USER MOD reduce.3.24.130724 H: found=0, std=0, add=904, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 906 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 107 LYS NZ :NH3+ -176:sc= 2.23 (180deg=1.04) USER MOD Set 1.2: A 108 ASN : amide:sc= -1.02! C(o=1.2!,f=-17!) USER MOD Single : A 3 THR OG1 : rot 29:sc= 0.145 USER MOD Single : A 10 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.39) USER MOD Single : A 11 THR OG1 : rot 80:sc= -0.4 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00908 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.00692 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.261 USER MOD Single : A 22 LYS NZ :NH3+ -171:sc= 0.631 (180deg=0.535) USER MOD Single : A 25 ASN : amide:sc= -3.62! C(o=-3.6!,f=-4.8!) USER MOD Single : A 31 GLN :FLIP amide:sc= -3.52! C(o=-9.6!,f=-3.5!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 107:sc= 1.22 USER MOD Single : A 42 ASN : amide:sc= -5.59! C(o=-5.6!,f=-5.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0571 K(o=-0.057,f=-1.6!) USER MOD Single : A 60 ASN : amide:sc= 1.04 K(o=1,f=-2.7!) USER MOD Single : A 63 GLN :FLIP amide:sc= -3.3! C(o=-6.9!,f=-3.3!) USER MOD Single : A 69 LYS NZ :NH3+ 164:sc= -0.0268 (180deg=-0.274) USER MOD Single : A 70 TYR OH : rot 165:sc= 0 USER MOD Single : A 71 HIS : no HE2:sc= 1.09 K(o=1.1,f=-4.4!) USER MOD Single : A 77 TYR OH : rot 114:sc= 0.425 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -122:sc= 0.024 (180deg=-0.363) USER MOD Single : A 85 MET CE :methyl 141:sc= -0.16 (180deg=-0.823) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.179 USER MOD Single : A 90 SER OG : rot 170:sc= 0.261 USER MOD Single : A 94 SER OG : rot 160:sc= 0.756 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0842 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.00016) USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=-0.076) USER MOD Single : A 110 THR OG1 : rot 75:sc= 0.0298 USER MOD Single : A 120 ASN : amide:sc= -0.0735 K(o=-0.073,f=-1.5!) USER MOD Single : A 124 HIS : +bothHN:sc= -0.362 K(o=-0.36,f=-3.3) USER MOD Single : A 128 THR OG1 : rot 82:sc= 0.212 USER MOD ----------------------------------------------------------------- ATOM 30 N THR A 3 -15.175 10.031 -3.318 1.00 0.00 N ATOM 31 CA THR A 3 -13.923 9.301 -3.381 1.00 0.00 C ATOM 32 C THR A 3 -14.211 7.818 -3.626 1.00 0.00 C ATOM 33 O THR A 3 -15.245 7.304 -3.197 1.00 0.00 O ATOM 34 CB THR A 3 -13.149 9.487 -2.059 1.00 0.00 C ATOM 35 OG1 THR A 3 -12.966 10.884 -1.804 1.00 0.00 O ATOM 36 CG2 THR A 3 -11.790 8.801 -2.094 1.00 0.00 C ATOM 0 HA THR A 3 -13.314 9.683 -4.200 1.00 0.00 H new ATOM 0 HB THR A 3 -13.737 9.028 -1.264 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.708 11.388 -2.199 1.00 0.00 H new ATOM 0 HG21 THR A 3 -11.279 8.957 -1.144 1.00 0.00 H new ATOM 0 HG22 THR A 3 -11.926 7.733 -2.262 1.00 0.00 H new ATOM 0 HG23 THR A 3 -11.191 9.222 -2.902 1.00 0.00 H new ATOM 44 N ILE A 4 -13.295 7.141 -4.324 1.00 0.00 N ATOM 45 CA ILE A 4 -13.467 5.733 -4.697 1.00 0.00 C ATOM 46 C ILE A 4 -13.754 4.831 -3.495 1.00 0.00 C ATOM 47 O ILE A 4 -14.278 3.728 -3.649 1.00 0.00 O ATOM 48 CB ILE A 4 -12.240 5.192 -5.479 1.00 0.00 C ATOM 49 CG1 ILE A 4 -10.905 5.659 -4.868 1.00 0.00 C ATOM 50 CG2 ILE A 4 -12.322 5.618 -6.937 1.00 0.00 C ATOM 51 CD1 ILE A 4 -10.526 4.975 -3.572 1.00 0.00 C ATOM 0 H ILE A 4 -12.418 7.550 -4.645 1.00 0.00 H new ATOM 0 HA ILE A 4 -14.341 5.706 -5.348 1.00 0.00 H new ATOM 0 HB ILE A 4 -12.266 4.104 -5.411 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -10.111 5.493 -5.596 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -10.958 6.734 -4.693 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -11.457 5.234 -7.478 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -13.234 5.220 -7.382 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -12.334 6.706 -6.998 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -9.573 5.368 -3.218 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -11.296 5.162 -2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -10.436 3.902 -3.740 1.00 0.00 H new ATOM 63 N VAL A 5 -13.395 5.301 -2.310 1.00 0.00 N ATOM 64 CA VAL A 5 -13.656 4.580 -1.080 1.00 0.00 C ATOM 65 C VAL A 5 -14.988 5.011 -0.464 1.00 0.00 C ATOM 66 O VAL A 5 -15.712 4.206 0.107 1.00 0.00 O ATOM 67 CB VAL A 5 -12.525 4.800 -0.063 1.00 0.00 C ATOM 68 CG1 VAL A 5 -12.196 6.276 0.090 1.00 0.00 C ATOM 69 CG2 VAL A 5 -12.905 4.201 1.259 1.00 0.00 C ATOM 0 H VAL A 5 -12.916 6.191 -2.177 1.00 0.00 H new ATOM 0 HA VAL A 5 -13.708 3.520 -1.328 1.00 0.00 H new ATOM 0 HB VAL A 5 -11.629 4.303 -0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.392 6.396 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.879 6.680 -0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -13.080 6.812 0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.099 4.360 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -13.815 4.676 1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.077 3.131 1.138 1.00 0.00 H new ATOM 79 N ASP A 6 -15.279 6.297 -0.575 1.00 0.00 N ATOM 80 CA ASP A 6 -16.519 6.883 -0.065 1.00 0.00 C ATOM 81 C ASP A 6 -17.716 6.087 -0.535 1.00 0.00 C ATOM 82 O ASP A 6 -18.590 5.710 0.250 1.00 0.00 O ATOM 83 CB ASP A 6 -16.652 8.316 -0.572 1.00 0.00 C ATOM 84 CG ASP A 6 -17.822 9.063 0.044 1.00 0.00 C ATOM 85 OD1 ASP A 6 -18.966 8.863 -0.410 1.00 0.00 O ATOM 86 OD2 ASP A 6 -17.600 9.857 0.978 1.00 0.00 O1- ATOM 0 H ASP A 6 -14.660 6.973 -1.024 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.485 6.869 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -15.730 8.857 -0.358 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.769 8.302 -1.656 1.00 0.00 H new ATOM 91 N ILE A 7 -17.724 5.828 -1.829 1.00 0.00 N ATOM 92 CA ILE A 7 -18.804 5.095 -2.465 1.00 0.00 C ATOM 93 C ILE A 7 -18.971 3.691 -1.871 1.00 0.00 C ATOM 94 O ILE A 7 -20.039 3.108 -1.962 1.00 0.00 O ATOM 95 CB ILE A 7 -18.592 4.973 -3.984 1.00 0.00 C ATOM 96 CG1 ILE A 7 -18.186 6.326 -4.559 1.00 0.00 C ATOM 97 CG2 ILE A 7 -19.879 4.488 -4.649 1.00 0.00 C ATOM 98 CD1 ILE A 7 -17.356 6.224 -5.818 1.00 0.00 C ATOM 0 H ILE A 7 -16.984 6.119 -2.468 1.00 0.00 H new ATOM 0 HA ILE A 7 -19.710 5.670 -2.275 1.00 0.00 H new ATOM 0 HB ILE A 7 -17.798 4.252 -4.178 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -19.084 6.905 -4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -17.623 6.877 -3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -19.723 4.403 -5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -20.153 3.514 -4.244 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -20.680 5.200 -4.453 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -17.104 7.224 -6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -16.440 5.673 -5.606 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -17.924 5.701 -6.587 1.00 0.00 H new ATOM 110 N ALA A 8 -17.924 3.158 -1.246 1.00 0.00 N ATOM 111 CA ALA A 8 -17.983 1.809 -0.681 1.00 0.00 C ATOM 112 C ALA A 8 -19.061 1.705 0.397 1.00 0.00 C ATOM 113 O ALA A 8 -19.706 0.670 0.544 1.00 0.00 O ATOM 114 CB ALA A 8 -16.627 1.402 -0.125 1.00 0.00 C ATOM 0 H ALA A 8 -17.031 3.633 -1.118 1.00 0.00 H new ATOM 0 HA ALA A 8 -18.248 1.122 -1.484 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -16.691 0.396 0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -15.886 1.418 -0.925 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.330 2.100 0.658 1.00 0.00 H new ATOM 120 N VAL A 9 -19.241 2.776 1.160 1.00 0.00 N ATOM 121 CA VAL A 9 -20.341 2.851 2.120 1.00 0.00 C ATOM 122 C VAL A 9 -21.648 3.212 1.403 1.00 0.00 C ATOM 123 O VAL A 9 -22.741 2.851 1.842 1.00 0.00 O ATOM 124 CB VAL A 9 -20.054 3.895 3.224 1.00 0.00 C ATOM 125 CG1 VAL A 9 -21.156 3.898 4.276 1.00 0.00 C ATOM 126 CG2 VAL A 9 -18.703 3.633 3.869 1.00 0.00 C ATOM 0 H VAL A 9 -18.644 3.602 1.135 1.00 0.00 H new ATOM 0 HA VAL A 9 -20.439 1.871 2.588 1.00 0.00 H new ATOM 0 HB VAL A 9 -20.031 4.880 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -20.928 4.641 5.040 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -22.108 4.142 3.805 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.221 2.913 4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -18.519 4.378 4.643 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -18.699 2.638 4.314 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -17.921 3.695 3.113 1.00 0.00 H new ATOM 136 N ASN A 10 -21.511 3.901 0.279 1.00 0.00 N ATOM 137 CA ASN A 10 -22.654 4.387 -0.501 1.00 0.00 C ATOM 138 C ASN A 10 -23.292 3.261 -1.315 1.00 0.00 C ATOM 139 O ASN A 10 -24.477 3.312 -1.647 1.00 0.00 O ATOM 140 CB ASN A 10 -22.170 5.489 -1.451 1.00 0.00 C ATOM 141 CG ASN A 10 -23.260 6.112 -2.294 1.00 0.00 C ATOM 142 OD1 ASN A 10 -24.429 6.165 -1.908 1.00 0.00 O ATOM 143 ND2 ASN A 10 -22.865 6.623 -3.445 1.00 0.00 N ATOM 0 H ASN A 10 -20.605 4.142 -0.123 1.00 0.00 H new ATOM 0 HA ASN A 10 -23.406 4.774 0.187 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -21.689 6.272 -0.864 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -21.409 5.073 -2.112 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -23.539 7.085 -4.056 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -21.886 6.556 -3.724 1.00 0.00 H new ATOM 150 N THR A 11 -22.502 2.244 -1.624 1.00 0.00 N ATOM 151 CA THR A 11 -22.935 1.185 -2.516 1.00 0.00 C ATOM 152 C THR A 11 -24.071 0.357 -1.941 1.00 0.00 C ATOM 153 O THR A 11 -24.073 0.013 -0.758 1.00 0.00 O ATOM 154 CB THR A 11 -21.779 0.257 -2.892 1.00 0.00 C ATOM 155 OG1 THR A 11 -21.016 -0.084 -1.730 1.00 0.00 O ATOM 156 CG2 THR A 11 -20.899 0.917 -3.933 1.00 0.00 C ATOM 0 H THR A 11 -21.553 2.132 -1.267 1.00 0.00 H new ATOM 0 HA THR A 11 -23.301 1.690 -3.410 1.00 0.00 H new ATOM 0 HB THR A 11 -22.188 -0.661 -3.315 1.00 0.00 H new ATOM 0 HG1 THR A 11 -21.475 -0.794 -1.234 1.00 0.00 H new ATOM 0 HG21 THR A 11 -20.079 0.248 -4.194 1.00 0.00 H new ATOM 0 HG22 THR A 11 -21.489 1.133 -4.824 1.00 0.00 H new ATOM 0 HG23 THR A 11 -20.495 1.846 -3.532 1.00 0.00 H new ATOM 164 N PRO A 12 -25.044 0.016 -2.790 1.00 0.00 N ATOM 165 CA PRO A 12 -26.220 -0.752 -2.400 1.00 0.00 C ATOM 166 C PRO A 12 -25.954 -2.254 -2.383 1.00 0.00 C ATOM 167 O PRO A 12 -26.601 -3.027 -3.092 1.00 0.00 O ATOM 168 CB PRO A 12 -27.207 -0.374 -3.494 1.00 0.00 C ATOM 169 CG PRO A 12 -26.345 -0.293 -4.688 1.00 0.00 C ATOM 170 CD PRO A 12 -25.089 0.367 -4.222 1.00 0.00 C ATOM 0 HA PRO A 12 -26.564 -0.535 -1.389 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -27.991 -1.122 -3.610 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -27.701 0.575 -3.285 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -26.141 -1.284 -5.094 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -26.823 0.284 -5.480 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -24.215 -0.005 -4.757 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -25.120 1.446 -4.373 1.00 0.00 H new ATOM 178 N GLY A 13 -24.991 -2.657 -1.570 1.00 0.00 N ATOM 179 CA GLY A 13 -24.635 -4.055 -1.486 1.00 0.00 C ATOM 180 C GLY A 13 -23.763 -4.485 -2.644 1.00 0.00 C ATOM 181 O GLY A 13 -23.985 -5.536 -3.243 1.00 0.00 O ATOM 0 H GLY A 13 -24.449 -2.039 -0.966 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -24.111 -4.241 -0.548 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -25.541 -4.660 -1.470 1.00 0.00 H new ATOM 185 N PHE A 14 -22.780 -3.655 -2.968 1.00 0.00 N ATOM 186 CA PHE A 14 -21.872 -3.936 -4.079 1.00 0.00 C ATOM 187 C PHE A 14 -20.992 -5.153 -3.839 1.00 0.00 C ATOM 188 O PHE A 14 -21.087 -5.828 -2.808 1.00 0.00 O ATOM 189 CB PHE A 14 -20.971 -2.739 -4.366 1.00 0.00 C ATOM 190 CG PHE A 14 -21.340 -1.999 -5.618 1.00 0.00 C ATOM 191 CD1 PHE A 14 -22.655 -1.637 -5.862 1.00 0.00 C ATOM 192 CD2 PHE A 14 -20.373 -1.665 -6.552 1.00 0.00 C ATOM 193 CE1 PHE A 14 -22.999 -0.957 -7.012 1.00 0.00 C ATOM 194 CE2 PHE A 14 -20.711 -0.983 -7.705 1.00 0.00 C ATOM 195 CZ PHE A 14 -22.026 -0.628 -7.935 1.00 0.00 C ATOM 0 H PHE A 14 -22.589 -2.781 -2.479 1.00 0.00 H new ATOM 0 HA PHE A 14 -22.515 -4.143 -4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -21.013 -2.052 -3.521 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -19.939 -3.082 -4.447 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -23.420 -1.890 -5.143 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -19.344 -1.941 -6.377 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -24.028 -0.682 -7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -19.948 -0.728 -8.426 1.00 0.00 H new ATOM 0 HZ PHE A 14 -22.293 -0.094 -8.835 1.00 0.00 H new ATOM 205 N SER A 15 -20.136 -5.406 -4.818 1.00 0.00 N ATOM 206 CA SER A 15 -19.161 -6.476 -4.764 1.00 0.00 C ATOM 207 C SER A 15 -18.285 -6.355 -3.520 1.00 0.00 C ATOM 208 O SER A 15 -18.144 -5.273 -2.941 1.00 0.00 O ATOM 209 CB SER A 15 -18.291 -6.405 -6.016 1.00 0.00 C ATOM 210 OG SER A 15 -19.092 -6.322 -7.182 1.00 0.00 O ATOM 0 H SER A 15 -20.102 -4.865 -5.682 1.00 0.00 H new ATOM 0 HA SER A 15 -19.682 -7.432 -4.717 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.634 -5.537 -5.959 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.652 -7.286 -6.071 1.00 0.00 H new ATOM 0 HG SER A 15 -18.515 -6.276 -7.973 1.00 0.00 H new ATOM 216 N THR A 16 -17.688 -7.475 -3.135 1.00 0.00 N ATOM 217 CA THR A 16 -16.847 -7.547 -1.951 1.00 0.00 C ATOM 218 C THR A 16 -15.681 -6.568 -2.033 1.00 0.00 C ATOM 219 O THR A 16 -15.072 -6.235 -1.025 1.00 0.00 O ATOM 220 CB THR A 16 -16.315 -8.978 -1.744 1.00 0.00 C ATOM 221 OG1 THR A 16 -17.361 -9.924 -2.007 1.00 0.00 O ATOM 222 CG2 THR A 16 -15.804 -9.171 -0.324 1.00 0.00 C ATOM 0 H THR A 16 -17.774 -8.359 -3.636 1.00 0.00 H new ATOM 0 HA THR A 16 -17.466 -7.271 -1.097 1.00 0.00 H new ATOM 0 HB THR A 16 -15.487 -9.138 -2.434 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.020 -10.833 -1.876 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.434 -10.190 -0.206 1.00 0.00 H new ATOM 0 HG22 THR A 16 -14.995 -8.467 -0.129 1.00 0.00 H new ATOM 0 HG23 THR A 16 -16.616 -8.995 0.382 1.00 0.00 H new ATOM 230 N LEU A 17 -15.381 -6.107 -3.239 1.00 0.00 N ATOM 231 CA LEU A 17 -14.353 -5.097 -3.444 1.00 0.00 C ATOM 232 C LEU A 17 -14.602 -3.870 -2.563 1.00 0.00 C ATOM 233 O LEU A 17 -13.657 -3.245 -2.076 1.00 0.00 O ATOM 234 CB LEU A 17 -14.289 -4.675 -4.920 1.00 0.00 C ATOM 235 CG LEU A 17 -13.669 -5.696 -5.886 1.00 0.00 C ATOM 236 CD1 LEU A 17 -14.554 -6.923 -6.049 1.00 0.00 C ATOM 237 CD2 LEU A 17 -13.410 -5.051 -7.239 1.00 0.00 C ATOM 0 H LEU A 17 -15.839 -6.419 -4.096 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.397 -5.539 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -15.301 -4.453 -5.258 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -13.720 -3.748 -4.988 1.00 0.00 H new ATOM 0 HG LEU A 17 -12.722 -6.024 -5.458 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.083 -7.622 -6.739 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.690 -7.405 -5.081 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -15.524 -6.622 -6.444 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.971 -5.785 -7.914 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -14.350 -4.691 -7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.723 -4.213 -7.117 1.00 0.00 H new ATOM 249 N VAL A 18 -15.874 -3.513 -2.361 1.00 0.00 N ATOM 250 CA VAL A 18 -16.201 -2.366 -1.518 1.00 0.00 C ATOM 251 C VAL A 18 -16.213 -2.779 -0.060 1.00 0.00 C ATOM 252 O VAL A 18 -15.910 -1.992 0.835 1.00 0.00 O ATOM 253 CB VAL A 18 -17.563 -1.729 -1.884 1.00 0.00 C ATOM 254 CG1 VAL A 18 -17.696 -1.600 -3.389 1.00 0.00 C ATOM 255 CG2 VAL A 18 -18.736 -2.513 -1.298 1.00 0.00 C ATOM 0 H VAL A 18 -16.679 -3.994 -2.763 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.430 -1.615 -1.690 1.00 0.00 H new ATOM 0 HB VAL A 18 -17.592 -0.733 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.659 -1.150 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -16.894 -0.969 -3.772 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -17.631 -2.587 -3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -19.672 -2.031 -1.579 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -18.722 -3.532 -1.685 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -18.652 -2.536 -0.211 1.00 0.00 H new ATOM 265 N THR A 19 -16.569 -4.025 0.166 1.00 0.00 N ATOM 266 CA THR A 19 -16.760 -4.520 1.504 1.00 0.00 C ATOM 267 C THR A 19 -15.435 -4.883 2.158 1.00 0.00 C ATOM 268 O THR A 19 -15.295 -4.771 3.363 1.00 0.00 O ATOM 269 CB THR A 19 -17.691 -5.733 1.505 1.00 0.00 C ATOM 270 OG1 THR A 19 -18.537 -5.691 0.347 1.00 0.00 O ATOM 271 CG2 THR A 19 -18.549 -5.722 2.757 1.00 0.00 C ATOM 0 H THR A 19 -16.732 -4.715 -0.568 1.00 0.00 H new ATOM 0 HA THR A 19 -17.219 -3.720 2.085 1.00 0.00 H new ATOM 0 HB THR A 19 -17.092 -6.643 1.486 1.00 0.00 H new ATOM 0 HG1 THR A 19 -19.132 -6.470 0.348 1.00 0.00 H new ATOM 0 HG21 THR A 19 -19.210 -6.588 2.752 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.908 -5.759 3.638 1.00 0.00 H new ATOM 0 HG23 THR A 19 -19.146 -4.810 2.781 1.00 0.00 H new ATOM 279 N ALA A 20 -14.466 -5.288 1.352 1.00 0.00 N ATOM 280 CA ALA A 20 -13.155 -5.682 1.852 1.00 0.00 C ATOM 281 C ALA A 20 -12.414 -4.509 2.499 1.00 0.00 C ATOM 282 O ALA A 20 -11.681 -4.691 3.464 1.00 0.00 O ATOM 283 CB ALA A 20 -12.353 -6.309 0.734 1.00 0.00 C ATOM 0 H ALA A 20 -14.563 -5.353 0.339 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.292 -6.424 2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.373 -6.603 1.110 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -12.877 -7.188 0.359 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.230 -5.588 -0.074 1.00 0.00 H new ATOM 289 N VAL A 21 -12.615 -3.304 1.986 1.00 0.00 N ATOM 290 CA VAL A 21 -12.094 -2.111 2.652 1.00 0.00 C ATOM 291 C VAL A 21 -13.004 -1.728 3.820 1.00 0.00 C ATOM 292 O VAL A 21 -12.540 -1.313 4.884 1.00 0.00 O ATOM 293 CB VAL A 21 -11.941 -0.911 1.680 1.00 0.00 C ATOM 294 CG1 VAL A 21 -13.102 -0.834 0.692 1.00 0.00 C ATOM 295 CG2 VAL A 21 -11.840 0.381 2.467 1.00 0.00 C ATOM 0 H VAL A 21 -13.127 -3.123 1.123 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.098 -2.354 3.023 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.027 -1.060 1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.959 0.019 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.140 -1.750 0.103 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.038 -0.716 1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.733 1.219 1.778 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.742 0.515 3.064 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.972 0.339 3.125 1.00 0.00 H new ATOM 305 N LYS A 22 -14.301 -1.904 3.612 1.00 0.00 N ATOM 306 CA LYS A 22 -15.315 -1.592 4.609 1.00 0.00 C ATOM 307 C LYS A 22 -15.134 -2.432 5.870 1.00 0.00 C ATOM 308 O LYS A 22 -15.289 -1.942 6.985 1.00 0.00 O ATOM 309 CB LYS A 22 -16.701 -1.832 3.996 1.00 0.00 C ATOM 310 CG LYS A 22 -17.445 -0.580 3.635 1.00 0.00 C ATOM 311 CD LYS A 22 -18.900 -0.864 3.390 1.00 0.00 C ATOM 312 CE LYS A 22 -19.006 -1.922 2.340 1.00 0.00 C ATOM 313 NZ LYS A 22 -20.304 -1.890 1.618 1.00 0.00 N1+ ATOM 0 H LYS A 22 -14.682 -2.270 2.740 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.215 -0.547 4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -16.588 -2.444 3.101 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.302 -2.407 4.701 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.345 0.150 4.438 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.003 -0.136 2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -19.382 -1.194 4.310 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -19.414 0.042 3.068 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.194 -1.799 1.623 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.877 -2.901 2.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.385 -2.732 1.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -21.084 -1.882 2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -20.353 -1.034 1.029 1.00 0.00 H new ATOM 327 N VAL A 23 -14.795 -3.693 5.675 1.00 0.00 N ATOM 328 CA VAL A 23 -14.568 -4.615 6.778 1.00 0.00 C ATOM 329 C VAL A 23 -13.207 -4.361 7.410 1.00 0.00 C ATOM 330 O VAL A 23 -13.040 -4.447 8.629 1.00 0.00 O ATOM 331 CB VAL A 23 -14.648 -6.082 6.307 1.00 0.00 C ATOM 332 CG1 VAL A 23 -13.624 -6.364 5.221 1.00 0.00 C ATOM 333 CG2 VAL A 23 -14.451 -7.012 7.484 1.00 0.00 C ATOM 0 H VAL A 23 -14.669 -4.108 4.752 1.00 0.00 H new ATOM 0 HA VAL A 23 -15.351 -4.443 7.517 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.636 -6.256 5.882 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.703 -7.405 4.908 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -13.811 -5.713 4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.622 -6.176 5.608 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -14.509 -8.046 7.144 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.474 -6.831 7.931 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.229 -6.830 8.226 1.00 0.00 H new ATOM 343 N ALA A 24 -12.248 -4.016 6.566 1.00 0.00 N ATOM 344 CA ALA A 24 -10.884 -3.772 7.001 1.00 0.00 C ATOM 345 C ALA A 24 -10.775 -2.449 7.733 1.00 0.00 C ATOM 346 O ALA A 24 -9.716 -2.109 8.244 1.00 0.00 O ATOM 347 CB ALA A 24 -9.951 -3.759 5.821 1.00 0.00 C ATOM 0 H ALA A 24 -12.393 -3.898 5.563 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.605 -4.578 7.680 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.933 -3.575 6.164 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -9.994 -4.722 5.313 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.249 -2.970 5.130 1.00 0.00 H new ATOM 353 N ASN A 25 -11.877 -1.701 7.725 1.00 0.00 N ATOM 354 CA ASN A 25 -12.002 -0.422 8.408 1.00 0.00 C ATOM 355 C ASN A 25 -11.215 0.688 7.709 1.00 0.00 C ATOM 356 O ASN A 25 -11.098 1.803 8.217 1.00 0.00 O ATOM 357 CB ASN A 25 -11.680 -0.588 9.914 1.00 0.00 C ATOM 358 CG ASN A 25 -10.229 -0.399 10.373 1.00 0.00 C ATOM 359 OD1 ASN A 25 -9.725 -1.210 11.150 1.00 0.00 O ATOM 360 ND2 ASN A 25 -9.577 0.682 9.986 1.00 0.00 N ATOM 0 H ASN A 25 -12.726 -1.977 7.231 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.038 -0.088 8.349 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.298 0.120 10.466 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.996 -1.587 10.213 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.634 0.860 10.332 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.016 1.339 9.341 1.00 0.00 H new ATOM 367 N LEU A 26 -10.739 0.405 6.504 1.00 0.00 N ATOM 368 CA LEU A 26 -9.989 1.393 5.738 1.00 0.00 C ATOM 369 C LEU A 26 -10.903 2.275 4.915 1.00 0.00 C ATOM 370 O LEU A 26 -10.436 3.083 4.111 1.00 0.00 O ATOM 371 CB LEU A 26 -8.947 0.738 4.841 1.00 0.00 C ATOM 372 CG LEU A 26 -7.571 0.583 5.484 1.00 0.00 C ATOM 373 CD1 LEU A 26 -7.592 -0.470 6.569 1.00 0.00 C ATOM 374 CD2 LEU A 26 -6.534 0.254 4.438 1.00 0.00 C ATOM 0 H LEU A 26 -10.857 -0.494 6.038 