USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 568 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 9 SER OG : rot 87:sc= 0.00191 USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= -3.61 F(o=-10!,f=-3.6) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HE2:sc= -0.409 K(o=-0.41,f=-1.3) USER MOD Single : A 24 ASN : amide:sc= -3.19! C(o=-3.2!,f=-3.3!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -3.57! C(o=-3.6!,f=-3.6!) USER MOD Single : A 70 ASN :FLIP amide:sc= 1.1 F(o=-3.1!,f=1.1) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc=0.000792 USER MOD Single : A 79 HIS :FLIP no HD1:sc= -2.4 F(o=-3.4!,f=-2.4) USER MOD Single : A 81 GLN : amide:sc=-0.00691 X(o=-0.0069,f=-0.092) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot -99:sc= 1.01 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 -13.267 -6.199 -0.023 1.00 0.00 N ATOM 67 CA LYS A 8 -13.306 -5.396 -1.233 1.00 0.00 C ATOM 68 C LYS A 8 -11.914 -4.823 -1.506 1.00 0.00 C ATOM 69 O LYS A 8 -11.132 -4.615 -0.579 1.00 0.00 O ATOM 70 CB LYS A 8 -14.401 -4.331 -1.134 1.00 0.00 C ATOM 71 CG LYS A 8 -15.529 -4.610 -2.129 1.00 0.00 C ATOM 72 CD LYS A 8 -16.675 -5.371 -1.459 1.00 0.00 C ATOM 73 CE LYS A 8 -17.843 -5.568 -2.428 1.00 0.00 C ATOM 74 NZ LYS A 8 -18.367 -6.949 -2.334 1.00 0.00 N ATOM 0 HA LYS A 8 -13.570 -6.014 -2.091 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.802 -4.310 -0.121 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.975 -3.347 -1.329 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.901 -3.670 -2.536 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.144 -5.190 -2.968 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.318 -6.341 -1.112 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -17.015 -4.823 -0.580 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -18.636 -4.856 -2.201 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -17.515 -5.366 -3.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -19.159 -7.066 -2.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -17.612 -7.624 -2.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -18.698 -7.129 -1.365 1.00 0.00 H new ATOM 88 N SER A 9 -11.646 -4.585 -2.781 1.00 0.00 N ATOM 89 CA SER A 9 -10.362 -4.040 -3.187 1.00 0.00 C ATOM 90 C SER A 9 -10.518 -2.571 -3.585 1.00 0.00 C ATOM 91 O SER A 9 -11.420 -2.224 -4.347 1.00 0.00 O ATOM 92 CB SER A 9 -9.764 -4.843 -4.344 1.00 0.00 C ATOM 93 OG SER A 9 -10.473 -4.632 -5.562 1.00 0.00 O ATOM 0 H SER A 9 -12.296 -4.760 -3.547 1.00 0.00 H new ATOM 0 HA SER A 9 -9.679 -4.109 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.720 -4.562 -4.479 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.779 -5.904 -4.095 1.00 0.00 H new ATOM 0 HG SER A 9 -10.107 -3.848 -6.022 1.00 0.00 H new ATOM 99 N LEU A 10 -9.627 -1.749 -3.053 1.00 0.00 N ATOM 100 CA LEU A 10 -9.655 -0.325 -3.343 1.00 0.00 C ATOM 101 C LEU A 10 -8.292 0.107 -3.887 1.00 0.00 C ATOM 102 O LEU A 10 -7.284 -0.556 -3.645 1.00 0.00 O ATOM 103 CB LEU A 10 -10.104 0.464 -2.112 1.00 0.00 C ATOM 104 CG LEU A 10 -11.160 -0.209 -1.232 1.00 0.00 C ATOM 105 CD1 LEU A 10 -11.297 0.514 0.109 1.00 0.00 C ATOM 106 CD2 LEU A 10 -12.498 -0.315 -1.966 1.00 0.00 C ATOM 0 H LEU A 10 -8.880 -2.041 -2.422 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.391 -0.108 -4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.227 0.672 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.496 1.425 -2.444 1.00 0.00 H new ATOM 0 HG LEU A 10 -10.829 -1.225 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.054 0.016 0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.341 0.494 0.633 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.594 1.548 -0.064 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -13.231 -0.797 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.848 0.683 -2.231 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -12.370 -0.907 -2.872 1.00 0.00 H new ATOM 118 N THR A 11 -8.304 1.216 -4.611 1.00 0.00 N ATOM 119 CA THR A 11 -7.081 1.745 -5.191 1.00 0.00 C ATOM 120 C THR A 11 -6.657 3.024 -4.467 1.00 0.00 C ATOM 121 O THR A 11 -7.498 3.847 -4.110 1.00 0.00 O ATOM 122 CB THR A 11 -7.316 1.944 -6.690 1.00 0.00 C ATOM 123 OG1 THR A 11 -8.141 0.843 -7.062 1.00 0.00 O ATOM 124 CG2 THR A 11 -6.041 1.750 -7.514 1.00 0.00 C ATOM 0 H THR A 11 -9.142 1.763 -4.810 1.00 0.00 H new ATOM 0 HA THR A 11 -6.251 1.049 -5.067 1.00 0.00 H new ATOM 0 HB THR A 11 -7.712 2.944 -6.865 1.00 0.00 H new ATOM 0 HG1 THR A 11 -8.343 0.895 -8.019 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.264 1.902 -8.570 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.288 2.470 -7.194 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.662 0.739 -7.365 1.00 0.00 H new ATOM 132 N LEU A 12 -5.352 3.151 -4.272 1.00 0.00 N ATOM 133 CA LEU A 12 -4.806 4.316 -3.597 1.00 0.00 C ATOM 134 C LEU A 12 -3.546 4.780 -4.330 1.00 0.00 C ATOM 135 O LEU A 12 -2.729 3.961 -4.748 1.00 0.00 O ATOM 136 CB LEU A 12 -4.581 4.019 -2.114 1.00 0.00 C ATOM 137 CG LEU A 12 -4.992 2.624 -1.639 1.00 0.00 C ATOM 138 CD1 LEU A 12 -3.793 1.674 -1.624 1.00 0.00 C ATOM 139 CD2 LEU A 12 -5.687 2.691 -0.277 1.00 0.00 C ATOM 0 H LEU A 12 -4.657 2.466 -4.570 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.516 5.143 -3.628 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.523 4.159 -1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.130 4.757 -1.529 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.713 2.221 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.113 0.690 -1.283 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.380 1.593 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.030 2.062 -0.949 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.969 1.686 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.008 3.124 0.457 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.580 3.311 -0.354 1.00 0.00 H new ATOM 151 N VAL A 13 -3.427 6.093 -4.463 1.00 0.00 N ATOM 152 CA VAL A 13 -2.279 6.676 -5.137 1.00 0.00 C ATOM 153 C VAL A 13 -1.274 7.165 -4.093 1.00 0.00 C ATOM 154 O VAL A 13 -1.580 8.055 -3.301 1.00 0.00 O ATOM 155 CB VAL A 13 -2.739 7.782 -6.090 1.00 0.00 C ATOM 156 CG1 VAL A 13 -2.677 9.151 -5.410 1.00 0.00 C ATOM 157 CG2 VAL A 13 -1.916 7.772 -7.379 1.00 0.00 C ATOM 0 H VAL A 13 -4.107 6.770 -4.116 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.774 5.928 -5.748 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.778 7.586 -6.355 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.009 9.919 -6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.326 9.152 -4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.652 9.358 -5.102 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.263 8.567 -8.039 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -0.864 7.931 -7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.033 6.810 -7.878 1.00 0.00 H new ATOM 167 N LEU A 14 -0.094 6.563 -4.127 1.00 0.00 N ATOM 168 CA LEU A 14 0.958 6.926 -3.193 1.00 0.00 C ATOM 169 C LEU A 14 2.022 7.747 -3.925 1.00 0.00 C ATOM 170 O LEU A 14 2.178 7.626 -5.139 1.00 0.00 O ATOM 171 CB LEU A 14 1.512 5.680 -2.499 1.00 0.00 C ATOM 172 CG LEU A 14 0.514 4.879 -1.662 1.00 0.00 C ATOM 173 CD1 LEU A 14 1.204 3.712 -0.953 1.00 0.00 C ATOM 174 CD2 LEU A 14 -0.231 5.786 -0.680 1.00 0.00 C ATOM 0 H LEU A 14 0.157 5.826 -4.787 1.00 0.00 H new ATOM 0 HA LEU A 14 0.561 7.555 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.930 5.020 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.336 5.984 -1.853 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.230 4.452 -2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.471 3.159 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.650 3.048 -1.694 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.983 4.096 -0.294 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.934 5.191 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.485 6.262 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.775 6.552 -1.233 1.00 0.00 H new ATOM 186 N HIS A 15 2.727 8.563 -3.156 1.00 0.00 N ATOM 187 CA HIS A 15 3.772 9.403 -3.716 1.00 0.00 C ATOM 188 C HIS A 15 5.059 9.229 -2.907 1.00 0.00 C ATOM 189 O HIS A 15 5.081 8.499 -1.918 1.00 0.00 O ATOM 190 CB HIS A 15 3.313 10.861 -3.794 1.00 0.00 C ATOM 191 CG HIS A 15 2.100 