104 -12.436 13.167 -4.410 1.00 71.11 C ATOM 0 H ILE A 104 -12.077 10.345 -3.393 1.00 30.01 H new ATOM 0 HA ILE A 104 -13.479 9.656 -5.878 1.00 54.33 H new ATOM 0 HB ILE A 104 -11.376 11.043 -6.877 1.00 41.43 H new ATOM 0 HG12 ILE A 104 -10.907 11.679 -4.377 1.00 42.33 H new ATOM 0 HG13 ILE A 104 -10.721 12.875 -5.644 1.00 42.33 H new ATOM 0 HG21 ILE A 104 -12.952 12.888 -7.302 1.00 65.04 H new ATOM 0 HG22 ILE A 104 -13.720 11.300 -7.539 1.00 65.04 H new ATOM 0 HG23 ILE A 104 -14.047 12.234 -6.060 1.00 65.04 H new ATOM 0 HD11 ILE A 104 -11.899 13.816 -3.718 1.00 71.11 H new ATOM 0 HD12 ILE A 104 -12.964 13.776 -5.144 1.00 71.11 H new ATOM 0 HD13 ILE A 104 -13.154 12.562 -3.856 1.00 71.11 H new ATOM 1259 N THR A 105 -11.766 7.911 -6.294 1.00 35.31 N ATOM 1260 CA THR A 105 -10.810 6.831 -6.502 1.00 45.54 C ATOM 1261 C THR A 105 -10.929 6.255 -7.909 1.00 4.05 C ATOM 1262 O THR A 105 -11.885 6.542 -8.629 1.00 44.22 O ATOM 1263 CB THR A 105 -11.008 5.699 -5.477 1.00 43.11 C ATOM 1264 OG1 THR A 105 -12.371 5.261 -5.489 1.00 22.23 O ATOM 1265 CG2 THR A 105 -10.631 6.163 -4.078 1.00 42.54 C ATOM 0 H THR A 105 -12.657 7.783 -6.773 1.00 35.31 H new ATOM 0 HA THR A 105 -9.816 7.259 -6.370 1.00 45.54 H new ATOM 0 HB THR A 105 -10.358 4.869 -5.754 1.00 43.11 H new ATOM 0 HG1 THR A 105 -12.489 4.540 -4.836 1.00 22.23 H new ATOM 0 HG21 THR A 105 -10.779 5.346 -3.372 1.00 42.54 H new ATOM 0 HG22 THR A 105 -9.585 6.468 -4.066 1.00 42.54 H new ATOM 0 HG23 THR A 105 -11.259 7.007 -3.793 1.00 42.54 H new ATOM 1273 N PHE A 106 -9.952 5.440 -8.293 1.00 73.34 N ATOM 1274 CA PHE A 106 -9.948 4.823 -9.615 1.00 21.44 C ATOM 1275 C PHE A 106 -10.916 3.644 -9.668 1.00 2.23 C ATOM 1276 O PHE A 106 -11.703 3.432 -8.746 1.00 32.23 O ATOM 1277 CB PHE A 106 -8.537 4.355 -9.978 1.00 21.03 C ATOM 1278 CG PHE A 106 -7.498 5.433 -9.856 1.00 53.24 C ATOM 1279 CD1 PHE A 106 -7.294 6.336 -10.888 1.00 32.05 C ATOM 1280 CD2 PHE A 106 -6.727 5.544 -8.711 1.00 45.41 C ATOM 1281 CE1 PHE A 106 -6.339 7.328 -10.779 1.00 4.43 C ATOM 1282 CE2 PHE A 106 -5.770 6.535 -8.596 1.00 44.23 C ATOM 1283 CZ PHE A 106 -5.576 7.429 -9.631 1.00 53.02 C ATOM 0 H PHE A 106 -9.154 5.192 -7.709 1.00 73.34 H new ATOM 0 HA PHE A 106 -10.273 5.571 -10.338 1.00 21.44 H new ATOM 0 HB2 PHE A 106 -8.262 3.521 -9.332 1.00 21.03 H new ATOM 0 HB3 PHE A 106 -8.540 3.978 -11.001 1.00 21.03 H new ATOM 0 HD1 PHE A 106 -7.888 6.263 -11.787 1.00 32.05 H new ATOM 0 HD2 PHE A 106 -6.875 4.848 -7.898 1.00 45.41 H new ATOM 0 HE1 PHE A 106 -6.189 8.024 -11.591 1.00 4.43 H new ATOM 0 HE2 PHE A 106 -5.175 6.610 -7.698 1.00 44.23 H new ATOM 0 HZ PHE A 106 -4.830 8.205 -9.543 1.00 53.02 H new