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.471 2.020 6.463 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.309 -0.246 4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.845 1.329 3.931 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.305 1.533 5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.599 -0.559 7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.307 -0.183 7.341 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.886 -1.428 6.140 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.559 0.147 4.913 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.801 -0.679 3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.492 1.057 3.702 1.00 0.00 H new ATOM 386 N VAL A 27 -12.199 2.120 5.122 1.00 0.00 N ATOM 387 CA VAL A 27 -13.181 2.962 4.461 1.00 0.00 C ATOM 388 C VAL A 27 -12.925 4.422 4.789 1.00 0.00 C ATOM 389 O VAL A 27 -13.108 5.294 3.957 1.00 0.00 O ATOM 390 CB VAL A 27 -14.615 2.561 4.867 1.00 0.00 C ATOM 391 CG1 VAL A 27 -15.380 3.710 5.515 1.00 0.00 C ATOM 392 CG2 VAL A 27 -15.369 2.022 3.660 1.00 0.00 C ATOM 0 H VAL A 27 -12.597 1.417 5.745 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.084 2.821 3.385 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.534 1.776 5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.382 3.375 5.782 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.855 4.036 6.413 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.450 4.542 4.814 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.380 1.742 3.958 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.418 2.790 2.888 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -14.851 1.147 3.268 1.00 0.00 H new ATOM 402 N GLU A 28 -12.496 4.667 6.010 1.00 0.00 N ATOM 403 CA GLU A 28 -12.132 6.012 6.437 1.00 0.00 C ATOM 404 C GLU A 28 -10.683 6.351 6.077 1.00 0.00 C ATOM 405 O GLU A 28 -10.315 7.521 5.979 1.00 0.00 O ATOM 406 CB GLU A 28 -12.349 6.161 7.935 1.00 0.00 C ATOM 407 CG GLU A 28 -11.880 4.960 8.733 1.00 0.00 C ATOM 408 CD GLU A 28 -11.853 5.222 10.222 1.00 0.00 C ATOM 409 OE1 GLU A 28 -10.848 5.777 10.709 1.00 0.00 O ATOM 410 OE2 GLU A 28 -12.834 4.874 10.913 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.389 3.953 6.730 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.776 6.713 5.906 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.822 7.049 8.285 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.410 6.324 8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.537 4.115 8.529 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.882 4.675 8.400 1.00 0.00 H new ATOM 417 N ALA A 29 -9.868 5.324 5.871 1.00 0.00 N ATOM 418 CA ALA A 29 -8.452 5.507 5.597 1.00 0.00 C ATOM 419 C ALA A 29 -8.205 5.981 4.169 1.00 0.00 C ATOM 420 O ALA A 29 -7.547 6.996 3.947 1.00 0.00 O ATOM 421 CB ALA A 29 -7.691 4.217 5.856 1.00 0.00 C ATOM 0 H ALA A 29 -10.168 4.349 5.889 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.088 6.282 6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.632 4.371 5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.816 3.924 6.899 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.079 3.430 5.209 1.00 0.00 H new ATOM 427 N LEU A 30 -8.745 5.239 3.203 1.00 0.00 N ATOM 428 CA LEU A 30 -8.556 5.535 1.775 1.00 0.00 C ATOM 429 C LEU A 30 -9.122 6.906 1.385 1.00 0.00 C ATOM 430 O LEU A 30 -8.966 7.358 0.254 1.00 0.00 O ATOM 431 CB LEU A 30 -9.240 4.480 0.923 1.00 0.00 C ATOM 432 CG LEU A 30 -9.002 3.034 1.332 1.00 0.00 C ATOM 433 CD1 LEU A 30 -9.669 2.120 0.336 1.00 0.00 C ATOM 434 CD2 LEU A 30 -7.523 2.710 1.438 1.00 0.00 C ATOM 0 H LEU A 30 -9.324 4.419 3.382 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.480 5.537 1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.313 4.669 0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.909 4.604 -0.108 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.434 2.884 2.321 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.501 1.083 0.625 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -10.740 2.323 0.317 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.249 2.293 -0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.399 1.668 1.732 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.045 2.874 0.472 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.062 3.355 2.186 1.00 0.00 H new ATOM 446 N GLN A 31 -9.781 7.545 2.336 1.00 0.00 N ATOM 447 CA GLN A 31 -10.478 8.816 2.117 1.00 0.00 C ATOM 448 C GLN A 31 -9.522 9.989 1.993 1.00 0.00 C ATOM 449 O GLN A 31 -9.943 11.142 2.041 1.00 0.00 O ATOM 450 CB GLN A 31 -11.428 9.087 3.269 1.00 0.00 C ATOM 451 CG GLN A 31 -12.448 8.003 3.453 1.00 0.00 C ATOM 452 CD GLN A 31 -13.680 8.192 2.614 1.00 0.00 C ATOM 453 OE1 GLN A 31 -14.187 7.100 2.095 1.00 0.00 O flip ATOM 454 NE2 GLN A 31 -14.136 9.312 2.384 1.00 0.00 N flip ATOM 0 H GLN A 31 -9.852 7.199 3.293 1.00 0.00 H new ATOM 0 HA GLN A 31 -11.022 8.720 1.178 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.853 9.198 4.189 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.939 10.034 3.096 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.995 7.043 3.208 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.736 7.960 4.503 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.709 10.134 2.810 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.941 9.418 1.767 1.00 0.00 H new ATOM 463 N SER A 32 -8.243 9.699 1.882 1.00 0.00 N ATOM 464 CA SER A 32 -7.252 10.736 1.639 1.00 0.00 C ATOM 465 C SER A 32 -7.006 10.884 0.133 1.00 0.00 C ATOM 466 O SER A 32 -6.204 10.154 -0.453 1.00 0.00 O ATOM 467 CB SER A 32 -5.958 10.402 2.376 1.00 0.00 C ATOM 468 OG SER A 32 -6.190 10.221 3.766 1.00 0.00 O ATOM 0 H SER A 32 -7.861 8.756 1.955 1.00 0.00 H new ATOM 0 HA SER A 32 -7.625 11.688 2.018 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.521 9.496 1.957 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.234 11.203 2.227 1.00 0.00 H new ATOM 0 HG SER A 32 -5.345 10.006 4.213 1.00 0.00 H new ATOM 474 N PRO A 33 -7.705 11.840 -0.509 1.00 0.00 N ATOM 475 CA PRO A 33 -7.683 12.005 -1.963 1.00 0.00 C ATOM 476 C PRO A 33 -6.460 12.754 -2.470 1.00 0.00 C ATOM 477 O PRO A 33 -6.257 12.880 -3.680 1.00 0.00 O ATOM 478 CB PRO A 33 -8.929 12.827 -2.243 1.00 0.00 C ATOM 479 CG PRO A 33 -9.213 13.583 -0.989 1.00 0.00 C ATOM 480 CD PRO A 33 -8.557 12.847 0.146 1.00 0.00 C ATOM 0 HA PRO A 33 -7.650 11.037 -2.463 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.768 13.506 -3.080 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.768 12.185 -2.510 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -8.827 14.600 -1.060 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -10.288 13.661 -0.824 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.968 13.521 0.768 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.297 12.379 0.795 1.00 0.00 H new ATOM 488 N GLY A 34 -5.687 13.288 -1.539 1.00 0.00 N ATOM 489 CA GLY A 34 -4.468 14.004 -1.876 1.00 0.00 C ATOM 490 C GLY A 34 -3.402 13.105 -2.475 1.00 0.00 C ATOM 491 O GLY A 34 -3.650 12.425 -3.469 1.00 0.00 O ATOM 0 H GLY A 34 -5.883 13.239 -0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.704 14.800 -2.582 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -4.072 14.480 -0.979 1.00 0.00 H new ATOM 495 N PRO A 35 -2.197 13.063 -1.895 1.00 0.00 N ATOM 496 CA PRO A 35 -1.119 12.276 -2.457 1.00 0.00 C ATOM 497 C PRO A 35 -1.245 10.794 -2.131 1.00 0.00 C ATOM 498 O PRO A 35 -1.822 10.406 -1.115 1.00 0.00 O ATOM 499 CB PRO A 35 0.131 12.874 -1.841 1.00 0.00 C ATOM 500 CG PRO A 35 -0.299 13.541 -0.582 1.00 0.00 C ATOM 501 CD PRO A 35 -1.791 13.758 -0.662 1.00 0.00 C ATOM 0 HA PRO A 35 -1.116 12.314 -3.546 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.872 12.101 -1.637 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.595 13.589 -2.520 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.048 12.925 0.282 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.219 14.492 -0.457 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.299 13.348 0.211 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -2.036 14.819 -0.705 1.00 0.00 H new ATOM 509 N PHE A 36 -0.664 9.979 -2.992 1.00 0.00 N ATOM 510 CA PHE A 36 -0.897 8.546 -2.981 1.00 0.00 C ATOM 511 C PHE A 36 0.415 7.798 -3.216 1.00 0.00 C ATOM 512 O PHE A 36 1.104 8.013 -4.208 1.00 0.00 O ATOM 513 CB PHE A 36 -2.008 8.275 -4.031 1.00 0.00 C ATOM 514 CG PHE A 36 -1.886 7.094 -4.972 1.00 0.00 C ATOM 515 CD1 PHE A 36 -0.889 7.028 -5.934 1.00 0.00 C ATOM 516 CD2 PHE A 36 -2.826 6.074 -4.928 1.00 0.00 C ATOM 517 CE1 PHE A 36 -0.823 5.967 -6.817 1.00 0.00 C ATOM 518 CE2 PHE A 36 -2.769 5.017 -5.814 1.00 0.00 C ATOM 519 CZ PHE A 36 -1.766 4.961 -6.758 1.00 0.00 C ATOM 0 H PHE A 36 -0.018 10.291 -3.718 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.246 8.174 -2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.947 8.162 -3.489 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.100 9.171 -4.645 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.154 7.817 -5.994 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.614 6.108 -4.190 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.034 5.925 -7.553 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.511 4.233 -5.768 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.718 4.133 -7.449 1.00 0.00 H new ATOM 529 N THR A 37 0.769 6.954 -2.264 1.00 0.00 N ATOM 530 CA THR A 37 2.049 6.269 -2.271 1.00 0.00 C ATOM 531 C THR A 37 1.866 4.753 -2.311 1.00 0.00 C ATOM 532 O THR A 37 1.204 4.176 -1.456 1.00 0.00 O ATOM 533 CB THR A 37 2.876 6.671 -1.031 1.00 0.00 C ATOM 534 OG1 THR A 37 3.219 8.061 -1.115 1.00 0.00 O ATOM 535 CG2 THR A 37 4.142 5.844 -0.924 1.00 0.00 C ATOM 0 H THR A 37 0.178 6.724 -1.465 1.00 0.00 H new ATOM 0 HA THR A 37 2.585 6.569 -3.171 1.00 0.00 H new ATOM 0 HB THR A 37 2.271 6.488 -0.143 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.684 8.570 -0.470 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.703 6.150 -0.041 1.00 0.00 H new ATOM 0 HG22 THR A 37 3.881 4.789 -0.840 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.753 5.997 -1.813 1.00 0.00 H new ATOM 543 N VAL A 38 2.463 4.110 -3.300 1.00 0.00 N ATOM 544 CA VAL A 38 2.248 2.683 -3.513 1.00 0.00 C ATOM 545 C VAL A 38 3.553 1.897 -3.466 1.00 0.00 C ATOM 546 O VAL A 38 4.593 2.356 -3.942 1.00 0.00 O ATOM 547 CB VAL A 38 1.546 2.419 -4.865 1.00 0.00 C ATOM 548 CG1 VAL A 38 1.398 0.927 -5.136 1.00 0.00 C ATOM 549 CG2 VAL A 38 0.189 3.091 -4.897 1.00 0.00 C ATOM 0 H VAL A 38 3.098 4.548 -3.967 1.00 0.00 H new ATOM 0 HA VAL A 38 1.607 2.343 -2.700 1.00 0.00 H new ATOM 0 HB VAL A 38 2.172 2.843 -5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.901 0.779 -6.094 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.384 0.463 -5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.804 0.471 -4.344 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.291 2.895 -5.856 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.432 2.696 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.312 4.166 -4.766 1.00 0.00 H new ATOM 559 N PHE A 39 3.490 0.718 -2.865 1.00 0.00 N ATOM 560 CA PHE A 39 4.579 -0.241 -2.938 1.00 0.00 C ATOM 561 C PHE A 39 4.230 -1.274 -4.002 1.00 0.00 C ATOM 562 O PHE A 39 3.254 -2.012 -3.859 1.00 0.00 O ATOM 563 CB PHE A 39 4.801 -0.926 -1.584 1.00 0.00 C ATOM 564 CG PHE A 39 5.066 0.028 -0.454 1.00 0.00 C ATOM 565 CD1 PHE A 39 6.355 0.459 -0.182 1.00 0.00 C ATOM 566 CD2 PHE A 39 4.029 0.493 0.338 