11.077 -4.666 1.00 0.00 C ATOM 192 ND1 HIS A 15 2.170 11.673 -5.914 1.00 0.00 N ATOM 193 CD2 HIS A 15 0.787 10.769 -4.460 1.00 0.00 C ATOM 194 CE1 HIS A 15 0.948 11.718 -6.425 1.00 0.00 C ATOM 195 NE2 HIS A 15 0.093 11.158 -5.522 1.00 0.00 N ATOM 0 H HIS A 15 2.595 8.661 -2.149 1.00 0.00 H new ATOM 0 HA HIS A 15 3.983 9.094 -4.740 1.00 0.00 H new ATOM 0 HB2 HIS A 15 3.092 11.216 -2.787 1.00 0.00 H new ATOM 0 HB3 HIS A 15 4.134 11.470 -4.174 1.00 0.00 H new ATOM 0 HD1 HIS A 15 3.018 12.019 -6.364 1.00 0.00 H new ATOM 0 HD2 HIS A 15 0.381 10.290 -3.581 1.00 0.00 H new ATOM 0 HE1 HIS A 15 0.677 12.126 -7.387 1.00 0.00 H new ATOM 268 N LEU A 21 7.447 7.189 1.351 1.00 0.00 N ATOM 269 CA LEU A 21 6.038 6.965 1.074 1.00 0.00 C ATOM 270 C LEU A 21 5.202 7.505 2.236 1.00 0.00 C ATOM 271 O LEU A 21 4.158 8.120 2.021 1.00 0.00 O ATOM 272 CB LEU A 21 5.781 5.488 0.766 1.00 0.00 C ATOM 273 CG LEU A 21 6.245 4.999 -0.607 1.00 0.00 C ATOM 274 CD1 LEU A 21 5.400 5.617 -1.723 1.00 0.00 C ATOM 275 CD2 LEU A 21 7.739 5.262 -0.807 1.00 0.00 C ATOM 0 HA LEU A 21 5.734 7.511 0.181 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.275 4.887 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.711 5.300 0.854 1.00 0.00 H new ATOM 0 HG LEU A 21 6.099 3.920 -0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.750 5.253 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.356 5.336 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.491 6.703 -1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.043 4.905 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.933 6.332 -0.734 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.307 4.737 -0.039 1.00 0.00 H new ATOM 287 N GLY A 22 5.692 7.257 3.442 1.00 0.00 N ATOM 288 CA GLY A 22 5.003 7.711 4.638 1.00 0.00 C ATOM 289 C GLY A 22 4.250 6.559 5.307 1.00 0.00 C ATOM 290 O GLY A 22 3.106 6.722 5.728 1.00 0.00 O ATOM 0 H GLY A 22 6.558 6.747 3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.723 8.135 5.338 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.304 8.506 4.380 1.00 0.00 H new ATOM 294 N PHE A 23 4.924 5.421 5.385 1.00 0.00 N ATOM 295 CA PHE A 23 4.333 4.242 5.997 1.00 0.00 C ATOM 296 C PHE A 23 5.337 3.089 6.046 1.00 0.00 C ATOM 297 O PHE A 23 6.430 3.188 5.492 1.00 0.00 O ATOM 298 CB PHE A 23 3.146 3.833 5.123 1.00 0.00 C ATOM 299 CG PHE A 23 3.532 3.001 3.898 1.00 0.00 C ATOM 300 CD1 PHE A 23 4.372 3.518 2.962 1.00 0.00 C ATOM 301 CD2 PHE A 23 3.036 1.744 3.746 1.00 0.00 C ATOM 302 CE1 PHE A 23 4.731 2.746 1.826 1.00 0.00 C ATOM 303 CE2 PHE A 23 3.395 0.972 2.609 1.00 0.00 C ATOM 304 CZ PHE A 23 4.235 1.489 1.673 1.00 0.00 C ATOM 0 H PHE A 23 5.873 5.290 5.035 1.00 0.00 H new ATOM 0 HA PHE A 23 4.028 4.466 7.019 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.441 3.263 5.729 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.627 4.732 4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.766 4.516 3.083 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.369 1.333 4.490 1.00 0.00 H new ATOM 0 HE1 PHE A 23 5.398 3.157 1.083 1.00 0.00 H new ATOM 0 HE2 PHE A 23 3.001 -0.026 2.488 1.00 0.00 H new ATOM 0 HZ PHE A 23 4.508 0.902 0.809 1.00 0.00 H new ATOM 314 N ASN A 24 4.929 2.020 6.715 1.00 0.00 N ATOM 315 CA ASN A 24 5.779 0.849 6.844 1.00 0.00 C ATOM 316 C ASN A 24 4.983 -0.399 6.457 1.00 0.00 C ATOM 317 O ASN A 24 3.761 -0.345 6.329 1.00 0.00 O ATOM 318 CB ASN A 24 6.260 0.674 8.286 1.00 0.00 C ATOM 319 CG ASN A 24 7.073 1.886 8.744 1.00 0.00 C ATOM 320 OD1 ASN A 24 7.584 2.659 7.950 1.00 0.00 O ATOM 321 ND2 ASN A 24 7.166 2.008 10.065 1.00 0.00 N ATOM 0 H ASN A 24 4.021 1.941 7.173 1.00 0.00 H new ATOM 0 HA ASN A 24 6.640 0.984 6.190 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.403 0.537 8.945 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.869 -0.227 8.363 1.00 0.00 H new ATOM 0 HD21 ASN A 24 7.689 2.784 10.470 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.714 1.325 10.673 1.00 0.00 H new ATOM 328 N ILE A 25 5.708 -1.493 6.280 1.00 0.00 N ATOM 329 CA ILE A 25 5.085 -2.753 5.910 1.00 0.00 C ATOM 330 C ILE A 25 5.555 -3.850 6.866 1.00 0.00 C ATOM 331 O ILE A 25 6.596 -3.716 7.507 1.00 0.00 O ATOM 332 CB ILE A 25 5.348 -3.067 4.436 1.00 0.00 C ATOM 333 CG1 ILE A 25 6.734 -2.578 4.009 1.00 0.00 C ATOM 334 CG2 ILE A 25 4.241 -2.497 3.547 1.00 0.00 C ATOM 335 CD1 ILE A 25 7.259 -3.385 2.820 1.00 0.00 C ATOM 0 H ILE A 25 6.722 -1.534 6.386 1.00 0.00 H new ATOM 0 HA ILE A 25 4.002 -2.686 6.010 1.00 0.00 H new ATOM 0 HB ILE A 25 5.336 -4.150 4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.685 -1.522 3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.427 -2.664 4.846 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.453 -2.735 2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.284 -2.935 3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.196 -1.415 3.671 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.245 -3.017 2.537 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.330 -4.437 3.097 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.576 -3.277 1.977 1.00 0.00 H new ATOM 347 N ILE A 26 4.764 -4.912 6.933 1.00 0.00 N ATOM 348 CA ILE A 26 5.087 -6.032 7.800 1.00 0.00 C ATOM 349 C ILE A 26 4.765 -7.341 7.076 1.00 0.00 C ATOM 350 O ILE A 26 3.968 -7.357 6.140 1.00 0.00 O ATOM 351 CB ILE A 26 4.379 -5.885 9.149 1.00 0.00 C ATOM 352 CG1 ILE A 26 2.996 -6.538 9.116 1.00 0.00 C ATOM 353 CG2 ILE A 26 4.311 -4.418 9.576 1.00 0.00 C ATOM 354 CD1 ILE A 26 2.324 -6.469 10.489 1.00 0.00 C ATOM 0 H ILE A 26 3.901 -5.020 6.401 1.00 0.00 H new ATOM 0 HA ILE A 26 6.154 -6.046 8.025 1.00 0.00 H new ATOM 0 HB ILE A 26 4.966 -6.412 9.902 1.00 0.00 H new ATOM 0 HG12 ILE A 26 2.371 -6.038 8.376 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.088 -7.578 8.804 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.803 -4.342 10.537 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.321 -4.018 9.666 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.760 -3.847 8.829 1.00 0.00 H new ATOM 0 HD11 ILE A 26 1.342 -6.940 10.438 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.939 -6.991 11.222 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.211 -5.427 10.787 1.00 0.00 H new ATOM 555 N GLY A 42 2.880 -12.365 3.619 1.00 0.00 N ATOM 556 CA GLY A 42 1.920 -11.382 3.146 1.00 0.00 C ATOM 557 C GLY A 42 2.392 -9.960 3.459 1.00 0.00 C ATOM 558 O GLY A 42 3.109 -9.741 4.434 1.00 0.00 O ATOM 0 HA2 GLY A 42 1.779 -11.494 2.071 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.952 -11.559 3.614 1.00 0.00 H new ATOM 562 N ILE A 43 1.969 -9.031 2.614 1.00 0.00 N ATOM 563 CA ILE A 43 2.340 -7.637 2.788 1.00 0.00 C ATOM 564 C ILE A 43 1.178 -6.883 3.437 1.00 0.00 C ATOM 565 O ILE A 43 0.050 -6.934 2.949 1.00 0.00 O ATOM 566 CB ILE A 43 2.798 -7.034 1.459 1.00 0.00 C ATOM 567 CG1 ILE A 43 3.968 -7.827 0.872 1.00 0.00 C ATOM 568 CG2 ILE A 43 3.133 -5.550 1.617 1.00 0.00 C ATOM 569 CD1 ILE A 43 4.976 -8.203 1.960 1.00 0.00 C ATOM 0 H ILE A 43 1.373 -9.216 1.807 1.00 0.00 H new ATOM 0 HA ILE A 43 3.193 -7.551 3.461 1.00 0.00 H new ATOM 0 HB ILE A 43 1.973 -7.104 0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.594 -8.730 0.390 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.463 -7.236 0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.456 -5.146 0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.249 -5.012 1.959 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.933 -5.433 2.348 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.797 -8.766 1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.366 -7.297 2.424 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.484 -8.815 2.716 1.00 0.00 H new ATOM 581 N PHE A 44 1.493 -6.200 4.528 1.00 0.00 N ATOM 582 CA PHE A 44 0.489 -5.437 5.249 1.00 0.00 C ATOM 583 C PHE A 44 1.050 -4.089 5.708 1.00 0.00 C ATOM 584 O PHE A 44 2.260 -3.872 5.672 1.00 0.00 O ATOM 585 CB PHE A 44 0.100 -6.259 6.480 1.00 0.00 C ATOM 586 CG PHE A 44 -0.702 -7.521 6.156 1.00 0.00 C ATOM 587 CD1 PHE A 44 -0.060 -8.647 5.745 1.00 0.00 C ATOM 588 CD2 PHE A 44 -2.056 -7.517 6.280 1.00 0.00 C ATOM 589 CE1 PHE A 44 -0.803 -9.819 5.445 1.00 0.00 C ATOM 590 CE2 PHE A 44 -2.800 -8.689 5.980 1.00 0.00 C ATOM 591 CZ PHE A 44 -2.158 -9.815 5.569 1.00 0.00 C ATOM 0 H PHE A 44 2.430 -6.159 4.930 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.367 -5.244 4.602 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.006 -6.544 7.015 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.485 -5.632 7.153 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.016 -8.650 5.647 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.566 -6.623 6.607 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -0.293 -10.713 5.119 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -3.876 -8.686 6.078 1.00 0.00 H new ATOM 0 HZ PHE A 44 -2.724 -10.706 5.341 1.00 0.00 H new ATOM 601 N VAL A 45 0.143 -3.219 6.128 1.00 0.00 N ATOM 602 CA VAL A 45 0.533 -1.898 6.593 1.00 0.00 C ATOM 603 C VAL A 45 0.387 -1.835 8.115 1.00 0.00 C ATOM 604 O VAL A 45 -0.650 -2.213 8.659 1.00 0.00 O ATOM 605 CB VAL A 45 -0.284 -0.827 5.869 1.00 0.00 C ATOM 606 CG1 VAL A 45 0.057 0.570 6.392 1.00 0.00 C ATOM 607 CG2 VAL A 45 -0.079 -0.910 4.355 1.00 0.00 C ATOM 0 H VAL A 45 -0.860 -3.403 6.156 1.00 0.00 H new ATOM 0 HA VAL A 45 1.579 -1.703 6.358 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.338 -1.014 6.075 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.538 1.313 5.860 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.164 0.623 7.458 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.116 0.770 6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.671 -0.137 3.865 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.975 -0.762 4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.395 -1.890 3.998 1.00 0.00 H new ATOM 617 N SER A 46 1.440 -1.353 8.759 1.00 0.00 N ATOM 618 CA SER A 46 1.442 -1.235 10.207 1.00 0.00 C ATOM 619 C SER A 46 1.651 0.225 10.613 1.00 0.00 C ATOM 620 O SER A 46 1.046 0.700 11.572 1.00 0.00 O ATOM 621 CB SER A 46 2.523 -2.119 10.830 1.00 0.00 C ATOM 622 OG SER A 46 2.385 -2.214 12.245 1.00 0.00 O ATOM 0 H SER A 46 2.298 -1.040 8.304 1.00 0.00 H new ATOM 0 HA SER A 46 0.475 -1.574 10.579 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.472 -3.116 10.393 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.506 -1.715 10.588 1.00 0.00 H new ATOM 0 HG SER A 46 3.093 -2.788 12.605 1.00 0.00 H new ATOM 628 N LYS A 47 2.511 0.897 9.861 1.00 0.00 N ATOM 629 CA LYS A 47 2.808 2.294 10.130 1.00 0.00 C ATOM 630 C LYS A 47 2.257 3.157 8.993 1.00 0.00 C ATOM 631 O LYS A 47 2.224 2.724 7.842 1.00 0.00 O ATOM 632 CB LYS A 47 4.306 2.485 10.378 1.00 0.00 C ATOM 633 CG LYS A 47 4.595 3.878 10.941 1.00 0.00 C ATOM 634 CD LYS A 47 3.800 4.127 12.224 1.00 0.00 C ATOM 635 CE LYS A 47 4.552 5.075 13.160 1.00 0.00 C ATOM 636 NZ LYS A 47 4.865 4.401 14.439 1.00 0.00 N ATOM 0 H LYS A 47 3.011 0.500 9.066 1.00 0.00 H new ATOM 0 HA LYS A 47 2.313 2.619 11.045 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.663 1.726 11.074 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.853 2.345 9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.661 3.978 11.145 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.340 4.634 10.199 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.827 4.551 11.976 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.615 3.180 12.731 1.00 0.00 H new ATOM 0 HE2 LYS A 47 5.473 5.410 12.684 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.949 5.963 13.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.375 5.059 15.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.982 4.103 14.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.459 3.567 14.256 1.00 0.00 H new ATOM 650 N ILE A 48 1.840 4.361 9.355 1.00 0.00 N ATOM 651 CA ILE A 48 1.292 5.288 8.379 1.00 0.00 C ATOM 652 C ILE A 48 1.494 6.721 8.875 1.00 0.00 C ATOM 653 O ILE A 48 0.759 7.191 9.742 1.00 0.00 O ATOM 654 CB ILE A 48 -0.166 4.943 8.072 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.258 3.761 7.104 1.00 0.00 C ATOM 656 CG2 ILE A 48 -0.922 6.168 7.554 1.00 0.00 C ATOM 657 CD1 ILE A 48 -1.639 3.695 6.449 1.00 0.00 C ATOM 0 H ILE A 48 1.870 4.716 10.311 1.00 0.00 H new ATOM 0 HA ILE A 48 1.822 5.201 7.431 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.647 4.637 9.001 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.509 3.855 6.335 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.060 2.832 7.639 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.956 5.895 7.343 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.901 6.955 8.308 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.449 6.528 6.641 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -1.678 2.846 5.766 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.401 3.576 7.219 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.823 4.615 5.895 1.00 0.00 H new ATOM 669 N VAL A 49 2.494 7.376 8.303 1.00 0.00 N ATOM 670 CA VAL A 49 2.801 8.746 8.676 1.00 0.00 C ATOM 671 C VAL A 49 1.653 9.659 8.240 1.00 0.00 C ATOM 672 O VAL A 49 0.983 9.388 7.244 1.00 0.00 O ATOM 673 CB VAL A 49 4.150 9.159 8.084 1.00 0.00 C ATOM 674 CG1 VAL A 49 5.171 8.025 8.201 1.00 0.00 C ATOM 675 CG2 VAL A 49 3.996 9.610 6.630 1.00 0.00 C ATOM 0 H VAL A 49 3.102 6.983 7.584 1.00 0.00 H new ATOM 0 HA VAL A 49 2.894 8.835 9.758 1.00 0.00 H new ATOM 0 HB VAL A 49 4.523 10.006 8.660 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.121 8.345 7.773 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.314 7.771 9.251 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.807 7.150 7.662 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.970 9.898 6.233 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.590 8.791 6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.319 10.463 6.583 1.00 0.00 H new ATOM 685 N ASP A 50 1.460 10.721 9.008 1.00 0.00 N ATOM 686 CA ASP A 50 0.404 11.675 8.714 1.00 0.00 C ATOM 687 C ASP A 50 0.832 12.556 7.538 1.00 0.00 C ATOM 688 O ASP A 50 0.554 12.235 6.384 1.00 0.00 O ATOM 689 CB ASP A 50 0.135 12.586 9.913 1.00 0.00 C ATOM 690 CG ASP A 50 -0.910 12.062 10.901 1.00 0.00 C ATOM 691 OD1 ASP A 50 -1.559 11.050 10.557 1.00 0.00 O ATOM 692 OD2 ASP A 50 -1.037 12.685 11.977 1.00 0.00 O ATOM 0 H ASP A 50 2.017 10.942 9.833 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.500 11.115 8.477 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.072 12.744 10.448 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.190 13.559 9.545 1.00 0.00 H new ATOM 697 N SER A 51 1.501 13.650 7.872 1.00 0.00 N ATOM 698 CA SER A 51 1.969 14.580 6.859 1.00 0.00 C ATOM 699 C SER A 51 2.181 13.846 5.533 1.00 0.00 C ATOM 700 O SER A 51 1.728 14.305 4.486 1.00 0.00 O ATOM 701 CB SER A 51 3.264 15.267 7.298 1.00 0.00 C ATOM 702 OG SER A 51 3.012 16.458 8.037 1.00 0.00 O ATOM 0 H SER A 51 1.730 13.913 8.831 1.00 0.00 H new ATOM 0 HA SER A 51 1.209 15.350 6.724 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.851 14.579 7.907 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.864 15.505 6.420 1.00 0.00 H new ATOM 0 HG SER A 51 3.863 16.866 8.300 1.00 0.00 H new ATOM 708 N GLY A 52 2.869 12.717 5.622 1.00 0.00 N ATOM 709 CA GLY A 52 3.147 11.915 4.442 1.00 0.00 C ATOM 710 C GLY A 52 1.963 11.938 3.473 1.00 0.00 C ATOM 711 O GLY A 52 0.815 12.071 3.893 1.00 0.00 O ATOM 0 H GLY A 52 3.242 12.339 6.493 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.038 12.294 3.942 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.360 10.888 4.738 1.00 0.00 H new ATOM 715 N PRO A 53 2.292 11.802 2.161 1.00 0.00 N ATOM 716 CA PRO A 53 1.269 11.805 1.128 1.00 0.00 C ATOM 717 C PRO A 53 0.504 10.480 1.110 1.00 0.00 C ATOM 718 O PRO A 53 -0.497 10.347 0.408 1.00 0.00 O ATOM 719 CB PRO A 53 2.018 12.077 -0.166 1.00 0.00 C ATOM 720 CG PRO A 53 3.476 11.754 0.120 1.00 0.00 C ATOM 721 CD PRO A 53 3.641 11.641 1.626 1.00 0.00 C ATOM 0 HA PRO A 53 0.503 12.562 1.296 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.633 11.459 -0.977 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.901 13.116 -0.474 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.763 10.822 -0.367 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.125 12.534 -0.278 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.066 10.677 1.906 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.313 12.409 2.009 1.00 0.00 H new ATOM 729 N ALA A 54 1.005 9.533 1.890 1.00 0.00 N ATOM 730 CA ALA A 54 0.382 8.224 1.972 1.00 0.00 C ATOM 731 C ALA A 54 -0.865 8.311 2.855 1.00 0.00 C ATOM 732 O