1.00 0.00 C ATOM 567 CE1 PHE A 39 6.603 1.335 0.858 1.00 0.00 C ATOM 568 CE2 PHE A 39 4.270 1.368 1.380 1.00 0.00 C ATOM 569 CZ PHE A 39 5.560 1.790 1.639 1.00 0.00 C ATOM 0 H PHE A 39 2.689 0.402 -2.318 1.00 0.00 H new ATOM 0 HA PHE A 39 5.504 0.274 -3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 39 3.923 -1.524 -1.343 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.642 -1.614 -1.670 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.175 0.106 -0.790 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.019 0.167 0.138 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.612 1.663 1.059 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.452 1.721 1.990 1.00 0.00 H new ATOM 0 HZ PHE A 39 5.752 2.475 2.452 1.00 0.00 H new ATOM 579 N ALA A 40 5.007 -1.315 -5.067 1.00 0.00 N ATOM 580 CA ALA A 40 4.687 -2.161 -6.206 1.00 0.00 C ATOM 581 C ALA A 40 5.594 -3.381 -6.256 1.00 0.00 C ATOM 582 O ALA A 40 6.809 -3.248 -6.377 1.00 0.00 O ATOM 583 CB ALA A 40 4.805 -1.368 -7.498 1.00 0.00 C ATOM 0 H ALA A 40 5.865 -0.773 -5.170 1.00 0.00 H new ATOM 0 HA ALA A 40 3.660 -2.507 -6.092 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.563 -2.012 -8.344 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.113 -0.527 -7.473 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.824 -0.996 -7.605 1.00 0.00 H new ATOM 589 N PRO A 41 5.023 -4.586 -6.149 1.00 0.00 N ATOM 590 CA PRO A 41 5.798 -5.819 -6.235 1.00 0.00 C ATOM 591 C PRO A 41 6.284 -6.078 -7.657 1.00 0.00 C ATOM 592 O PRO A 41 5.495 -6.108 -8.603 1.00 0.00 O ATOM 593 CB PRO A 41 4.811 -6.900 -5.793 1.00 0.00 C ATOM 594 CG PRO A 41 3.464 -6.336 -6.093 1.00 0.00 C ATOM 595 CD PRO A 41 3.586 -4.843 -5.938 1.00 0.00 C ATOM 0 HA PRO A 41 6.698 -5.786 -5.622 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.978 -7.832 -6.333 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.918 -7.123 -4.731 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.149 -6.597 -7.103 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.714 -6.738 -5.412 1.00 0.00 H new ATOM 0 HD2 PRO A 41 2.973 -4.313 -6.667 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.261 -4.515 -4.951 1.00 0.00 H new ATOM 603 N ASN A 42 7.589 -6.254 -7.800 1.00 0.00 N ATOM 604 CA ASN A 42 8.199 -6.488 -9.100 1.00 0.00 C ATOM 605 C ASN A 42 7.997 -7.946 -9.520 1.00 0.00 C ATOM 606 O ASN A 42 7.472 -8.744 -8.745 1.00 0.00 O ATOM 607 CB ASN A 42 9.695 -6.080 -9.054 1.00 0.00 C ATOM 608 CG ASN A 42 10.692 -7.219 -9.182 1.00 0.00 C ATOM 609 OD1 ASN A 42 10.968 -7.711 -10.273 1.00 0.00 O ATOM 610 ND2 ASN A 42 11.299 -7.585 -8.076 1.00 0.00 N ATOM 0 H ASN A 42 8.251 -6.239 -7.024 1.00 0.00 H new ATOM 0 HA ASN A 42 7.717 -5.871 -9.858 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.883 -5.365 -9.855 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.883 -5.561 -8.114 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.026 -8.300 -8.106 1.00 0.00 H new ATOM 0 HD22 ASN A 42 11.043 -7.154 -7.187 1.00 0.00 H new ATOM 617 N ASP A 43 8.379 -8.276 -10.745 1.00 0.00 N ATOM 618 CA ASP A 43 8.251 -9.635 -11.287 1.00 0.00 C ATOM 619 C ASP A 43 8.692 -10.688 -10.289 1.00 0.00 C ATOM 620 O ASP A 43 8.009 -11.688 -10.061 1.00 0.00 O ATOM 621 CB ASP A 43 9.138 -9.775 -12.509 1.00 0.00 C ATOM 622 CG ASP A 43 8.579 -10.753 -13.523 1.00 0.00 C ATOM 623 OD1 ASP A 43 8.834 -11.970 -13.384 1.00 0.00 O ATOM 624 OD2 ASP A 43 7.877 -10.315 -14.458 1.00 0.00 O1- ATOM 0 H ASP A 43 8.789 -7.610 -11.400 1.00 0.00 H new ATOM 0 HA ASP A 43 7.199 -9.786 -11.529 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.260 -8.799 -12.979 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.129 -10.105 -12.199 1.00 0.00 H new ATOM 629 N ASP A 44 9.833 -10.429 -9.679 1.00 0.00 N ATOM 630 CA ASP A 44 10.478 -11.404 -8.797 1.00 0.00 C ATOM 631 C ASP A 44 9.707 -11.507 -7.495 1.00 0.00 C ATOM 632 O ASP A 44 9.773 -12.503 -6.778 1.00 0.00 O ATOM 633 CB ASP A 44 11.925 -11.012 -8.519 1.00 0.00 C ATOM 634 CG ASP A 44 12.714 -12.126 -7.861 1.00 0.00 C ATOM 635 OD1 ASP A 44 13.225 -13.004 -8.585 1.00 0.00 O ATOM 636 OD2 ASP A 44 12.824 -12.135 -6.616 1.00 0.00 O1- ATOM 0 H ASP A 44 10.340 -9.549 -9.774 1.00 0.00 H new ATOM 0 HA ASP A 44 10.478 -12.374 -9.294 1.00 0.00 H new ATOM 0 HB2 ASP A 44 12.408 -10.733 -9.455 1.00 0.00 H new ATOM 0 HB3 ASP A 44 11.942 -10.131 -7.877 1.00 0.00 H new ATOM 641 N ALA A 45 8.939 -10.473 -7.226 1.00 0.00 N ATOM 642 CA ALA A 45 8.106 -10.410 -6.051 1.00 0.00 C ATOM 643 C ALA A 45 6.853 -11.236 -6.279 1.00 0.00 C ATOM 644 O ALA A 45 6.378 -11.934 -5.389 1.00 0.00 O ATOM 645 CB ALA A 45 7.764 -8.970 -5.771 1.00 0.00 C ATOM 0 H ALA A 45 8.877 -9.648 -7.823 1.00 0.00 H new ATOM 0 HA ALA A 45 8.632 -10.818 -5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.134 -8.912 -4.884 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.681 -8.404 -5.603 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.230 -8.550 -6.624 1.00 0.00 H new ATOM 769 N ILE A 54 -0.055 -11.601 1.545 1.00 0.00 N ATOM 770 CA ILE A 54 -1.238 -10.796 1.758 1.00 0.00 C ATOM 771 C ILE A 54 -2.341 -11.623 2.414 1.00 0.00 C ATOM 772 O ILE A 54 -3.190 -11.093 3.128 1.00 0.00 O ATOM 773 CB ILE A 54 -1.706 -10.148 0.434 1.00 0.00 C ATOM 774 CG1 ILE A 54 -1.029 -8.779 0.270 1.00 0.00 C ATOM 775 CG2 ILE A 54 -3.222 -10.015 0.369 1.00 0.00 C ATOM 776 CD1 ILE A 54 0.474 -8.834 0.119 1.00 0.00 C ATOM 0 HA ILE A 54 -0.990 -9.985 2.443 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.413 -10.800 -0.389 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.451 -8.282 -0.604 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.272 -8.162 1.135 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.507 -9.555 -0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.677 -11.002 0.444 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.568 -9.392 1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.866 -7.823 0.009 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.912 -9.299 1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.730 -9.420 -0.764 1.00 0.00 H new ATOM 788 N THR A 55 -2.293 -12.929 2.207 1.00 0.00 N ATOM 789 CA THR A 55 -3.217 -13.832 2.866 1.00 0.00 C ATOM 790 C THR A 55 -2.967 -13.859 4.367 1.00 0.00 C ATOM 791 O THR A 55 -3.889 -13.970 5.151 1.00 0.00 O ATOM 792 CB THR A 55 -3.113 -15.258 2.324 1.00 0.00 C ATOM 793 OG1 THR A 55 -3.355 -15.266 0.912 1.00 0.00 O ATOM 794 CG2 THR A 55 -4.107 -16.168 3.033 1.00 0.00 C ATOM 0 H THR A 55 -1.623 -13.386 1.588 1.00 0.00 H new ATOM 0 HA THR A 55 -4.219 -13.454 2.662 1.00 0.00 H new ATOM 0 HB THR A 55 -2.106 -15.631 2.511 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.285 -16.183 0.573 1.00 0.00 H new ATOM 0 HG21 THR A 55 -4.021 -17.180 2.636 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.893 -16.178 4.102 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.119 -15.799 2.869 1.00 0.00 H new ATOM 802 N SER A 56 -1.716 -13.755 4.765 1.00 0.00 N ATOM 803 CA SER A 56 -1.373 -13.718 6.172 1.00 0.00 C ATOM 804 C SER A 56 -1.626 -12.321 6.713 1.00 0.00 C ATOM 805 O SER A 56 -1.930 -12.125 7.889 1.00 0.00 O ATOM 806 CB SER A 56 0.091 -14.124 6.367 1.00 0.00 C ATOM 807 OG SER A 56 0.468 -14.085 7.733 1.00 0.00 O ATOM 0 H SER A 56 -0.918 -13.694 4.133 1.00 0.00 H new ATOM 0 HA SER A 56 -1.995 -14.426 6.721 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.245 -15.129 5.975 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.733 -13.456 5.793 1.00 0.00 H new ATOM 0 HG SER A 56 1.407 -14.351 7.821 1.00 0.00 H new ATOM 813 N LEU A 57 -1.533 -11.364 5.818 1.00 0.00 N ATOM 814 CA LEU A 57 -1.754 -9.966 6.142 1.00 0.00 C ATOM 815 C LEU A 57 -3.238 -9.658 6.295 1.00 0.00 C ATOM 816 O LEU A 57 -3.611 -8.721 6.995 1.00 0.00 O ATOM 817 CB LEU A 57 -1.133 -9.084 5.079 1.00 0.00 C ATOM 818 CG LEU A 57 0.311 -8.650 5.347 1.00 0.00 C ATOM 819 CD1 LEU A 57 1.219 -9.841 5.614 1.00 0.00 C ATOM 820 CD2 LEU A 57 0.837 -7.841 4.178 1.00 0.00 C ATOM 0 H LEU A 57 -1.301 -11.530 4.839 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.276 -9.759 7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.164 -9.614 4.127 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.748 -8.191 4.967 1.00 0.00 H new ATOM 0 HG LEU A 57 0.310 -8.030 6.244 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.234 -9.490 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.858 -10.385 6.487 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.216 -10.502 4.747 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.864 -7.537 4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.808 -8.448 3.273 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.217 -6.955 4.040 1.00 0.00 H new ATOM 832 N VAL A 58 -4.090 -10.445 5.640 1.00 0.00 N ATOM 833 CA VAL A 58 -5.530 -10.300 5.819 1.00 0.00 C ATOM 834 C VAL A 58 -5.936 -10.888 7.161 1.00 0.00 C ATOM 835 O VAL A 58 -6.918 -10.468 7.771 1.00 0.00 O ATOM 836 CB VAL A 58 -6.349 -10.981 4.697 1.00 0.00 C ATOM 837 CG1 VAL A 58 -6.266 -12.492 4.809 1.00 0.00 C ATOM 838 CG2 VAL A 58 -7.800 -10.526 4.734 1.00 0.00 C ATOM 0 H VAL A 58 -3.812 -11.180 4.989 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.750 -9.233 5.779 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.919 -10.683 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.850 -12.949 4.010 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.226 -12.807 4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.663 -12.808 5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.356 -11.018 3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.239 -10.788 5.697 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.846 -9.446 4.596 1.00 0.00 H new ATOM 848 N GLN A 59 -5.162 -11.867 7.615 1.00 0.00 N ATOM 849 CA GLN A 59 -5.381 -12.470 8.909 1.00 0.00 C ATOM 850 C GLN A 59 -4.933 -11.496 9.984 1.00 0.00 C ATOM 851 O GLN A 59 -5.409 -11.495 11.119 1.00 0.00 O ATOM 852 CB GLN A 59 -4.568 -13.749 8.998 1.00 0.00 C ATOM 853 CG GLN A 59 -4.689 -14.596 7.751 1.00 0.00 C ATOM 854 CD GLN A 59 -5.862 -15.546 7.769 1.00 0.00 C ATOM 855 OE1 GLN A 59 -6.327 -15.968 8.826 1.00 0.00 O ATOM 856 NE2 GLN A 59 -6.330 -15.903 6.587 1.00 0.00 N ATOM 0 H GLN A 59 -4.375 -12.257 7.097 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.437 -12.703 9.048 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.520 -13.500 9.164 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.899 -14.327 9.861 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.778 -13.940 6.885 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.771 -15.170 7.623 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.911 -15.526 5.737 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -7.111 -16.556 6.524 1.00 0.00 H new ATOM 865 N ASN A 60 -3.995 -10.675 9.573 1.00 0.00 N ATOM 866 CA ASN A 60 -3.398 -9.644 10.373 1.00 0.00 C ATOM 867 C ASN A 60 -4.245 -8.368 10.347 1.00 0.00 C ATOM 868 O ASN A 60 -5.212 -8.290 9.590 1.00 0.00 O ATOM 869 CB ASN A 60 -1.994 -9.381 9.848 1.00 0.00 C ATOM 870 CG ASN A 60 -0.928 -10.128 10.622 1.00 0.00 C ATOM 871 OD1 ASN A 60 -0.411 -9.641 11.628 1.00 0.00 O ATOM 872 ND2 ASN A 60 -0.585 -11.315 10.157 1.00 0.00 N ATOM 0 H ASN A 60 -3.614 -10.714 8.628 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.346 -9.969 11.412 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.944 -9.670 8.798 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.788 -8.312 9.895 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.131 -11.862 10.634 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.036 -11.685 9.320 1.00 0.00 H new ATOM 879 N PRO A 61 -3.942 -7.399 11.236 1.00 0.00 N ATOM 880 CA PRO A 61 -4.616 -6.082 11.305 1.00 0.00 C ATOM 881 C PRO A 61 -4.979 -5.452 9.932 1.00 0.00 C ATOM 882 O PRO A 61 -4.504 -5.902 8.895 1.00 0.00 O ATOM 883 CB PRO A 61 -3.561 -5.242 12.026 1.00 0.00 C ATOM 884 CG PRO A 61 -2.929 -6.187 12.981 1.00 0.00 C ATOM 885 CD PRO A 61 -2.914 -7.524 12.295 1.00 0.00 C ATOM 0 HA PRO A 61 -5.588 -6.152 11.794 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.830 -4.835 11.327 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.012 -4.396 12.544 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -1.918 -5.867 13.234 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.492 -6.234 13.913 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.933 -7.745 11.874 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.152 -8.330 12.989 1.00 0.00 H new ATOM 893 N PRO A 62 -5.810 -4.367 9.966 1.00 0.00 N ATOM 894 CA PRO A 62 -6.540 -3.731 8.820 1.00 0.00 C ATOM 895 C PRO A 62 -5.908 -3.693 7.410 1.00 0.00 C ATOM 896 O PRO A 62 -6.606 -3.330 6.461 1.00 0.00 O ATOM 897 CB PRO A 62 -6.685 -2.304 9.307 1.00 0.00 C ATOM 898 CG PRO A 62 -6.913 -2.432 10.765 1.00 0.00 C ATOM 899 CD PRO A 62 -6.127 -3.633 11.214 1.00 0.00 C ATOM 0 HA PRO A 62 -7.428 -4.333 8.628 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.790 -1.719 9.095 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.518 -1.800 8.817 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.585 -1.535 11.290 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.974 -2.558 10.983 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.219 -3.337 11.740 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.706 -4.251 11.900 1.00 0.00 H new ATOM 907 N GLN A 63 -4.636 -4.040 7.266 1.00 0.00 N ATOM 908 CA GLN A 63 -3.890 -3.857 6.011 1.00 0.00 C ATOM 909 C GLN A 63 -4.648 -4.259 4.746 1.00 0.00 C ATOM 910 O GLN A 63 -4.393 -3.705 3.671 1.00 0.00 O ATOM 911 CB GLN A 63 -2.576 -4.598 6.036 1.00 0.00 C ATOM 912 CG GLN A 63 -1.611 -3.853 5.171 1.00 0.00 C ATOM 913 CD GLN A 63 -0.511 -4.669 4.600 1.00 0.00 C ATOM 914 OE1 GLN A 63 -0.752 -5.141 3.404 1.00 0.00 O flip ATOM 915 NE2 GLN A 63 0.546 -4.841 5.195 1.00 0.00 N flip ATOM 0 H GLN A 63 -4.083 -4.458 8.014 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.728 -2.780 5.960 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.198 -4.669 7.056 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.706 -5.617 5.672 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.163 -3.393 4.352 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.175 -3.043 5.756 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.676 -4.448 6.127 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.296 -5.377 4.758 1.00 0.00 H new ATOM 924 N LEU A 64 -5.554 -5.210 4.874 1.00 0.00 N ATOM 925 CA LEU A 64 -6.370 -5.685 3.771 1.00 0.00 C ATOM 926 C LEU A 64 -6.931 -4.542 2.932 1.00 0.00 C ATOM 927 O LEU A 64 -6.776 -4.536 1.711 1.00 0.00 O ATOM 928 CB LEU A 64 -7.520 -6.521 4.312 1.00 0.00 C ATOM 929 CG LEU A 64 -8.611 -6.798 3.293 1.00 0.00 C ATOM 930 CD1 LEU A 64 -8.156 -7.844 2.283 1.00 0.00 C ATOM 931 CD2 LEU A 64 -9.912 -7.208 3.964 1.00 0.00 C ATOM 0 H LEU A 64 -5.747 -5.681 5.758 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.729 -6.286 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.127 -7.470 4.676 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.958 -6.008 5.168 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.804 -5.870 2.754 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.954 -8.026 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.270 -7.483 1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.918 -8.772 2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.669 -7.398 3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.750 -8.113 4.549 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.251 -6.407 4.621 1.00 0.00 H new ATOM 943 N GLY A 65 -7.557 -3.577 3.599 1.00 0.00 N ATOM 944 CA GLY A 65 -8.221 -2.471 2.914 1.00 0.00 C ATOM 945 C GLY A 65 -7.333 -1.770 1.906 1.00 0.00 C ATOM 946 O GLY A 65 -7.794 -1.320 0.857 1.00 0.00 O ATOM 0 H GLY A 65 -7.619 -3.538 4.616 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.108 -2.848 2.406 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.561 -1.746 3.654 1.00 0.00 H new ATOM 950 N ARG A 66 -6.058 -1.693 2.231 1.00 0.00 N ATOM 951 CA ARG A 66 -5.077 -1.053 1.387 1.00 0.00 C ATOM 952 C ARG A 66 -4.758 -1.939 0.197 1.00 0.00 C ATOM 953 O ARG A 66 -4.637 -1.474 -0.934 1.00 0.00 O ATOM 954 CB ARG A 66 -3.842 -0.777 2.231 1.00 0.00 C ATOM 955 CG ARG A 66 -2.525 -1.062 1.551 1.00 0.00 C ATOM 956 CD ARG A 66 -1.586 -1.687 2.548 1.00 0.00 C ATOM 957 NE ARG A 66 -0.215 -1.187 2.419 1.00 0.00 N ATOM 958 CZ ARG A 66 0.631 -1.059 3.445 1.00 0.00 C ATOM 959 NH1 ARG A 66 0.232 -1.339 4.681 1.00 0.00 N1+ ATOM 960 NH2 ARG A 66 1.869 -0.621 3.236 1.00 0.00 N ATOM 0 H ARG A 66 -5.674 -2.076 3.095 1.00 0.00 H new ATOM 0 HA ARG A 66 -5.458 -0.112 0.992 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -3.856 0.269 2.537 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.901 -1.376 3.140 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.675 -1.731 0.704 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.097 -0.140 1.157 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.948 -1.489 3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.588 -2.769 2.416 1.00 0.00 H new ATOM 0 HE ARG A 66 0.113 -0.921 1.491 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.724 -1.653 4.850 1.00 0.00 H new ATOM 0 HH12 ARG A 66 0.881 -1.240 5.461 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.173 -0.383 2.292 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.515 -0.523 4.020 1.00 0.00 H new ATOM 974 N ILE A 67 -4.669 -3.225 0.477 1.00 0.00 N ATOM 975 CA ILE A 67 -4.259 -4.225 -0.487 1.00 0.00 C ATOM 976 C ILE A 67 -5.209 -4.328 -1.671 1.00 0.00 C ATOM 977 O ILE A 67 -4.764 -4.344 -2.817 1.00 0.00 O ATOM 978 CB ILE A 67 -4.180 -5.586 0.206 1.00 0.00 C ATOM 979 CG1 ILE A 67 -3.327 -5.448 1.464 1.00 0.00 C ATOM 980 CG2 ILE A 67 -3.626 -6.630 -0.744 1.00 0.00 C ATOM 981 CD1 ILE A 67 -3.244 -6.699 2.309 1.00 0.00 C ATOM 0 H ILE A 67 -4.884 -3.610 1.397 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.286 -3.921 -0.874 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.176 -5.919 0.497 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.318 -5.155 1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.731 -4.640 2.074 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.576 -7.593 -0.237 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.277 -6.712 -1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -2.627 -6.336 -1.065 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.618 -6.508 3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.244 -6.984 2.636 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.810 -7.507 1.721 1.00 0.00 H new ATOM 993 N LEU A 68 -6.505 -4.394 -1.376 1.00 0.00 N ATOM 994 CA LEU A 68 -7.530 -4.638 -2.395 1.00 0.00 C ATOM 995 C LEU A 68 -7.331 -3.793 -3.648 1.00 0.00 C ATOM 996 O LEU A 68 -7.115 -4.326 -4.734 1.00 0.00 O ATOM 997 CB LEU A 68 -8.938 -4.359 -1.853 1.00 0.00 C ATOM 998 CG LEU A 68 -9.538 -5.408 -0.918 1.00 0.00 C ATOM 999 CD1 LEU A 68 -8.859 -6.752 -1.100 1.00 0.00 C ATOM 1000 CD2 LEU A 68 -9.465 -4.942 0.527 1.00 0.00 C ATOM 0 H LEU A 68 -6.875 -4.281 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.428 -5.691 -2.659 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.916 -3.406 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -9.611 -4.237 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.589 -5.535 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.305 -7.480 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.987 -7.088 -2.129 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.796 -6.655 -0.879 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.897 -5.703 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.424 -4.777 0.804 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -10.022 -4.011 0.638 1.00 0.00 H new ATOM 1012 N LYS A 69 -7.400 -2.481 -3.499 1.00 0.00 N ATOM 1013 CA LYS A 69 -7.431 -1.608 -4.660 1.00 0.00 C ATOM 1014 C LYS A 69 -6.046 -1.188 -5.149 1.00 0.00 C ATOM 1015 O LYS A 69 -5.663 -1.518 -6.271 1.00 0.00 O ATOM 1016 CB LYS A 69 -8.297 -0.386 -4.358 1.00 0.00 C ATOM 1017 CG LYS A 69 -9.781 -0.702 -4.402 1.00 0.00 C ATOM 1018 CD LYS A 69 -10.630 0.406 -3.808 1.00 0.00 C ATOM 1019 CE LYS A 69 -12.106 0.202 -4.131 1.00 0.00 C ATOM 1020 NZ LYS A 69 -12.538 -1.214 -3.942 1.00 0.00 N1+ ATOM 0 H LYS A 69 -7.435 -2.002 -2.599 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.868 -2.181 -5.478 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.040 0.003 -3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.074 0.401 -5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -10.082 -0.871 -5.436 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -9.968 -1.629 -3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.492 0.434 -2.727 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.300 1.369 -4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -12.708 0.851 -3.495 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -12.295 0.502 -5.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -13.576 -1.258 -3.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.194 -1.791 -4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.145 -1.581 -3.052 1.00 0.00 H new ATOM 1034 N TYR A 70 -5.278 -0.486 -4.325 1.00 0.00 N ATOM 1035 CA TYR A 70 -4.043 0.116 -4.827 1.00 0.00 C ATOM 1036 C TYR A 70 -2.787 -0.334 -4.081 1.00 0.00 C ATOM 1037 O TYR A 70 -1.676 -0.087 -4.545 1.00 0.00 O ATOM 1038 CB TYR A 70 -4.147 1.641 -4.784 1.00 0.00 C ATOM 1039 CG TYR A 70 -5.351 2.189 -5.516 1.00 0.00 C ATOM 1040 CD1 TYR A 70 -5.384 2.242 -6.904 1.00 0.00 C ATOM 1041 CD2 TYR A 70 -6.462 2.645 -4.816 1.00 0.00 C ATOM 1042 CE1 TYR A 70 -6.490 2.734 -7.572 1.00 0.00 C ATOM 1043 CE2 TYR A 70 -7.570 3.136 -5.477 1.00 0.00 C ATOM 1044 CZ TYR A 70 -7.581 3.179 -6.854 1.00 0.00 C ATOM 1045 OH TYR A 70 -8.685 3.665 -7.514 1.00 0.00 O ATOM 0 H TYR A 70 -5.476 -0.321 -3.338 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.935 -0.232 -5.854 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.187 1.964 -3.744 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -3.243 2.070 -5.217 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.533 1.894 -7.470 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.458 2.615 -3.736 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -6.500 2.770 -8.651 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -8.425 3.485 -4.917 1.00 0.00 H new ATOM 0 HH TYR A 70 -9.443 3.710 -6.894 1.00 0.00 H new ATOM 1055 N HIS A 71 -2.965 -0.986 -2.929 1.00 0.00 N ATOM 1056 CA HIS A 71 -1.843 -1.337 -2.052 1.00 0.00 C ATOM 1057 C HIS A 71 -1.131 -0.051 -1.626 1.00 0.00 C ATOM 1058 O HIS A 71 0.091 -0.006 -1.469 1.00 0.00 O ATOM 1059 CB HIS A 71 -0.880 -2.306 -2.760 1.00 0.00 C ATOM 1060 CG HIS A 71 0.135 -2.946 -1.860 1.00 0.00 C ATOM 1061 ND1 HIS A 71 1.468 -3.053 -2.186 1.00 0.00 N ATOM 1062 CD2 HIS A 71 0.002 -3.534 -0.647 1.00 0.00 C ATOM 1063 CE1 HIS A 71 2.109 -3.678 -1.220 1.00 0.00 C ATOM 1064 NE2 HIS A 71 1.244 -3.982 -0.270 1.00 0.00 N ATOM 0 H HIS A 71 -3.877 -1.282 -2.581 1.00 0.00 H new ATOM 0 HA HIS A 71 -2.214 -1.849 -1.164 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.464 -3.090 -3.243 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.357 -1.766 -3.549 1.00 0.00 H new ATOM 0 HD1 HIS A 71 1.894 -2.702 -3.044 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -0.912 -3.632 -0.081 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.165 -3.904 -1.207 1.00 0.00 H new ATOM 1073 N VAL A 72 -1.940 0.976 -1.391 1.00 0.00 N ATOM 1074 CA VAL A 72 -1.464 2.342 -1.287 1.00 0.00 C ATOM 1075 C VAL A 72 -1.472 2.858 0.150 1.00 0.00 C ATOM 1076 O VAL A 72 -2.154 2.322 1.026 1.00 0.00 O ATOM 1077 CB VAL A 72 -2.348 3.272 -2.157 1.00 0.00 C ATOM 1078 CG1 VAL A 72 -3.775 3.306 -1.630 1.00 0.00 C ATOM 1079 CG2 VAL A 72 -1.777 4.680 -2.232 1.00 0.00 C ATOM 0 H VAL A 72 -2.948 0.879 -1.267 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.432 2.347 -1.639 1.00 0.00 H new ATOM 0 HB VAL A 72 -2.357 2.862 -3.167 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.378 3.964 -2.255 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.195 2.300 -1.652 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.776 3.678 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.424 5.302 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.718 5.102 -1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -0.780 4.645 -2.671 1.00 0.00 H new ATOM 1089 N VAL A 73 -0.679 3.887 0.360 1.00 0.00 N ATOM 1090 CA VAL A 73 -0.715 4.694 1.556 1.00 0.00 C ATOM 1091 C VAL A 73 -0.707 6.164 1.150 1.00 0.00 C ATOM 1092 O VAL A 73 0.142 6.601 0.376 1.00 0.00 O ATOM 1093 CB VAL A 73 0.470 4.401 2.506 1.00 0.00 C ATOM 1094 CG1 VAL A 73 1.792 4.338 1.757 1.00 0.00 C ATOM 1095 CG2 VAL A 73 0.542 5.463 3.580 1.00 0.00 C ATOM 0 H VAL A 73 0.024 4.191 -0.313 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.624 4.448 2.105 1.00 0.00 H new ATOM 0 HB VAL A 73 0.297 3.426 2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.599 4.130 2.460 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.749 3.546 1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.977 5.293 1.264 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.379 5.251 4.246 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.685 6.439 3.117 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.386 5.465 4.152 1.00 0.00 H new ATOM 1105 N ALA A 74 -1.684 6.906 1.630 1.00 0.00 N ATOM 1106 CA ALA A 74 -1.773 8.329 1.353 1.00 0.00 C ATOM 1107 C ALA A 74 -0.645 9.070 2.012 1.00 0.00 C ATOM 1108 O ALA A 74 -0.246 8.762 3.138 1.00 0.00 O ATOM 1109 CB ALA A 74 -3.085 8.870 1.854 1.00 0.00 C ATOM 0 H ALA A 74 -2.435 6.545 2.219 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.706 8.471 0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.143 9.938 1.642 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.906 8.356 1.354 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.158 8.709 2.930 1.00 0.00 H new ATOM 1115 N GLY A 75 -0.152 10.053 1.307 1.00 0.00 N ATOM 1116 CA GLY A 75 0.969 10.799 1.789 1.00 0.00 C ATOM 1117 C GLY A 75 2.151 10.610 0.884 1.00 0.00 C ATOM 1118 O GLY A 75 2.808 9.580 0.921 1.00 0.00 O ATOM 0 H GLY A 75 -0.511 10.352 0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.712 11.857 1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.221 10.477 2.799 1.00 0.00 H new ATOM 1122 N ALA A 76 2.376 11.579 0.030 1.00 0.00 N ATOM 1123 CA ALA A 76 3.473 11.539 -0.922 1.00 0.00 C ATOM 1124 C ALA A 76 4.824 11.475 -0.226 1.00 0.00 C ATOM 1125 O ALA A 76 5.333 12.479 0.275 1.00 0.00 O ATOM 1126 CB ALA A 76 3.414 12.748 -1.830 1.00 0.00 C ATOM 0 H ALA A 76 1.805 12.422 -0.029 1.00 0.00 H new ATOM 0 HA ALA A 76 3.364 10.631 -1.515 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.240 12.710 -2.540 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.469 12.750 -2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.491 13.656 -1.232 1.00 0.00 H new ATOM 1132 N TYR A 77 5.392 10.286 -0.201 1.00 0.00 N ATOM 1133 CA TYR A 77 6.727 10.085 0.360 1.00 0.00 C ATOM 1134 C TYR A 77 7.660 9.515 -0.699 1.00 0.00 C ATOM 1135 O TYR A 77 7.392 8.440 -1.247 1.00 0.00 O ATOM 1136 CB TYR A 77 6.725 9.103 1.541 1.00 0.00 C ATOM 1137 CG TYR A 77 5.496 9.104 2.428 1.00 0.00 C ATOM 1138 CD1 TYR A 77 5.148 10.209 3.193 1.00 0.00 C ATOM 1139 CD2 TYR A 77 4.705 7.963 2.524 1.00 0.00 C ATOM 1140 CE1 TYR A 77 4.042 10.178 4.026 1.00 0.00 C ATOM 1141 CE2 TYR A 77 3.598 7.925 3.347 1.00 0.00 C ATOM 1142 CZ TYR A 77 3.269 9.036 4.098 1.00 0.00 C ATOM 1143 OH TYR A 77 2.171 9.006 4.929 1.00 0.00 O ATOM 0 H TYR A 77 4.954 9.438 -0.562 1.00 0.00 H new ATOM 0 HA TYR A 77 7.063 11.062 0.706 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.858 8.096 1.146 1.00 0.00 H new ATOM 0 HB3 TYR A 77 7.593 9.318 2.163 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.748 11.105 3.138 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.963 7.090 1.943 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.785 11.044 4.617 1.00 0.00 H new ATOM 0 HE2 TYR A 77 2.993 7.032 3.403 1.00 0.00 H new ATOM 0 HH TYR A 77 1.356 8.928 4.391 1.00 0.00 H new ATOM 1153 N LYS A 78 8.765 10.199 -0.984 1.00 0.00 N ATOM 1154 CA LYS A 78 9.777 9.609 -1.831 1.00 0.00 C ATOM 1155 C LYS A 78 10.562 8.659 -0.973 1.00 0.00 C ATOM 1156 O LYS A 78 10.531 8.801 0.247 1.00 0.00 O ATOM 1157 CB LYS A 78 10.692 10.646 -2.482 1.00 0.00 C ATOM 1158 CG LYS A 78 9.975 11.500 -3.508 1.00 0.00 C ATOM 1159 CD LYS A 78 9.352 12.716 -2.872 1.00 0.00 C ATOM 1160 CE LYS A 78 7.901 12.834 -3.270 1.00 0.00 C ATOM 1161 NZ LYS A 78 7.290 14.109 -2.804 1.00 0.00 N1+ ATOM 0 H LYS A 78 8.973 11.139 -0.647 1.00 0.00 H new ATOM 0 HA LYS A 78 9.298 9.093 -2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.111 11.290 -1.709 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.528 10.136 -2.961 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.679 11.811 -4.280 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.203 10.909 -4.000 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.434 12.649 -1.787 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.893 13.611 -3.177 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.818 12.769 -4.355 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.343 11.994 -2.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.294 14.145 -3.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.345 14.161 -1.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.804 14.912 -3.219 1.00 0.00 H new ATOM 1175 N ALA A 79 11.253 7.705 -1.580 1.00 0.00 N ATOM 1176 CA ALA A 79 11.910 6.653 -0.820 1.00 0.00 C ATOM 1177 C ALA A 79 12.722 7.242 0.315 1.00 0.00 C ATOM 1178 O ALA A 79 12.704 6.725 1.422 1.00 0.00 O ATOM 1179 CB ALA A 79 12.798 5.807 -1.712 1.00 0.00 C ATOM 0 H ALA A 79 11.373 7.638 -2.591 1.00 0.00 H new ATOM 0 HA ALA A 79 11.134 6.011 -0.402 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.276 5.029 -1.117 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.195 5.346 -2.494 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.562 6.437 -2.167 1.00 0.00 H new ATOM 1185 N THR A 80 13.332 8.390 0.053 1.00 0.00 N ATOM 1186 CA THR A 80 14.276 8.994 0.998 1.00 0.00 C ATOM 1187 C THR A 80 13.552 9.569 2.214 1.00 0.00 C ATOM 1188 O THR A 80 14.135 9.682 3.291 1.00 0.00 O ATOM 1189 CB THR A 80 15.122 10.098 0.320 1.00 0.00 C ATOM 1190 OG1 THR A 80 16.005 10.712 1.269 1.00 0.00 O ATOM 1191 CG2 THR A 80 14.234 11.164 -0.311 1.00 0.00 C ATOM 0 H THR A 80 13.194 8.925 -0.804 1.00 0.00 H new ATOM 0 HA THR A 80 14.944 8.201 1.334 1.00 0.00 H new ATOM 0 HB THR A 80 15.710 9.624 -0.466 1.00 0.00 H new ATOM 0 HG1 THR A 80 16.533 11.406 0.823 1.00 0.00 H new ATOM 0 HG21 THR A 80 14.857 11.926 -0.779 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.594 10.705 -1.064 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.615 11.624 0.459 1.00 0.00 H new ATOM 1199 N ASP A 81 12.277 9.898 2.054 1.00 0.00 N ATOM 1200 CA ASP A 81 11.491 10.432 3.155 1.00 0.00 C ATOM 1201 C ASP A 81 11.203 9.311 4.135 1.00 0.00 C ATOM 1202 O ASP A 81 11.261 9.491 5.354 1.00 0.00 O ATOM 1203 CB ASP A 81 10.183 11.037 2.636 1.00 0.00 C ATOM 1204 CG ASP A 81 9.442 11.831 3.692 1.00 0.00 C ATOM 1205 OD1 ASP A 81 8.686 11.230 4.478 1.00 0.00 O ATOM 1206 OD2 ASP A 81 9.617 13.072 3.733 1.00 0.00 O1- ATOM 0 H ASP A 81 11.768 9.804 1.175 1.00 0.00 H new ATOM 0 HA ASP A 81 12.051 11.223 3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.400 11.685 1.787 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.538 10.238 2.271 1.00 0.00 H new ATOM 1211 N LEU A 82 10.910 8.145 3.581 1.00 0.00 N ATOM 1212 CA LEU A 82 10.699 6.947 4.360 1.00 0.00 C ATOM 1213 C LEU A 82 11.942 6.538 5.148 1.00 0.00 C ATOM 1214 O LEU A 82 11.846 6.253 6.327 1.00 0.00 O ATOM 1215 CB LEU A 82 10.249 5.820 3.438 1.00 0.00 C ATOM 1216 CG LEU A 82 8.892 6.044 2.772 1.00 0.00 C ATOM 1217 CD1 LEU A 82 8.037 7.005 3.583 1.00 0.00 C ATOM 1218 CD2 LEU A 82 9.061 6.523 1.346 1.00 0.00 C ATOM 0 H LEU A 82 10.813 8.008 2.575 1.00 0.00 H new ATOM 0 HA LEU A 82 9.922 7.155 5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.001 5.682 2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.209 4.894 4.011 1.00 0.00 H new ATOM 0 HG LEU A 82 8.370 5.088 2.740 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.077 7.146 3.086 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.873 6.594 4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.547 7.965 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.081 6.675 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.612 7.463 1.341 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.612 5.776 0.774 1.00 0.00 H new ATOM 1230 N LYS A 83 13.098 6.489 4.494 1.00 0.00 N ATOM 1231 CA LYS A 83 14.342 6.162 5.131 1.00 0.00 C ATOM 1232 C LYS A 83 14.771 7.221 6.130 1.00 0.00 C ATOM 1233 O LYS A 83 15.458 6.918 7.103 1.00 0.00 O ATOM 1234 CB LYS A 83 15.417 5.993 4.083 1.00 0.00 C ATOM 1235 CG LYS A 83 14.938 5.790 2.698 1.00 0.00 C ATOM 1236 CD LYS A 83 16.085 5.442 1.750 1.00 0.00 C ATOM 1237 CE LYS A 83 16.881 4.227 2.213 1.00 0.00 C ATOM 1238 NZ LYS A 83 18.009 3.923 1.293 1.00 0.00 N1+ ATOM 0 H LYS A 83 13.185 6.680 3.496 1.00 0.00 H new ATOM 0 HA LYS A 83 14.196 5.231 5.679 1.00 0.00 H new ATOM 0 HB2 LYS A 83 16.057 6.875 4.101 1.00 0.00 H new ATOM 0 HB3 LYS A 83 16.039 5.142 4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.197 4.990 2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.439 6.694 2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 83 15.683 5.251 0.755 1.00 0.00 H new ATOM 0 HD3 LYS A 83 16.754 6.299 1.665 1.00 0.00 H new ATOM 0 HE2 LYS A 83 17.268 4.407 3.216 1.00 0.00 H new ATOM 0 HE3 LYS A 83 16.220 3.362 2.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 17.910 2.953 0.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 17.998 4.593 0.