ALA A 54 -1.844 7.605 2.624 1.00 0.00 O ATOM 733 CB ALA A 54 1.397 7.206 2.496 1.00 0.00 C ATOM 0 H ALA A 54 1.836 9.647 2.471 1.00 0.00 H new ATOM 0 HA ALA A 54 0.064 7.889 0.985 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.929 6.224 2.557 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.249 7.160 1.818 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.737 7.508 3.486 1.00 0.00 H new ATOM 739 N ALA A 55 -0.786 9.184 3.849 1.00 0.00 N ATOM 740 CA ALA A 55 -1.896 9.374 4.768 1.00 0.00 C ATOM 741 C ALA A 55 -2.773 10.526 4.272 1.00 0.00 C ATOM 742 O ALA A 55 -3.995 10.479 4.399 1.00 0.00 O ATOM 743 CB ALA A 55 -1.355 9.618 6.178 1.00 0.00 C ATOM 0 H ALA A 55 0.029 9.767 4.038 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.519 8.480 4.808 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.187 9.761 6.867 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.764 8.758 6.495 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.727 10.509 6.178 1.00 0.00 H new ATOM 749 N LYS A 56 -2.113 11.532 3.717 1.00 0.00 N ATOM 750 CA LYS A 56 -2.817 12.694 3.202 1.00 0.00 C ATOM 751 C LYS A 56 -3.835 12.244 2.152 1.00 0.00 C ATOM 752 O LYS A 56 -5.015 12.075 2.458 1.00 0.00 O ATOM 753 CB LYS A 56 -1.824 13.738 2.687 1.00 0.00 C ATOM 754 CG LYS A 56 -1.516 14.780 3.764 1.00 0.00 C ATOM 755 CD LYS A 56 -2.493 15.955 3.685 1.00 0.00 C ATOM 756 CE LYS A 56 -3.379 16.017 4.931 1.00 0.00 C ATOM 757 NZ LYS A 56 -4.802 16.156 4.549 1.00 0.00 N ATOM 0 H LYS A 56 -1.099 11.566 3.613 1.00 0.00 H new ATOM 0 HA LYS A 56 -3.375 13.185 3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -0.902 13.246 2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -2.234 14.231 1.805 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -1.576 14.318 4.750 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -0.495 15.142 3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -1.938 16.888 3.582 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.116 15.855 2.796 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.243 15.114 5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.080 16.859 5.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.389 16.197 5.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.930 17.030 4.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.088 15.339 3.972 1.00 0.00 H new ATOM 771 N GLU A 57 -3.343 12.063 0.935 1.00 0.00 N ATOM 772 CA GLU A 57 -4.195 11.636 -0.161 1.00 0.00 C ATOM 773 C GLU A 57 -4.017 10.138 -0.419 1.00 0.00 C ATOM 774 O GLU A 57 -4.917 9.484 -0.944 1.00 0.00 O ATOM 775 CB GLU A 57 -3.909 12.448 -1.426 1.00 0.00 C ATOM 776 CG GLU A 57 -4.255 13.924 -1.220 1.00 0.00 C ATOM 777 CD GLU A 57 -4.199 14.690 -2.543 1.00 0.00 C ATOM 778 OE1 GLU A 57 -5.242 14.709 -3.233 1.00 0.00 O ATOM 779 OE2 GLU A 57 -3.115 15.240 -2.835 1.00 0.00 O ATOM 0 H GLU A 57 -2.364 12.204 0.684 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.233 11.816 0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.857 12.351 -1.694 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.488 12.048 -2.258 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -5.252 14.011 -0.787 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.559 14.369 -0.509 1.00 0.00 H new ATOM 786 N GLY A 58 -2.850 9.639 -0.039 1.00 0.00 N ATOM 787 CA GLY A 58 -2.543 8.231 -0.223 1.00 0.00 C ATOM 788 C GLY A 58 -3.809 7.377 -0.132 1.00 0.00 C ATOM 789 O GLY A 58 -4.138 6.646 -1.066 1.00 0.00 O ATOM 0 H GLY A 58 -2.106 10.185 0.395 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.069 8.082 -1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.828 7.909 0.534 1.00 0.00 H new ATOM 793 N GLY A 59 -4.485 7.498 1.001 1.00 0.00 N ATOM 794 CA GLY A 59 -5.708 6.746 1.225 1.00 0.00 C ATOM 795 C GLY A 59 -5.428 5.465 2.014 1.00 0.00 C ATOM 796 O GLY A 59 -6.354 4.798 2.472 1.00 0.00 O ATOM 0 H GLY A 59 -4.209 8.105 1.773 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.424 7.363 1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.165 6.495 0.268 1.00 0.00 H new ATOM 800 N LEU A 60 -4.145 5.161 2.150 1.00 0.00 N ATOM 801 CA LEU A 60 -3.731 3.972 2.875 1.00 0.00 C ATOM 802 C LEU A 60 -4.387 3.969 4.257 1.00 0.00 C ATOM 803 O LEU A 60 -4.914 4.988 4.701 1.00 0.00 O ATOM 804 CB LEU A 60 -2.205 3.876 2.919 1.00 0.00 C ATOM 805 CG LEU A 60 -1.624 2.464 3.018 1.00 0.00 C ATOM 806 CD1 LEU A 60 -2.379 1.495 2.106 1.00 0.00 C ATOM 807 CD2 LEU A 60 -0.121 2.468 2.732 1.00 0.00 C ATOM 0 H LEU A 60 -3.379 5.718 1.770 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.069 3.074 2.359 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.805 4.350 2.023 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.849 4.455 3.771 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.756 2.112 4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.946 0.499 2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.428 1.462 2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.301 1.833 1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.267 1.452 2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.057 2.849 1.726 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.386 3.106 3.457 1.00 0.00 H new ATOM 819 N GLN A 61 -4.334 2.811 4.900 1.00 0.00 N ATOM 820 CA GLN A 61 -4.917 2.662 6.222 1.00 0.00 C ATOM 821 C GLN A 61 -4.201 1.553 6.996 1.00 0.00 C ATOM 822 O GLN A 61 -4.075 0.432 6.507 1.00 0.00 O ATOM 823 CB GLN A 61 -6.419 2.385 6.132 1.00 0.00 C ATOM 824 CG GLN A 61 -7.181 3.127 7.232 1.00 0.00 C ATOM 825 CD GLN A 61 -8.325 2.271 7.779 1.00 0.00 C ATOM 826 OE1 GLN A 61 -8.245 1.692 8.849 1.00 0.00 O ATOM 827 NE2 GLN A 61 -9.392 2.224 6.986 1.00 0.00 N ATOM 0 H GLN A 61 -3.896 1.968 4.529 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.786 3.599 6.763 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -6.791 2.694 5.155 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -6.601 1.314 6.218 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.498 3.387 8.041 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -7.578 4.062 6.837 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -9.393 2.733 6.102 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -10.209 1.679 7.262 1.00 0.00 H new ATOM 836 N ILE A 62 -3.750 1.905 8.191 1.00 0.00 N ATOM 837 CA ILE A 62 -3.049 0.954 9.037 1.00 0.00 C ATOM 838 C ILE A 62 -3.773 -0.393 8.989 1.00 0.00 C ATOM 839 O ILE A 62 -4.995 -0.441 8.858 1.00 0.00 O ATOM 840 CB ILE A 62 -2.885 1.514 10.451 1.00 0.00 C ATOM 841 CG1 ILE A 62 -2.092 2.823 10.434 1.00 0.00 C ATOM 842 CG2 ILE A 62 -2.257 0.476 11.383 1.00 0.00 C ATOM 843 CD1 ILE A 62 -1.287 2.993 11.723 1.00 0.00 C ATOM 0 H ILE A 62 -3.856 2.836 8.594 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.038 0.787 8.666 1.00 0.00 H new ATOM 0 HB ILE A 62 -3.876 1.742 10.844 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.419 2.833 9.577 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.775 3.664 10.314 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.152 0.900 12.382 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -2.896 -0.406 11.429 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.275 0.193 11.004 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -0.733 3.931 11.685 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.965 3.007 12.576 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.588 2.163 11.828 1.00 0.00 H new ATOM 855 N HIS A 63 -2.988 -1.455 9.099 1.00 0.00 N ATOM 856 CA HIS A 63 -3.538 -2.799 9.070 1.00 0.00 C ATOM 857 C HIS A 63 -4.225 -3.044 7.725 1.00 0.00 C ATOM 858 O HIS A 63 -5.373 -3.483 7.680 1.00 0.00 O ATOM 859 CB HIS A 63 -4.470 -3.030 10.261 1.00 0.00 C ATOM 860 CG HIS A 63 -3.906 -2.562 11.582 1.00 0.00 C ATOM 861 ND1 HIS A 63 -2.647 -2.924 12.030 1.00 0.00 N ATOM 862 CD2 HIS A 63 -4.441 -1.758 12.545 1.00 0.00 C ATOM 863 CE1 HIS A 63 -2.445 -2.358 13.211 1.00 0.00 C ATOM 864 NE2 HIS A 63 -3.558 -1.636 13.528 1.00 0.00 N ATOM 0 H HIS A 63 -1.975 -1.411 9.208 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.732 -3.527 9.166 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -5.413 -2.515 10.077 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -4.697 -4.094 10.331 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.418 -1.298 12.513 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.555 -2.452 13.816 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.690 -1.092 14.381 1.00 0.00 H new ATOM 872 N ASP A 64 -3.492 -2.749 6.661 1.00 0.00 N ATOM 873 CA ASP A 64 -4.016 -2.932 5.318 1.00 0.00 C ATOM 874 C ASP A 64 -3.081 -3.853 4.531 1.00 0.00 C ATOM 875 O ASP A 64 -1.863 -3.687 4.570 1.00 0.00 O ATOM 876 CB ASP A 64 -4.101 -1.598 4.574 1.00 0.00 C ATOM 877 CG ASP A 64 -5.455 -0.892 4.665 1.00 0.00 C ATOM 878 OD1 ASP A 64 -6.382 -1.513 5.229 1.00 0.00 O ATOM 879 OD2 ASP A 64 -5.533 0.253 4.169 1.00 0.00 O ATOM 0 H ASP A 64 -2.540 -2.385 6.702 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.014 -3.363 5.401 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.333 -0.931 4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -3.868 -1.770 3.523 1.00 0.00 H new ATOM 884 N ARG A 65 -3.687 -4.804 3.836 1.00 0.00 N ATOM 885 CA ARG A 65 -2.923 -5.752 3.041 1.00 0.00 C ATOM 886 C ARG A 65 -2.792 -5.253 1.601 1.00 0.00 C ATOM 887 O ARG A 65 -3.765 -5.256 0.848 1.00 0.00 O ATOM 888 CB ARG A 65 -3.589 -7.129 3.038 1.00 0.00 C ATOM 889 CG ARG A 65 -2.553 -8.238 2.842 1.00 0.00 C ATOM 890 CD ARG A 65 -3.233 -9.581 2.567 1.00 0.00 C ATOM 891 NE ARG A 65 -2.294 -10.491 1.874 1.00 0.00 N ATOM 892 CZ ARG A 65 -2.580 -11.759 1.548 1.00 0.00 C ATOM 893 NH1 ARG A 65 -3.779 -12.275 1.851 1.00 0.00 N ATOM 894 NH2 ARG A 65 -1.666 -12.511 0.919 1.00 0.00 N ATOM 0 H ARG A 65 -4.698 -4.939 3.806 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.933 -5.840 3.489 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -4.119 -7.283 3.978 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -4.332 -7.176 2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.895 -7.983 2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -1.928 -8.318 3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.562 -10.030 3.504 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.123 -9.429 1.956 1.00 0.00 H new ATOM 0 HE ARG A 65 -1.372 -10.131 1.629 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -4.474 -11.703 2.330 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.996 -13.240 1.603 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.753 -12.118 0.689 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.883 -13.476 0.671 1.00 0.00 H new ATOM 908 N ILE A 66 -1.582 -4.835 1.261 1.00 0.00 N ATOM 909 CA ILE A 66 -1.311 -4.334 -0.076 1.00 0.00 C ATOM 910 C ILE A 66 -1.517 -5.461 -1.090 1.00 0.00 C ATOM 911 O ILE A 66 -1.090 -6.592 -0.862 1.00 0.00 O ATOM 912 CB ILE A 66 0.080 -3.698 -0.138 1.00 0.00 C ATOM 913 CG1 ILE A 66 0.403 -2.960 1.162 1.00 0.00 C ATOM 914 CG2 ILE A 66 0.213 -2.790 -1.362 1.00 0.00 C ATOM 915 CD1 ILE A 66 1.471 -1.888 0.933 1.00 0.00 C ATOM 0 H ILE A 66 -0.778 -4.833 1.888 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.012 -3.540 -0.334 1.00 0.00 H new ATOM 0 HB ILE A 66 0.816 -4.494 -0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.502 -2.498 1.557 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.751 -3.671 1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.210 -2.351 -1.382 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.056 -3.375 -2.268 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.532 -1.996 -1.309 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.682 -1.378 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.382 -2.356 0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.110 -1.165 0.201 1.00 0.00 H new ATOM 927 N ILE A 67 -2.173 -5.113 -2.187 1.00 0.00 N ATOM 928 CA ILE A 67 -2.442 -6.082 -3.237 1.00 0.00 C ATOM 929 C ILE A 67 -1.473 -5.850 -4.398 1.00 0.00 C ATOM 930 O ILE A 67 -0.805 -6.779 -4.849 1.00 0.00 O ATOM 931 CB ILE A 67 -3.915 -6.033 -3.646 1.00 0.00 C ATOM 932 CG1 ILE A 67 -4.809 -5.732 -2.441 1.00 0.00 C ATOM 933 CG2 ILE A 67 -4.329 -7.323 -4.358 1.00 0.00 C ATOM 934 CD1 ILE A 67 -4.855 -6.923 -1.481 1.00 0.00 C ATOM 0 H ILE A 67 -2.526 -4.174 -2.372 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.270 -7.095 -2.875 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.045 -5.216 -4.356 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.435 -4.852 -1.917 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.817 -5.496 -2.782 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -5.381 -7.262 -4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.722 -7.455 -5.254 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.180 -8.171 -3.690 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.497 -6.683 -0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.252 -7.795 -2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.849 -7.141 -1.123 1.00 0.00 H new ATOM 946 N GLU A 68 -1.428 -4.605 -4.850 1.00 0.00 N ATOM 947 CA GLU A 68 -0.553 -4.240 -5.951 1.00 0.00 C ATOM 948 C GLU A 68 0.015 -2.836 -5.733 1.00 0.00 C ATOM 949 O GLU A 68 -0.585 -2.020 -5.035 1.00 0.00 O ATOM 950 CB GLU A 68 -1.287 -4.333 -7.290 1.00 0.00 C ATOM 951 CG GLU A 68 -0.567 -5.286 -8.245 1.00 0.00 C ATOM 952 CD GLU A 68 -1.297 -6.628 -8.334 1.00 0.00 C ATOM 953 OE1 GLU A 68 -1.374 -7.303 -7.285 1.00 0.00 O ATOM 954 OE2 GLU A 68 -1.761 -6.949 -9.450 1.00 0.00 O ATOM 0 H GLU A 68 -1.983 -3.837 -4.474 1.00 0.00 H new ATOM 0 HA GLU A 68 0.276 -4.947 -5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -2.307 -4.679 -7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.355 -3.343 -7.741 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.505 -4.835 -9.236 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.455 -5.446 -7.903 1.00 0.00 H new ATOM 961 N VAL A 69 1.167 -2.597 -6.344 1.00 0.00 N ATOM 962 CA VAL A 69 1.823 -1.306 -6.226 1.00 0.00 C ATOM 963 C VAL A 69 2.422 -0.917 -7.579 1.00 0.00 C ATOM 964 O VAL A 69 3.316 -1.595 -8.084 1.00 0.00 O ATOM 965 CB VAL A 69 2.861 -1.347 -5.102 1.00 0.00 C ATOM 966 CG1 VAL A 69 4.262 -1.604 -5.660 1.00 0.00 C ATOM 967 CG2 VAL A 69 2.826 -0.060 -4.277 1.00 0.00 C ATOM 0 H VAL A 69 1.662 -3.276 -6.922 1.00 0.00 H new ATOM 0 HA VAL A 69 1.102 -0.535 -5.956 1.00 0.00 H new ATOM 0 HB VAL A 69 2.607 -2.175 -4.440 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.981 -1.628 -4.841 1.00 0.00 H new ATOM 0 HG12 VAL A 69 4.275 -2.560 -6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 69 4.529 -0.807 -6.354 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.573 -0.115 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 69 3.043 0.792 -4.922 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.837 0.062 -3.835 1.00 0.00 H new ATOM 977 N ASN A 70 1.905 0.172 -8.128 1.00 0.00 N ATOM 978 CA ASN A 70 2.378 0.659 -9.413 1.00 0.00 C ATOM 979 C ASN A 70 2.256 -0.457 -10.452 1.00 0.00 C ATOM 980 O ASN A 70 2.911 -0.415 -11.493 1.00 0.00 O ATOM 981 CB ASN A 70 3.848 1.076 -9.337 1.00 0.00 C ATOM 982 CG ASN A 70 4.161 2.169 -10.360 1.00 0.00 C ATOM 983 OD1 ASN A 70 4.599 3.304 -9.823 1.00 0.00 O flip ATOM 984 ND2 ASN A 70 4.015 1.994 -11.559 1.00 0.00 N flip ATOM 0 H ASN A 70 1.163 0.731 -7.707 1.00 0.00 H new ATOM 0 HA ASN A 70 1.773 1.522 -9.690 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.076 1.436 -8.334 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.485 0.210 -9.518 1.00 0.00 H new ATOM 0 HD21 ASN A 70 3.674 1.097 -11.906 1.00 0.00 H new ATOM 0 HD22 ASN A 70 4.234 2.744 -12.214 1.00 0.00 H new ATOM 991 N GLY A 71 1.414 -1.429 -10.134 1.00 0.00 N ATOM 992 CA GLY A 71 1.199 -2.555 -11.028 1.00 0.00 C ATOM 993 C GLY A 71 2.027 -3.766 -10.594 1.00 0.00 C ATOM 994 O GLY A 71 1.968 -4.821 -11.224 1.00 0.00 O ATOM 0 H GLY A 71 0.873 -1.461 -9.270 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.141 -2.818 -11.039 1.00 0.00 H new ATOM 0 HA3 GLY A 71 1.468 -2.272 -12.046 1.00 0.00 H new ATOM 998 N ARG A 72 2.781 -3.574 -9.521 1.00 0.00 N ATOM 999 CA ARG A 72 3.620 -4.637 -8.996 1.00 0.00 C ATOM 1000 C ARG A 72 2.858 -5.444 -7.943 1.00 0.00 C ATOM 1001 O ARG A 72 2.356 -4.883 -6.970 1.00 0.00 O ATOM 1002 CB ARG A 72 4.897 -4.072 -8.370 1.00 0.00 C ATOM 1003 CG ARG A 72 6.140 -4.726 -8.977 1.00 0.00 C ATOM 1004 CD ARG A 72 7.193 -5.004 -7.902 1.00 0.00 C ATOM 1005 NE ARG A 72 6.913 -6.299 -7.242 1.00 0.00 N ATOM 1006 CZ ARG A 72 6.978 -7.486 -7.859 1.00 0.00 C ATOM 1007 NH1 ARG A 72 7.313 -7.550 -9.155 1.00 0.00 N ATOM 1008 NH2 ARG A 72 6.707 -8.610 -7.181 1.00 0.00 N ATOM 0 H ARG A 72 2.828 -2.698 -9.001 1.00 0.00 H new ATOM 0 HA ARG A 72 3.893 -5.286 -9.828 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.936 -2.994 -8.525 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.883 -4.239 -7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.862 -5.658 -9.468 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.560 -4.075 -9.743 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.186 -5.022 -8.350 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.191 -4.202 -7.164 1.00 0.00 H new ATOM 0 HE ARG A 72 6.654 -6.287 -6.255 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.518 -6.695 -9.671 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.363 -8.454 -9.625 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.451 -8.562 -6.195 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.757 -9.514 -7.651 1.00 0.00 H new ATOM 1022 N ASP A 73 2.795 -6.747 -8.173 1.00 0.00 N ATOM 1023 CA ASP A 73 2.103 -7.636 -7.256 1.00 0.00 C ATOM 1024 C ASP A 73 2.967 -7.854 -6.013 1.00 0.00 C ATOM 1025 O ASP A 73 4.094 -8.336 -6.112 1.00 0.00 O ATOM 1026 CB ASP A 73 1.849 -9.001 -7.900 1.00 0.00 C ATOM 1027 CG ASP A 73 0.559 -9.101 -8.717 1.00 0.00 C ATOM 1028 OD1 ASP A 73 0.445 -8.328 -9.693 1.00 0.00 O ATOM 1029 OD2 ASP A 73 -0.283 -9.947 -8.347 1.00 0.00 O ATOM 0 H ASP A 73 3.212 -7.209 -8.981 1.00 0.00 H new ATOM 0 HA ASP A 73 1.150 -7.176 -6.995 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.691 -9.242 -8.548 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.824 -9.757 -7.115 1.00 0.00 H new ATOM 1034 N LEU A 74 2.406 -7.487 -4.870 1.00 0.00 N ATOM 1035 CA LEU A 74 3.111 -7.635 -3.608 1.00 0.00 C ATOM 1036 C LEU A 74 2.359 -8.630 -2.722 1.00 0.00 C ATOM 1037 O LEU A 74 2.844 -9.008 -1.657 1.00 0.00 O ATOM 1038 CB LEU A 74 3.329 -6.271 -2.952 1.00 0.00 C ATOM 1039 CG LEU A 74 3.827 -5.155 -3.874 1.00 0.00 C ATOM 1040 CD1 LEU A 74 4.134 -3.884 -3.080 1.00 0.00 C ATOM 1041 CD2 LEU A 74 5.030 -5.620 -4.697 1.00 0.00 C ATOM 0 H LEU A 74 1.471 -7.087 -4.792 1.00 0.00 H new ATOM 0 HA LEU A 74 4.107 -8.045 -3.775 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.389 -5.952 -2.503 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.046 -6.391 -2.140 1.00 0.00 H new ATOM 0 HG LEU A 74 3.030 -4.912 -4.577 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.486 -3.107 -3.759 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.230 -3.543 -2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.905 -4.095 -2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 74 5.364 -4.809 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.840 -5.907 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.744 -6.476 -5.308 1.00 0.00 H new ATOM 1053 N SER A 75 1.187 -9.027 -3.196 1.00 0.00 N ATOM 1054 CA SER A 75 0.363 -9.971 -2.460 1.00 0.00 C ATOM 1055 C SER A 75 1.173 -11.226 -2.130 1.00 0.00 C ATOM 1056 O SER A 75 1.010 -11.810 -1.060 1.00 0.00 O ATOM 1057 CB SER A 75 -0.892 -10.342 -3.254 1.00 0.00 C ATOM 1058 OG SER A 75 -1.558 -11.473 -2.700 1.00 0.00 O ATOM 0 H SER A 75 0.788 -8.712 -4.081 1.00 0.00 H new ATOM 0 HA SER A 75 0.046 -9.497 -1.531 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.574 -9.492 -3.272 1.00 0.00 H new ATOM 0 HB3 SER A 75 -0.618 -10.553 -4.288 1.00 0.00 H new ATOM 0 HG SER A 75 -2.354 -11.677 -3.233 1.00 0.00 H new ATOM 1064 N ARG A 76 2.028 -11.604 -3.069 1.00 0.00 N ATOM 1065 CA ARG A 76 2.863 -12.779 -2.891 1.00 0.00 C ATOM 1066 C ARG A 76 4.334 -12.372 -2.774 1.00 0.00 C ATOM 1067 O ARG A 76 5.227 -13.184 -3.012 1.00 0.00 O ATOM 1068 CB ARG A 76 2.702 -13.752 -4.060 1.00 0.00 C ATOM 1069 CG ARG A 76 3.210 -13.133 -5.363 1.00 0.00 C ATOM 1070 CD ARG A 76 3.933 -14.174 -6.220 1.00 0.00 C ATOM 1071 NE ARG A 76 4.617 -13.512 -7.353 1.00 0.00 N ATOM 1072 CZ ARG A 76 5.392 -14.150 -8.240 1.00 0.00 C ATOM 1073 NH1 ARG A 76 5.586 -15.472 -8.132 1.00 0.00 N ATOM 1074 NH2 ARG A 76 5.973 -13.468 -9.236 1.00 0.00 N ATOM 0 H ARG A 76 2.160 -11.117 -3.955 1.00 0.00 H new ATOM 0 HA ARG A 76 2.545 -13.275 -1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.251 -14.670 -3.851 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.652 -14.025 -4.168 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.373 -12.715 -5.922 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.887 -12.308 -5.138 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.659 -14.716 -5.613 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.219 -14.908 -6.594 1.00 0.00 H new ATOM 0 HE ARG A 76 4.490 -12.506 -7.466 1.00 0.00 H new ATOM 0 HH11 ARG A 76 5.143 -15.992 -7.374 1.00 0.00 H new ATOM 0 HH12 ARG A 76 6.176 -15.958 -8.807 1.00 0.00 H new ATOM 0 HH21 ARG A 76 5.825 -12.462 -9.319 1.00 0.00 H new ATOM 0 HH22 ARG A 76 6.563 -13.955 -9.911 1.00 0.00 H new ATOM 1088 N ALA A 77 4.540 -11.116 -2.408 1.00 0.00 N ATOM 1089 CA ALA A 77 5.886 -10.591 -2.258 1.00 0.00 C ATOM 1090 C ALA A 77 6.221 -10.477 -0.769 1.00 0.00 C ATOM 1091 O ALA A 77 5.364 -10.709 0.083 1.00 0.00 O ATOM 1092 CB ALA A 77 5.996 -9.249 -2.985 1.00 0.00 C ATOM 0 H ALA A 77 3.797 -10.446 -2.211 1.00 0.00 H new ATOM 0 HA ALA A 77 6.613 -11.266 -2.709 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.006 -8.856 -2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 77 5.778 -9.390 -4.044 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.282 -8.544 -2.558 1.00 0.00 H new ATOM 1098 N THR A 78 7.468 -10.118 -0.501 1.00 0.00 N ATOM 1099 CA THR A 78 7.926 -9.970 0.870 1.00 0.00 C ATOM 1100 C THR A 78 8.206 -8.499 1.183 1.00 0.00 C ATOM 1101 O THR A 78 8.156 -7.651 0.293 1.00 0.00 O ATOM 1102 CB THR A 78 9.145 -10.874 1.061 1.00 0.00 C ATOM 1103 OG1 THR A 78 10.237 -10.091 0.588 1.00 0.00 O ATOM 1104 CG2 THR A 78 9.126 -12.088 0.130 1.00 0.00 C ATOM 0 H THR A 78 8.175 -9.925 -1.210 1.00 0.00 H new ATOM 0 HA THR A 78 7.158 -10.280 1.579 1.00 0.00 H new ATOM 0 HB THR A 78 9.187 -11.211 2.097 1.00 0.00 H new ATOM 0 HG1 THR A 78 11.069 -10.602 0.677 1.00 0.00 H new ATOM 0 HG21 THR A 78 10.013 -12.696 0.307 1.00 0.00 H new ATOM 0 HG22 THR A 78 8.234 -12.683 0.326 1.00 0.00 H new ATOM 0 HG23 THR A 78 9.117 -11.751 -0.907 1.00 0.00 H new ATOM 1112 N HIS A 79 8.494 -8.241 2.450 1.00 0.00 N ATOM 1113 CA HIS A 79 8.782 -6.887 2.891 1.00 0.00 C ATOM 1114 C HIS A 79 9.927 -6.308 2.058 1.00 0.00 C ATOM 1115 O HIS A 79 9.901 -5.134 1.691 1.00 0.00 O ATOM 1116 CB HIS A 79 9.066 -6.854 4.394 1.00 0.00 C ATOM 1117 CG HIS A 79 9.484 -5.498 4.910 1.00 0.00 C ATOM 1118 ND1 HIS A 79 8.756 -4.503 5.493 1.00 0.00 N flip ATOM 1119 CD2 HIS A 79 10.790 -5.043 4.852 1.00 0.00 C flip ATOM 1120 CE1 HIS A 79 9.573 -3.496 5.778 1.00 0.00 C flip ATOM 1121 NE2 HIS A 79 10.835 -3.829 5.380 1.00 0.00 N flip ATOM 0 H HIS A 79 8.534 -8.947 3.185 1.00 0.00 H new ATOM 0 HA HIS A 79 7.908 -6.255 2.732 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.173 -7.176 4.929 1.00 0.00 H new ATOM 0 HB3 HIS A 79 9.851 -7.576 4.621 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.630 -5.586 4.445 1.00 0.00 H new ATOM 0 HE1 HIS A 79 9.286 -2.567 6.247 1.00 0.00 H new ATOM 0 HE2 HIS A 79 11.667 -3.246 5.473 1.00 0.00 H new ATOM 1129 N ASP A 80 10.905 -7.158 1.784 1.00 0.00 N ATOM 1130 CA ASP A 80 12.058 -6.746 1.001 1.00 0.00 C ATOM 1131 C ASP A 80 11.593 -6.299 -0.386 1.00 0.00 C ATOM 1132 O ASP A 80 11.931 -5.205 -0.836 1.00 0.00 O ATOM 1133 CB ASP A 80 13.042 -7.903 0.819 1.00 0.00 C ATOM 1134 CG ASP A 80 14.412 -7.695 1.469 1.00 0.00 C ATOM 1135 OD1 ASP A 80 14.493 -7.901 2.699 1.00 0.00 O ATOM 1136 OD2 ASP A 80 15.346 -7.334 0.721 1.00 0.00 O ATOM 0 H ASP A 80 10.923 -8.131 2.090 1.00 0.00 H new ATOM 0 HA ASP A 80 12.552 -5.932 1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.595 -8.808 1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.185 -8.074 -0.248 1.00 0.00 H new ATOM 1141 N GLN A 81 10.824 -7.167 -1.027 1.00 0.00 N ATOM 1142 CA GLN A 81 10.309 -6.875 -2.353 1.00 0.00 C ATOM 1143 C GLN A 81 9.373 -5.666 -2.305 1.00 0.00 C ATOM 1144 O GLN A 81 9.508 -4.740 -3.105 1.00 0.00 O ATOM 1145 CB GLN A 81 9.600 -8.094 -2.947 1.00 0.00 C ATOM 1146 CG GLN A 81 10.588 -9.233 -3.203 1.00 0.00 C ATOM 1147 CD GLN A 81 10.358 -9.860 -4.579 1.00 0.00 C ATOM 1148 OE1 GLN A 81 10.391 -9.200 -5.604 1.00 0.00 O ATOM 1149 NE2 GLN A 81 10.124 -11.169 -4.545 1.00 0.00 N ATOM 0 H GLN A 81 10.545 -8.074 -0.652 