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 18.909 4.010 1.807 1.00 0.00 H new ATOM 1252 N ARG A 84 14.378 8.461 5.878 1.00 0.00 N ATOM 1253 CA ARG A 84 14.589 9.533 6.806 1.00 0.00 C ATOM 1254 C ARG A 84 13.925 9.193 8.122 1.00 0.00 C ATOM 1255 O ARG A 84 14.383 9.569 9.200 1.00 0.00 O ATOM 1256 CB ARG A 84 14.004 10.754 6.215 1.00 0.00 C ATOM 1257 CG ARG A 84 15.015 11.862 6.162 1.00 0.00 C ATOM 1258 CD ARG A 84 14.689 12.952 7.151 1.00 0.00 C ATOM 1259 NE ARG A 84 15.199 14.255 6.727 1.00 0.00 N ATOM 1260 CZ ARG A 84 15.160 15.355 7.479 1.00 0.00 C ATOM 1261 NH1 ARG A 84 14.648 15.312 8.704 1.00 0.00 N1+ ATOM 1262 NH2 ARG A 84 15.641 16.498 7.007 1.00 0.00 N ATOM 0 H ARG A 84 13.904 8.740 5.019 1.00 0.00 H new ATOM 0 HA ARG A 84 15.650 9.691 6.998 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.642 10.539 5.210 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.143 11.070 6.803 1.00 0.00 H new ATOM 0 HG2 ARG A 84 16.007 11.462 6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.047 12.279 5.156 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.608 13.012 7.280 1.00 0.00 H new ATOM 0 HD3 ARG A 84 15.112 12.697 8.122 1.00 0.00 H new ATOM 0 HE ARG A 84 15.611 14.327 5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.282 14.434 9.073 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.621 16.157 9.275 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.040 16.535 6.069 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.611 17.340 7.582 1.00 0.00 H new ATOM 1276 N MET A 85 12.829 8.469 7.994 1.00 0.00 N ATOM 1277 CA MET A 85 12.130 7.911 9.136 1.00 0.00 C ATOM 1278 C MET A 85 12.697 6.550 9.527 1.00 0.00 C ATOM 1279 O MET A 85 12.870 6.260 10.712 1.00 0.00 O ATOM 1280 CB MET A 85 10.643 7.753 8.830 1.00 0.00 C ATOM 1281 CG MET A 85 9.939 9.054 8.517 1.00 0.00 C ATOM 1282 SD MET A 85 8.189 8.826 8.143 1.00 0.00 S ATOM 1283 CE MET A 85 7.596 8.136 9.686 1.00 0.00 C ATOM 0 H MET A 85 12.398 8.251 7.095 1.00 0.00 H new ATOM 0 HA MET A 85 12.267 8.604 9.966 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.526 7.076 7.984 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.155 7.283 9.684 1.00 0.00 H new ATOM 0 HG2 MET A 85 10.040 9.730 9.366 1.00 0.00 H new ATOM 0 HG3 MET A 85 10.428 9.532 7.669 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.614 8.549 9.915 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.522 7.052 9.595 1.00 0.00 H new ATOM 0 HE3 MET A 85 8.291 8.387 10.488 1.00 0.00 H new ATOM 1293 N GLY A 86 12.983 5.704 8.527 1.00 0.00 N ATOM 1294 CA GLY A 86 13.381 4.339 8.821 1.00 0.00 C ATOM 1295 C GLY A 86 12.179 3.455 9.107 1.00 0.00 C ATOM 1296 O GLY A 86 12.312 2.336 9.603 1.00 0.00 O ATOM 0 H GLY A 86 12.945 5.941 7.536 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.940 3.933 7.978 1.00 0.00 H new ATOM 0 HA3 GLY A 86 14.051 4.332 9.681 1.00 0.00 H new ATOM 1300 N ILE A 87 11.005 3.983 8.804 1.00 0.00 N ATOM 1301 CA ILE A 87 9.743 3.306 8.991 1.00 0.00 C ATOM 1302 C ILE A 87 8.686 4.029 8.163 1.00 0.00 C ATOM 1303 O ILE A 87 8.873 5.186 7.783 1.00 0.00 O ATOM 1304 CB ILE A 87 9.343 3.273 10.484 1.00 0.00 C ATOM 1305 CG1 ILE A 87 8.486 2.045 10.804 1.00 0.00 C ATOM 1306 CG2 ILE A 87 8.576 4.526 10.831 1.00 0.00 C ATOM 1307 CD1 ILE A 87 8.434 1.701 12.274 1.00 0.00 C ATOM 0 H ILE A 87 10.906 4.919 8.411 1.00 0.00 H new ATOM 0 HA ILE A 87 9.831 2.271 8.662 1.00 0.00 H new ATOM 0 HB ILE A 87 10.255 3.217 11.078 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.471 2.219 10.445 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.876 1.189 10.254 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.295 4.501 11.884 1.00 0.00 H new ATOM 0 HG22 ILE A 87 9.201 5.399 10.643 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.677 4.584 10.217 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.808 0.821 12.420 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.441 1.494 12.635 1.00 0.00 H new ATOM 0 HD13 ILE A 87 8.015 2.540 12.829 1.00 0.00 H new ATOM 1319 N VAL A 88 7.608 3.344 7.867 1.00 0.00 N ATOM 1320 CA VAL A 88 6.523 3.901 7.081 1.00 0.00 C ATOM 1321 C VAL A 88 5.186 3.607 7.731 1.00 0.00 C ATOM 1322 O VAL A 88 4.973 2.511 8.230 1.00 0.00 O ATOM 1323 CB VAL A 88 6.535 3.305 5.665 1.00 0.00 C ATOM 1324 CG1 VAL A 88 7.685 3.874 4.879 1.00 0.00 C ATOM 1325 CG2 VAL A 88 6.660 1.794 5.722 1.00 0.00 C ATOM 0 H VAL A 88 7.454 2.380 8.164 1.00 0.00 H new ATOM 0 HA VAL A 88 6.665 4.980 7.026 1.00 0.00 H new ATOM 0 HB VAL A 88 5.596 3.562 5.176 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.687 3.447 3.876 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.579 4.957 4.812 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.623 3.631 5.379 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.667 1.391 4.709 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.588 1.524 6.226 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.815 1.379 6.272 1.00 0.00 H new ATOM 1335 N THR A 89 4.283 4.567 7.731 1.00 0.00 N ATOM 1336 CA THR A 89 2.970 4.332 8.301 1.00 0.00 C ATOM 1337 C THR A 89 1.927 4.221 7.205 1.00 0.00 C ATOM 1338 O THR A 89 1.849 5.060 6.312 1.00 0.00 O ATOM 1339 CB THR A 89 2.548 5.424 9.295 1.00 0.00 C ATOM 1340 OG1 THR A 89 3.656 5.777 10.135 1.00 0.00 O ATOM 1341 CG2 THR A 89 1.393 4.918 10.155 1.00 0.00 C ATOM 0 H THR A 89 4.429 5.502 7.350 1.00 0.00 H new ATOM 0 HA THR A 89 3.037 3.393 8.851 1.00 0.00 H new ATOM 0 HB THR A 89 2.227 6.305 8.740 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.380 6.475 10.765 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.096 5.695 10.859 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.547 4.665 9.516 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.710 4.032 10.705 1.00 0.00 H new ATOM 1349 N SER A 90 1.145 3.163 7.287 1.00 0.00 N ATOM 1350 CA SER A 90 0.119 2.867 6.314 1.00 0.00 C ATOM 1351 C SER A 90 -1.055 3.837 6.426 1.00 0.00 C ATOM 1352 O SER A 90 -1.179 4.555 7.417 1.00 0.00 O ATOM 1353 CB SER A 90 -0.354 1.426 6.528 1.00 0.00 C ATOM 1354 OG SER A 90 -1.514 1.138 5.766 1.00 0.00 O ATOM 0 H SER A 90 1.207 2.478 8.041 1.00 0.00 H new ATOM 0 HA SER A 90 0.534 2.981 5.313 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.444 0.736 6.252 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.563 1.265 7.585 1.00 0.00 H new ATOM 0 HG SER A 90 -1.698 0.176 5.801 1.00 0.00 H new ATOM 1360 N LEU A 91 -1.910 3.845 5.407 1.00 0.00 N ATOM 1361 CA LEU A 91 -3.149 4.607 5.428 1.00 0.00 C ATOM 1362 C LEU A 91 -3.991 4.195 6.630 1.00 0.00 C ATOM 1363 O LEU A 91 -4.751 4.985 7.191 1.00 0.00 O ATOM 1364 CB LEU A 91 -3.930 4.327 4.151 1.00 0.00 C ATOM 1365 CG LEU A 91 -4.840 5.454 3.700 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -4.231 6.788 4.038 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -5.074 5.363 2.216 1.00 0.00 C ATOM 0 H LEU A 91 -1.761 3.322 4.544 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.917 5.670 5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.223 4.108 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.532 3.430 4.299 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.793 5.361 4.221 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.896 7.586 3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.086 6.859 5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.269 6.887 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.728 6.176 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.121 5.440 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.542 4.408 1.979 1.00 0.00 H new ATOM 1379 N GLU A 92 -3.826 2.932 7.011 1.00 0.00 N ATOM 1380 CA GLU A 92 -4.561 2.341 8.130 1.00 0.00 C ATOM 1381 C GLU A 92 -3.931 2.787 9.444 1.00 0.00 C ATOM 1382 O GLU A 92 -4.561 2.778 10.503 1.00 0.00 O ATOM 1383 CB GLU A 92 -4.499 0.818 8.027 1.00 0.00 C ATOM 1384 CG GLU A 92 -3.093 0.298 8.218 1.00 0.00 C ATOM 1385 CD GLU A 92 -2.860 -1.082 7.661 1.00 0.00 C ATOM 1386 OE1 GLU A 92 -2.480 -1.180 6.476 1.00 0.00 O ATOM 1387 OE2 GLU A 92 -2.990 -2.060 8.425 1.00 0.00 O1- ATOM 0 H GLU A 92 -3.180 2.288 6.555 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.600 2.668 8.097 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.155 0.376 8.777 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.873 0.504 7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.395 0.990 7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.863 0.290 9.283 1.00 0.00 H new ATOM 1394 N GLY A 93 -2.667 3.163 9.342 1.00 0.00 N ATOM 1395 CA GLY A 93 -1.895 3.583 10.490 1.00 0.00 C ATOM 1396 C GLY A 93 -0.884 2.538 10.918 1.00 0.00 C ATOM 1397 O GLY A 93 -0.300 2.636 11.995 1.00 0.00 O ATOM 0 H GLY A 93 -2.152 3.184 8.462 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.376 4.512 10.256 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.569 3.795 11.320 1.00 0.00 H new ATOM 1401 N SER A 94 -0.670 1.530 10.081 1.00 0.00 N ATOM 1402 CA SER A 94 0.264 0.484 10.393 1.00 0.00 C ATOM 1403 C SER A 94 1.675 0.818 9.919 1.00 0.00 C ATOM 1404 O SER A 94 1.901 1.067 8.738 1.00 0.00 O ATOM 1405 CB SER A 94 -0.231 -0.807 9.770 1.00 0.00 C ATOM 1406 OG SER A 94 -1.444 -1.226 10.382 1.00 0.00 O ATOM 0 H SER A 94 -1.138 1.425 9.181 1.00 0.00 H new ATOM 0 HA SER A 94 0.324 0.374 11.476 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.387 -0.664 8.701 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.526 -1.584 9.881 1.00 0.00 H new ATOM 0 HG SER A 94 -1.911 -1.851 9.789 1.00 0.00 H new ATOM 1412 N THR A 95 2.612 0.826 10.855 1.00 0.00 N ATOM 1413 CA THR A 95 4.005 1.127 10.566 1.00 0.00 C ATOM 1414 C THR A 95 4.799 -0.101 10.100 1.00 0.00 C ATOM 1415 O THR A 95 4.668 -1.196 10.646 1.00 0.00 O ATOM 1416 CB THR A 95 4.682 1.729 11.806 1.00 0.00 C ATOM 1417 OG1 THR A 95 3.823 1.574 12.949 1.00 0.00 O ATOM 1418 CG2 THR A 95 4.996 3.200 11.594 1.00 0.00 C ATOM 0 H THR A 95 2.427 0.624 11.837 1.00 0.00 H new ATOM 0 HA THR A 95 4.005 1.845 9.746 1.00 0.00 H new ATOM 0 HB THR A 95 5.620 1.200 11.978 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.258 1.957 13.739 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.475 3.602 12.487 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.667 3.310 10.742 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.072 3.745 11.401 1.00 0.00 H new ATOM 1426 N ILE A 96 5.626 0.114 9.084 1.00 0.00 N ATOM 1427 CA ILE A 96 6.507 -0.907 8.536 1.00 0.00 C ATOM 1428 C ILE A 96 7.930 -0.346 8.488 1.00 0.00 C ATOM 1429 O ILE A 96 8.134 0.762 8.014 1.00 0.00 O ATOM 1430 CB ILE A 96 6.055 -1.354 7.115 1.00 0.00 C ATOM 1431 CG1 ILE A 96 4.980 -2.445 7.183 1.00 0.00 C ATOM 1432 CG2 ILE A 96 7.224 -1.838 6.279 1.00 0.00 C ATOM 1433 CD1 ILE A 96 3.576 -1.914 7.397 1.00 0.00 C ATOM 0 H ILE A 96 5.704 1.015 8.612 1.00 0.00 H new ATOM 0 HA ILE A 96 6.468 -1.788 9.177 1.00 0.00 H new ATOM 0 HB ILE A 96 5.629 -0.473 6.634 1.00 0.00 H new ATOM 0 HG12 ILE A 96 5.003 -3.021 6.258 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.225 -3.132 7.993 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.867 -2.141 5.295 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.951 -1.033 6.169 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.696 -2.688 6.771 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.874 -2.747 7.434 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.535 -1.363 8.336 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.309 -1.250 6.575 1.00 0.00 H new ATOM 1445 N PRO A 97 8.928 -1.072 9.002 1.00 0.00 N ATOM 1446 CA PRO A 97 10.293 -0.550 9.110 1.00 0.00 C ATOM 1447 C PRO A 97 11.006 -0.451 7.774 1.00 0.00 C ATOM 1448 O PRO A 97 10.958 -1.360 6.943 1.00 0.00 O ATOM 1449 CB PRO A 97 11.011 -1.553 10.020 1.00 0.00 C ATOM 1450 CG PRO A 97 9.967 -2.519 10.485 1.00 0.00 C ATOM 1451 CD PRO A 97 8.832 -2.443 9.508 1.00 0.00 C ATOM 0 HA PRO A 97 10.286 0.468 9.498 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.805 -2.069 9.480 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.477 -1.047 10.866 