1.00 0.00 H new ATOM 0 HA GLN A 81 11.150 -6.633 -3.002 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.819 -8.432 -2.266 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.111 -7.815 -3.880 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.608 -8.855 -3.138 1.00 0.00 H new ATOM 0 HG3 GLN A 81 10.479 -9.994 -2.430 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.110 -11.662 -3.652 1.00 0.00 H new ATOM 0 HE22 GLN A 81 9.958 -11.680 -5.412 1.00 0.00 H new ATOM 1158 N ALA A 82 8.446 -5.712 -1.360 1.00 0.00 N ATOM 1159 CA ALA A 82 7.489 -4.631 -1.197 1.00 0.00 C ATOM 1160 C ALA A 82 8.236 -3.297 -1.145 1.00 0.00 C ATOM 1161 O ALA A 82 7.906 -2.368 -1.881 1.00 0.00 O ATOM 1162 CB ALA A 82 6.649 -4.878 0.057 1.00 0.00 C ATOM 0 H ALA A 82 8.337 -6.481 -0.699 1.00 0.00 H new ATOM 0 HA ALA A 82 6.805 -4.593 -2.045 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.931 -4.067 0.180 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.115 -5.823 -0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 82 7.301 -4.920 0.929 1.00 0.00 H new ATOM 1168 N VAL A 83 9.228 -3.245 -0.269 1.00 0.00 N ATOM 1169 CA VAL A 83 10.024 -2.040 -0.111 1.00 0.00 C ATOM 1170 C VAL A 83 10.605 -1.637 -1.468 1.00 0.00 C ATOM 1171 O VAL A 83 10.392 -0.517 -1.931 1.00 0.00 O ATOM 1172 CB VAL A 83 11.097 -2.257 0.957 1.00 0.00 C ATOM 1173 CG1 VAL A 83 12.218 -1.224 0.827 1.00 0.00 C ATOM 1174 CG2 VAL A 83 10.487 -2.230 2.360 1.00 0.00 C ATOM 0 H VAL A 83 9.499 -4.018 0.339 1.00 0.00 H new ATOM 0 HA VAL A 83 9.402 -1.215 0.236 1.00 0.00 H new ATOM 0 HB VAL A 83 11.532 -3.244 0.799 1.00 0.00 H new ATOM 0 HG11 VAL A 83 12.967 -1.401 1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 83 12.681 -1.311 -0.156 1.00 0.00 H new ATOM 0 HG13 VAL A 83 11.805 -0.222 0.946 1.00 0.00 H new ATOM 0 HG21 VAL A 83 11.271 -2.387 3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 83 10.013 -1.264 2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 83 9.742 -3.020 2.448 1.00 0.00 H new ATOM 1184 N GLU A 84 11.327 -2.572 -2.068 1.00 0.00 N ATOM 1185 CA GLU A 84 11.941 -2.328 -3.363 1.00 0.00 C ATOM 1186 C GLU A 84 10.901 -1.795 -4.351 1.00 0.00 C ATOM 1187 O GLU A 84 11.176 -0.864 -5.105 1.00 0.00 O ATOM 1188 CB GLU A 84 12.609 -3.595 -3.900 1.00 0.00 C ATOM 1189 CG GLU A 84 13.014 -3.422 -5.365 1.00 0.00 C ATOM 1190 CD GLU A 84 14.267 -4.239 -5.688 1.00 0.00 C ATOM 1191 OE1 GLU A 84 14.167 -5.482 -5.617 1.00 0.00 O ATOM 1192 OE2 GLU A 84 15.296 -3.600 -5.998 1.00 0.00 O ATOM 0 H GLU A 84 11.501 -3.500 -1.682 1.00 0.00 H new ATOM 0 HA GLU A 84 12.717 -1.572 -3.239 1.00 0.00 H new ATOM 0 HB2 GLU A 84 13.489 -3.828 -3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.926 -4.439 -3.805 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.195 -3.735 -6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 84 13.199 -2.368 -5.573 1.00 0.00 H new ATOM 1199 N ALA A 85 9.727 -2.409 -4.314 1.00 0.00 N ATOM 1200 CA ALA A 85 8.645 -2.009 -5.197 1.00 0.00 C ATOM 1201 C ALA A 85 8.351 -0.521 -4.993 1.00 0.00 C ATOM 1202 O ALA A 85 8.395 0.260 -5.943 1.00 0.00 O ATOM 1203 CB ALA A 85 7.420 -2.886 -4.933 1.00 0.00 C ATOM 0 H ALA A 85 9.502 -3.181 -3.686 1.00 0.00 H new ATOM 0 HA ALA A 85 8.928 -2.150 -6.240 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.608 -2.586 -5.595 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.673 -3.930 -5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.105 -2.768 -3.896 1.00 0.00 H new ATOM 1209 N PHE A 86 8.058 -0.173 -3.749 1.00 0.00 N ATOM 1210 CA PHE A 86 7.757 1.207 -3.409 1.00 0.00 C ATOM 1211 C PHE A 86 8.976 2.105 -3.631 1.00 0.00 C ATOM 1212 O PHE A 86 8.834 3.306 -3.857 1.00 0.00 O ATOM 1213 CB PHE A 86 7.384 1.231 -1.926 1.00 0.00 C ATOM 1214 CG PHE A 86 5.955 0.768 -1.636 1.00 0.00 C ATOM 1215 CD1 PHE A 86 4.901 1.547 -1.998 1.00 0.00 C ATOM 1216 CD2 PHE A 86 5.739 -0.423 -1.016 1.00 0.00 C ATOM 1217 CE1 PHE A 86 3.574 1.117 -1.728 1.00 0.00 C ATOM 1218 CE2 PHE A 86 4.413 -0.854 -0.747 1.00 0.00 C ATOM 1219 CZ PHE A 86 3.358 -0.074 -1.109 1.00 0.00 C ATOM 0 H PHE A 86 8.023 -0.823 -2.964 1.00 0.00 H new ATOM 0 HA PHE A 86 6.947 1.577 -4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 86 8.079 0.596 -1.377 1.00 0.00 H new ATOM 0 HB3 PHE A 86 7.511 2.245 -1.546 1.00 0.00 H new ATOM 0 HD1 PHE A 86 5.073 2.493 -2.491 1.00 0.00 H new ATOM 0 HD2 PHE A 86 6.576 -1.041 -0.728 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.737 1.736 -2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.242 -1.800 -0.255 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.349 -0.401 -0.905 1.00 0.00 H new ATOM 1229 N LYS A 87 10.146 1.488 -3.559 1.00 0.00 N ATOM 1230 CA LYS A 87 11.389 2.216 -3.749 1.00 0.00 C ATOM 1231 C LYS A 87 11.597 2.479 -5.242 1.00 0.00 C ATOM 1232 O LYS A 87 11.997 3.575 -5.633 1.00 0.00 O ATOM 1233 CB LYS A 87 12.551 1.474 -3.087 1.00 0.00 C ATOM 1234 CG LYS A 87 13.367 2.415 -2.198 1.00 0.00 C ATOM 1235 CD LYS A 87 14.848 2.029 -2.205 1.00 0.00 C ATOM 1236 CE LYS A 87 15.470 2.218 -0.820 1.00 0.00 C ATOM 1237 NZ LYS A 87 16.081 0.954 -0.350 1.00 0.00 N ATOM 0 H LYS A 87 10.260 0.492 -3.372 1.00 0.00 H new ATOM 0 HA LYS A 87 11.341 3.188 -3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 87 12.166 0.647 -2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 87 13.195 1.042 -3.853 1.00 0.00 H new ATOM 0 HG2 LYS A 87 13.253 3.441 -2.548 1.00 0.00 H new ATOM 0 HG3 LYS A 87 12.984 2.381 -1.178 1.00 0.00 H new ATOM 0 HD2 LYS A 87 14.955 0.990 -2.517 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.383 2.638 -2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 87 16.226 3.002 -0.858 1.00 0.00 H new ATOM 0 HE3 LYS A 87 14.707 2.545 -0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 16.499 1.099 0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 15.351 0.215 -0.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 16.823 0.658 -1.016 1.00 0.00 H new ATOM 1251 N THR A 88 11.318 1.456 -6.035 1.00 0.00 N ATOM 1252 CA THR A 88 11.470 1.562 -7.477 1.00 0.00 C ATOM 1253 C THR A 88 10.169 2.053 -8.115 1.00 0.00 C ATOM 1254 O THR A 88 10.106 2.255 -9.327 1.00 0.00 O ATOM 1255 CB THR A 88 11.931 0.203 -8.005 1.00 0.00 C ATOM 1256 OG1 THR A 88 10.950 -0.710 -7.520 1.00 0.00 O ATOM 1257 CG2 THR A 88 13.232 -0.269 -7.353 1.00 0.00 C ATOM 0 H THR A 88 10.987 0.549 -5.707 1.00 0.00 H new ATOM 0 HA THR A 88 12.225 2.302 -7.742 1.00 0.00 H new ATOM 0 HB THR A 88 12.066 0.262 -9.085 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.285 -1.152 -6.712 1.00 0.00 H new ATOM 0 HG21 THR A 88 13.514 -1.238 -7.764 1.00 0.00 H new ATOM 0 HG22 THR A 88 14.023 0.454 -7.553 1.00 0.00 H new ATOM 0 HG23 THR A 88 13.088 -0.359 -6.276 1.00 0.00 H new ATOM 1265 N ALA A 89 9.163 2.230 -7.271 1.00 0.00 N ATOM 1266 CA ALA A 89 7.868 2.694 -7.738 1.00 0.00 C ATOM 1267 C ALA A 89 7.977 4.160 -8.160 1.00 0.00 C ATOM 1268 O ALA A 89 8.763 4.916 -7.591 1.00 0.00 O ATOM 1269 CB ALA A 89 6.823 2.479 -6.641 1.00 0.00 C ATOM 0 H ALA A 89 9.219 2.060 -6.267 1.00 0.00 H new ATOM 0 HA ALA A 89 7.548 2.124 -8.610 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.851 2.827 -6.991 1.00 0.00 H new ATOM 0 HB2 ALA A 89 6.763 1.418 -6.399 1.00 0.00 H new ATOM 0 HB3 ALA A 89 7.110 3.039 -5.751 1.00 0.00 H new ATOM 1275 N LYS A 90 7.176 4.519 -9.153 1.00 0.00 N ATOM 1276 CA LYS A 90 7.173 5.882 -9.657 1.00 0.00 C ATOM 1277 C LYS A 90 5.810 6.520 -9.381 1.00 0.00 C ATOM 1278 O LYS A 90 4.799 5.824 -9.306 1.00 0.00 O ATOM 1279 CB LYS A 90 7.577 5.908 -11.132 1.00 0.00 C ATOM 1280 CG LYS A 90 9.091 6.068 -11.284 1.00 0.00 C ATOM 1281 CD LYS A 90 9.537 7.474 -10.878 1.00 0.00 C ATOM 1282 CE LYS A 90 11.002 7.712 -11.247 1.00 0.00 C ATOM 1283 NZ LYS A 90 11.256 9.155 -11.457 1.00 0.00 N ATOM 0 H LYS A 90 6.525 3.889 -9.622 1.00 0.00 H new ATOM 0 HA LYS A 90 7.918 6.483 -9.136 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.255 4.987 -11.617 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.069 6.729 -11.637 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.602 5.328 -10.668 1.00 0.00 H new ATOM 0 HG3 LYS A 90 9.379 5.876 -12.318 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.909 8.215 -11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 90 9.403 7.606 -9.804 1.00 0.00 H new ATOM 0 HE2 LYS A 90 11.649 7.334 -10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 90 11.250 7.158 -12.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.255 9.299 -11.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.652 9.505 -12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.039 9.676 -10.584 1.00 0.00 H new ATOM 1297 N GLU A 91 5.828 7.837 -9.236 1.00 0.00 N ATOM 1298 CA GLU A 91 4.606 8.577 -8.970 1.00 0.00 C ATOM 1299 C GLU A 91 3.957 9.019 -10.282 1.00 0.00 C ATOM 1300 O GLU A 91 4.650 9.393 -11.227 1.00 0.00 O ATOM 1301 CB GLU A 91 4.879 9.777 -8.061 1.00 0.00 C ATOM 1302 CG GLU A 91 5.823 9.396 -6.918 1.00 0.00 C ATOM 1303 CD GLU A 91 7.247 9.882 -7.198 1.00 0.00 C ATOM 1304 OE1 GLU A 91 7.414 11.116 -7.307 1.00 0.00 O ATOM 1305 OE2 GLU A 91 8.135 9.008 -7.298 1.00 0.00 O ATOM 0 H GLU A 91 6.669 8.411 -9.298 1.00 0.00 H new ATOM 0 HA GLU A 91 3.912 7.918 -8.448 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.317 10.587 -8.644 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.940 10.150 -7.653 1.00 0.00 H new ATOM 0 HG2 GLU A 91 5.464 9.830 -5.985 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.823 8.314 -6.787 1.00 0.00 H new ATOM 1312 N PRO A 92 2.598 8.962 -10.300 1.00 0.00 N ATOM 1313 CA PRO A 92 1.853 8.507 -9.138 1.00 0.00 C ATOM 1314 C PRO A 92 1.951 6.988 -8.984 1.00 0.00 C ATOM 1315 O PRO A 92 1.967 6.260 -9.975 1.00 0.00 O ATOM 1316 CB PRO A 92 0.431 8.991 -9.368 1.00 0.00 C ATOM 1317 CG PRO A 92 0.328 9.290 -10.855 1.00 0.00 C ATOM 1318 CD PRO A 92 1.738 9.326 -11.422 1.00 0.00 C ATOM 0 HA PRO A 92 2.248 8.904 -8.203 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.293 8.232 -9.071 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.221 9.881 -8.775 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -0.266 8.527 -11.358 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -0.174 10.244 -11.019 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.850 8.626 -12.250 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.985 10.316 -11.806 1.00 0.00 H new ATOM 1326 N ILE A 93 2.013 6.555 -7.733 1.00 0.00 N ATOM 1327 CA ILE A 93 2.108 5.136 -7.436 1.00 0.00 C ATOM 1328 C ILE A 93 0.708 4.581 -7.165 1.00 0.00 C ATOM 1329 O ILE A 93 0.088 4.916 -6.157 1.00 0.00 O ATOM 1330 CB ILE A 93 3.098 4.892 -6.296 1.00 0.00 C ATOM 1331 CG1 ILE A 93 4.458 5.520 -6.607 1.00 0.00 C ATOM 1332 CG2 ILE A 93 3.215 3.399 -5.981 1.00 0.00 C ATOM 1333 CD1 ILE A 93 5.211 5.862 -5.319 1.00 0.00 C ATOM 0 H ILE A 93 1.999 7.162 -6.914 1.00 0.00 H new ATOM 0 HA ILE A 93 2.506 4.593 -8.294 1.00 0.00 H new ATOM 0 HB ILE A 93 2.715 5.381 -5.400 1.00 0.00 H new ATOM 0 HG12 ILE A 93 5.052 4.831 -7.208 1.00 0.00 H new ATOM 0 HG13 ILE A 93 4.318 6.423 -7.202 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.925 3.253 -5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.240 3.012 -5.685 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.564 2.867 -6.866 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.174 6.307 -5.568 1.00 0.00 H new ATOM 0 HD12 ILE A 93 4.625 6.570 -4.732 1.00 0.00 H new ATOM 0 HD13 ILE A 93 5.370 4.953 -4.738 1.00 0.00 H new ATOM 1345 N VAL A 94 0.251 3.741 -8.082 1.00 0.00 N ATOM 1346 CA VAL A 94 -1.064 3.136 -7.954 1.00 0.00 C ATOM 1347 C VAL A 94 -0.964 1.889 -7.073 1.00 0.00 C ATOM 1348 O VAL A 94 -0.389 0.881 -7.482 1.00 0.00 O ATOM 1349 CB VAL A 94 -1.643 2.845 -9.340 1.00 0.00 C ATOM 1350 CG1 VAL A 94 -3.060 2.277 -9.234 1.00 0.00 C ATOM 1351 CG2 VAL A 94 -1.618 4.097 -10.219 1.00 0.00 C ATOM 0 H VAL A 94 0.768 3.465 -8.917 1.00 0.00 H new ATOM 0 HA VAL A 94 -1.755 3.823 -7.466 1.00 0.00 H new ATOM 0 HB VAL A 94 -1.015 2.091 -9.814 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -3.448 2.079 -10.233 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.038 1.349 -8.663 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -3.704 2.998 -8.731 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -2.035 3.862 -11.198 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -2.211 4.882 -9.751 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -0.590 4.440 -10.335 1.00 0.00 H new ATOM 1361 N VAL A 95 -1.532 1.998 -5.882 1.00 0.00 N ATOM 1362 CA VAL A 95 -1.514 0.891 -4.940 1.00 0.00 C ATOM 1363 C VAL A 95 -2.949 0.439 -4.663 1.00 0.00 C ATOM 1364 O VAL A 95 -3.882 1.237 -4.746 1.00 0.00 O ATOM 1365 CB VAL A 95 -0.759 1.296 -3.672 1.00 0.00 C ATOM 1366 CG1 VAL A 95 0.055 0.123 -3.121 1.00 0.00 C ATOM 1367 CG2 VAL A 95 0.134 2.511 -3.929 1.00 0.00 C ATOM 0 H VAL A 95 -2.008 2.836 -5.547 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.981 0.039 -5.362 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.495 1.576 -2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.582 0.437 -2.220 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -0.614 -0.703 -2.881 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.778 -0.202 -3.869 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.659 2.777 -3.012 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.860 2.271 -4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.480 3.352 -4.253 1.00 0.00 H new ATOM 1377 N GLN A 96 -3.081 -0.839 -4.340 1.00 0.00 N ATOM 1378 CA GLN A 96 -4.386 -1.407 -4.050 1.00 0.00 C ATOM 1379 C GLN A 96 -4.348 -2.182 -2.731 1.00 0.00 C ATOM 1380 O GLN A 96 -3.447 -2.989 -2.508 1.00 0.00 O ATOM 1381 CB GLN A 96 -4.862 -2.300 -5.197 1.00 0.00 C ATOM 1382 CG GLN A 96 -6.070 -3.139 -4.774 1.00 0.00 C ATOM 1383 CD GLN A 96 -7.209 -3.010 -5.788 1.00 0.00 C ATOM 1384 OE1 GLN A 96 -8.316 -2.464 -5.292 1.00 0.00 O flip ATOM 1385 NE2 GLN A 96 -7.091 -3.382 -6.944 1.00 0.00 N flip ATOM 0 H GLN A 96 -2.305 -1.498 -4.273 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.101 -0.590 -3.948 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.126 -1.684 -6.057 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -4.051 -2.957 -5.512 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.777 -4.185 -4.682 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -6.415 -2.817 -3.791 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.213 -3.793 -7.260 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -7.871 -3.282 -7.594 1.00 0.00 H new ATOM 1394 N VAL A 97 -5.336 -1.909 -1.892 1.00 0.00 N ATOM 1395 CA VAL A 97 -5.427 -2.570 -0.602 1.00 0.00 C ATOM 1396 C VAL A 97 -6.793 -3.247 -0.475 1.00 0.00 C ATOM 1397 O VAL A 97 -7.704 -2.964 -1.251 1.00 0.00 O ATOM 1398 CB VAL A 97 -5.149 -1.568 0.520 1.00 0.00 C ATOM 1399 CG1 VAL A 97 -3.676 -1.153 0.533 1.00 0.00 C ATOM 1400 CG2 VAL A 97 -6.062 -0.346 0.403 1.00 0.00 C ATOM 0 H VAL A 97 -6.081 -1.238 -2.081 1.00 0.00 H new ATOM 0 HA VAL A 97 -4.670 -3.350 -0.518 1.00 0.00 H new ATOM 0 HB VAL A 97 -5.367 -2.059 1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -3.506 -0.440 1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.051 -2.033 0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.420 -0.690 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.844 0.350 1.213 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -5.891 0.146 -0.555 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.103 -0.662 0.467 1.00 0.00 H new ATOM 1410 N LEU A 98 -6.892 -4.128 0.510 1.00 0.00 N ATOM 1411 CA LEU A 98 -8.132 -4.846 0.749 1.00 0.00 C ATOM 1412 C LEU A 98 -8.725 -4.402 2.088 1.00 0.00 C ATOM 1413 O LEU A 98 -8.112 -4.597 3.136 1.00 0.00 O ATOM 1414 CB LEU A 98 -7.904 -6.356 0.648 1.00 0.00 C ATOM 1415 CG LEU A 98 -7.936 -6.946 -0.764 1.00 0.00 C ATOM 1416 CD1 LEU A 98 -7.372 -8.368 -0.776 1.00 0.00 C ATOM 1417 CD2 LEU A 98 -9.347 -6.884 -1.352 1.00 0.00 C ATOM 0 H LEU A 98 -6.134 -4.361 1.151 1.00 0.00 H new ATOM 0 HA LEU A 98 -8.866 -4.605 -0.020 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.938 -6.588 1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -8.662 -6.859 1.248 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.294 -6.339 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.406 -8.764 -1.791 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.340 -8.353 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.968 -9.001 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -9.342 -7.309 -2.356 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -10.030 -7.452 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -9.676 -5.846 -1.400 1.00 0.00 H new