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.370 -3.531 10.529 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.628 -2.266 11.490 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.937 -3.177 8.709 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.872 -2.630 9.989 1.00 0.00 H new ATOM 1459 N ILE A 98 11.654 0.683 7.590 1.00 0.00 N ATOM 1460 CA ILE A 98 12.432 0.957 6.410 1.00 0.00 C ATOM 1461 C ILE A 98 13.916 0.710 6.643 1.00 0.00 C ATOM 1462 O ILE A 98 14.481 1.091 7.668 1.00 0.00 O ATOM 1463 CB ILE A 98 12.209 2.409 5.959 1.00 0.00 C ATOM 1464 CG1 ILE A 98 10.758 2.593 5.525 1.00 0.00 C ATOM 1465 CG2 ILE A 98 13.170 2.802 4.852 1.00 0.00 C ATOM 1466 CD1 ILE A 98 10.342 1.684 4.393 1.00 0.00 C ATOM 0 H ILE A 98 11.651 1.446 8.267 1.00 0.00 H new ATOM 0 HA ILE A 98 12.099 0.275 5.628 1.00 0.00 H new ATOM 0 HB ILE A 98 12.411 3.070 6.802 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.107 2.414 6.381 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.608 3.629 5.221 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.984 3.835 4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.195 2.706 5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 98 13.022 2.148 3.993 1.00 0.00 H new ATOM 0 HD11 ILE A 98 9.299 1.872 4.140 1.00 0.00 H new ATOM 0 HD12 ILE A 98 10.968 1.878 3.522 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.459 0.644 4.699 1.00 0.00 H new ATOM 1478 N HIS A 99 14.517 0.053 5.678 1.00 0.00 N ATOM 1479 CA HIS A 99 15.942 -0.222 5.661 1.00 0.00 C ATOM 1480 C HIS A 99 16.512 0.243 4.330 1.00 0.00 C ATOM 1481 O HIS A 99 15.784 0.796 3.502 1.00 0.00 O ATOM 1482 CB HIS A 99 16.235 -1.704 5.883 1.00 0.00 C ATOM 1483 CG HIS A 99 15.816 -2.207 7.231 1.00 0.00 C ATOM 1484 ND1 HIS A 99 14.742 -3.049 7.418 1.00 0.00 N ATOM 1485 CD2 HIS A 99 16.339 -1.988 8.460 1.00 0.00 C ATOM 1486 CE1 HIS A 99 14.620 -3.326 8.703 1.00 0.00 C ATOM 1487 NE2 HIS A 99 15.576 -2.694 9.357 1.00 0.00 N ATOM 0 H HIS A 99 14.022 -0.314 4.865 1.00 0.00 H new ATOM 0 HA HIS A 99 16.415 0.320 6.480 1.00 0.00 H new ATOM 0 HB2 HIS A 99 15.726 -2.285 5.114 1.00 0.00 H new ATOM 0 HB3 HIS A 99 17.304 -1.877 5.757 1.00 0.00 H new ATOM 0 HD2 HIS A 99 17.196 -1.373 8.692 1.00 0.00 H new ATOM 0 HE1 HIS A 99 13.866 -3.962 9.144 1.00 0.00 H new ATOM 0 HE2 HIS A 99 15.724 -2.725 10.366 1.00 0.00 H new ATOM 1496 N GLY A 100 17.800 0.048 4.129 1.00 0.00 N ATOM 1497 CA GLY A 100 18.428 0.545 2.930 1.00 0.00 C ATOM 1498 C GLY A 100 19.929 0.659 3.048 1.00 0.00 C ATOM 1499 O GLY A 100 20.448 1.611 3.633 1.00 0.00 O ATOM 0 H GLY A 100 18.421 -0.444 4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.185 -0.117 2.099 1.00 0.00 H new ATOM 0 HA3 GLY A 100 18.014 1.524 2.690 1.00 0.00 H new ATOM 1503 N ASP A 101 20.619 -0.322 2.498 1.00 0.00 N ATOM 1504 CA ASP A 101 22.075 -0.289 2.420 1.00 0.00 C ATOM 1505 C ASP A 101 22.485 0.532 1.208 1.00 0.00 C ATOM 1506 O ASP A 101 23.481 1.259 1.228 1.00 0.00 O ATOM 1507 CB ASP A 101 22.645 -1.707 2.317 1.00 0.00 C ATOM 1508 CG ASP A 101 24.162 -1.729 2.298 1.00 0.00 C ATOM 1509 OD1 ASP A 101 24.775 -1.783 3.385 1.00 0.00 O ATOM 1510 OD2 ASP A 101 24.754 -1.710 1.198 1.00 0.00 O1- ATOM 0 H ASP A 101 20.196 -1.158 2.095 1.00 0.00 H new ATOM 0 HA ASP A 101 22.473 0.167 3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 101 22.288 -2.300 3.159 1.00 0.00 H new ATOM 0 HB3 ASP A 101 22.268 -2.181 1.411 1.00 0.00 H new ATOM 1515 N ASN A 102 21.683 0.416 0.159 1.00 0.00 N ATOM 1516 CA ASN A 102 21.866 1.200 -1.056 1.00 0.00 C ATOM 1517 C ASN A 102 20.503 1.567 -1.660 1.00 0.00 C ATOM 1518 O ASN A 102 20.223 2.748 -1.866 1.00 0.00 O ATOM 1519 CB ASN A 102 22.741 0.455 -2.070 1.00 0.00 C ATOM 1520 CG ASN A 102 22.925 1.233 -3.359 1.00 0.00 C ATOM 1521 OD1 ASN A 102 22.130 1.116 -4.293 1.00 0.00 O ATOM 1522 ND2 ASN A 102 23.983 2.026 -3.422 1.00 0.00 N ATOM 0 H ASN A 102 20.888 -0.223 0.125 1.00 0.00 H new ATOM 0 HA ASN A 102 22.386 2.122 -0.796 1.00 0.00 H new ATOM 0 HB2 ASN A 102 23.717 0.256 -1.627 1.00 0.00 H new ATOM 0 HB3 ASN A 102 22.290 -0.512 -2.294 1.00 0.00 H new ATOM 0 HD21 ASN A 102 24.164 2.569 -4.267 1.00 0.00 H new ATOM 0 HD22 ASN A 102 24.617 2.094 -2.626 1.00 0.00 H new ATOM 1529 N PRO A 103 19.624 0.578 -1.955 1.00 0.00 N ATOM 1530 CA PRO A 103 18.251 0.855 -2.358 1.00 0.00 C ATOM 1531 C PRO A 103 17.357 1.018 -1.138 1.00 0.00 C ATOM 1532 O PRO A 103 17.810 0.834 -0.007 1.00 0.00 O ATOM 1533 CB PRO A 103 17.876 -0.403 -3.128 1.00 0.00 C ATOM 1534 CG PRO A 103 18.566 -1.482 -2.389 1.00 0.00 C ATOM 1535 CD PRO A 103 19.874 -0.888 -1.942 1.00 0.00 C ATOM 0 HA PRO A 103 18.142 1.773 -2.936 1.00 0.00 H new ATOM 0 HB2 PRO A 103 16.797 -0.556 -3.145 1.00 0.00 H new ATOM 0 HB3 PRO A 103 18.207 -0.352 -4.165 1.00 0.00 H new ATOM 0 HG2 PRO A 103 17.974 -1.815 -1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 103 18.727 -2.353 -3.025 1.00 0.00 H new ATOM 0 HD2 PRO A 103 20.152 -1.237 -0.948 1.00 0.00 H new ATOM 0 HD3 PRO A 103 20.687 -1.161 -2.615 1.00 0.00 H new ATOM 1543 N LEU A 104 16.109 1.392 -1.348 1.00 0.00 N ATOM 1544 CA LEU A 104 15.156 1.385 -0.259 1.00 0.00 C ATOM 1545 C LEU A 104 14.796 -0.055 0.069 1.00 0.00 C ATOM 1546 O LEU A 104 14.826 -0.925 -0.803 1.00 0.00 O ATOM 1547 CB LEU A 104 13.891 2.159 -0.602 1.00 0.00 C ATOM 1548 CG LEU A 104 12.902 2.304 0.554 1.00 0.00 C ATOM 1549 CD1 LEU A 104 13.353 3.377 1.525 1.00 0.00 C ATOM 1550 CD2 LEU A 104 11.526 2.620 0.029 1.00 0.00 C ATOM 0 H LEU A 104 15.738 1.699 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 104 15.617 1.874 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.172 3.153 -0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 104 13.390 1.661 -1.432 1.00 0.00 H new ATOM 0 HG LEU A 104 12.866 1.355 1.089 1.00 0.00 H new ATOM 0 HD11 LEU A 104 12.631 3.459 2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.329 3.112 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 104 13.424 4.332 1.005 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.832 2.720 0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 104 11.556 3.554 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.192 1.815 -0.625 1.00 0.00 H new ATOM 1562 N GLU A 105 14.454 -0.302 1.311 1.00 0.00 N ATOM 1563 CA GLU A 105 14.151 -1.647 1.769 1.00 0.00 C ATOM 1564 C GLU A 105 12.980 -1.593 2.736 1.00 0.00 C ATOM 1565 O GLU A 105 13.107 -1.139 3.865 1.00 0.00 O ATOM 1566 CB GLU A 105 15.382 -2.280 2.431 1.00 0.00 C ATOM 1567 CG GLU A 105 16.601 -2.336 1.517 1.00 0.00 C ATOM 1568 CD GLU A 105 17.782 -3.057 2.125 1.00 0.00 C ATOM 1569 OE1 GLU A 105 17.637 -4.241 2.485 1.00 0.00 O ATOM 1570 OE2 GLU A 105 18.872 -2.457 2.217 1.00 0.00 O1- ATOM 0 H GLU A 105 14.377 0.415 2.032 1.00 0.00 H new ATOM 0 HA GLU A 105 13.879 -2.269 0.916 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.635 -1.713 3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.132 -3.291 2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.324 -2.831 0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 105 16.899 -1.319 1.261 1.00 0.00 H new ATOM 1577 N VAL A 106 11.839 -2.035 2.268 1.00 0.00 N ATOM 1578 CA VAL A 106 10.603 -1.926 3.018 1.00 0.00 C ATOM 1579 C VAL A 106 10.140 -3.296 3.515 1.00 0.00 C ATOM 1580 O VAL A 106 10.146 -4.257 2.754 1.00 0.00 O ATOM 1581 CB VAL A 106 9.528 -1.233 2.136 1.00 0.00 C ATOM 1582 CG1 VAL A 106 9.885 -1.354 0.662 1.00 0.00 C ATOM 1583 CG2 VAL A 106 8.134 -1.793 2.370 1.00 0.00 C ATOM 0 H VAL A 106 11.736 -2.481 1.357 1.00 0.00 H new ATOM 0 HA VAL A 106 10.769 -1.314 3.904 1.00 0.00 H new ATOM 0 HB VAL A 106 9.517 -0.182 2.427 1.00 0.00 H new ATOM 0 HG11 VAL A 106 9.120 -0.863 0.061 1.00 0.00 H new ATOM 0 HG12 VAL A 106 10.849 -0.879 0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 106 9.942 -2.407 0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.421 -1.274 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 106 8.125 -2.857 2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.855 -1.650 3.414 1.00 0.00 H new ATOM 1593 N LYS A 107 9.780 -3.364 4.812 1.00 0.00 N ATOM 1594 CA LYS A 107 9.292 -4.588 5.487 1.00 0.00 C ATOM 1595 C LYS A 107 10.265 -5.767 5.361 1.00 0.00 C ATOM 1596 O LYS A 107 11.065 -6.017 6.263 1.00 0.00 O ATOM 1597 CB LYS A 107 7.837 -4.967 5.079 1.00 0.00 C ATOM 1598 CG LYS A 107 7.558 -5.138 3.586 1.00 0.00 C ATOM 1599 CD LYS A 107 6.074 -5.087 3.280 1.00 0.00 C ATOM 1600 CE LYS A 107 5.352 -6.253 3.920 1.00 0.00 C ATOM 1601 NZ LYS A 107 5.688 -7.561 3.282 1.00 0.00 N1+ ATOM 0 H LYS A 107 9.820 -2.556 5.433 1.00 0.00 H new ATOM 0 HA LYS A 107 9.252 -4.342 6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 107 7.576 -5.898 5.581 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.166 -4.199 5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 107 8.071 -4.354 3.028 1.00 0.00 H new ATOM 0 HG3 LYS A 107 7.966 -6.090 3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.655 -4.149 3.645 1.00 0.00 H new ATOM 0 HD3 LYS A 107 5.920 -5.106 2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 107 5.606 -6.295 4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 107 4.276 -6.088 3.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 5.116 -8.315 3.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.485 -7.513 2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.697 -7.768 3.425 1.00 0.00 H new ATOM 1615 N ASN A 108 10.214 -6.461 4.250 1.00 0.00 N ATOM 1616 CA ASN A 108 11.053 -7.622 4.002 1.00 0.00 C ATOM 1617 C ASN A 108 11.389 -7.663 2.521 1.00 0.00 C ATOM 1618 O ASN A 108 11.726 -8.706 1.959 1.00 0.00 O ATOM 1619 CB ASN A 108 10.336 -8.912 4.439 1.00 0.00 C ATOM 1620 CG ASN A 108 8.995 -9.129 3.743 1.00 0.00 C ATOM 1621 OD1 ASN A 108 8.333 -8.183 3.315 1.00 0.00 O ATOM 1622 ND2 ASN A 108 8.573 -10.379 3.646 1.00 0.00 N ATOM 0 H ASN A 108 9.583 -6.238 3.480 1.00 0.00 H new ATOM 0 HA ASN A 108 11.972 -7.548 4.584 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.984 -9.765 4.236 1.00 0.00 H new ATOM 0 HB3 ASN A 108 10.176 -8.882 5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 108 7.675 -10.581 3.206 1.00 0.00 H new ATOM 0 HD22 ASN A 108 9.146 -11.140 4.011 1.00 0.00 H new ATOM 1629 N ALA A 109 11.301 -6.491 1.908 1.00 0.00 N ATOM 1630 CA ALA A 109 11.426 -6.346 0.473 1.00 0.00 C ATOM 1631 C ALA A 109 12.499 -5.324 0.112 1.00 0.00 C ATOM 1632 O ALA A 109 12.909 -4.520 0.948 1.00 0.00 O ATOM 1633 CB ALA A 109 10.076 -5.941 -0.103 1.00 0.00 C ATOM 0 H ALA A 109 11.140 -5.612 2.399 1.00 0.00 H new ATOM 0 HA ALA A 109 11.733 -7.300 0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.160 -5.829 -1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.337 -6.709 0.126 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.762 -4.994 0.336 1.00 0.00 H new ATOM 1639 N THR A 110 12.941 -5.361 -1.134 1.00 0.00 N ATOM 1640 CA THR A 110 13.983 -4.495 -1.613 1.00 0.00 C ATOM 1641 C THR A 110 13.472 -3.693 -2.788 1.00 0.00 C ATOM 1642 O THR A 110 12.881 -4.245 -3.712 1.00 0.00 O ATOM 1643 CB THR A 110 15.211 -5.294 -2.073 1.00 0.00 C ATOM 1644 OG1 THR A 110 15.491 -6.342 -1.134 1.00 0.00 O ATOM 1645 CG2 THR A 110 16.426 -4.385 -2.197 1.00 0.00 C ATOM 0 H THR A 110 12.578 -6.001 -1.840 1.00 0.00 H new ATOM 0 HA THR A 110 14.274 -3.840 -0.791 1.00 0.00 H new ATOM 0 HB THR A 110 14.994 -5.727 -3.050 1.00 0.00 H new ATOM 0 HG1 THR A 110 14.835 -7.062 -1.242 1.00 0.00 H new ATOM 0 HG21 THR A 110 17.286 -4.970 -2.524 1.00 0.00 H new ATOM 0 HG22 THR A 110 16.221 -3.601 -2.927 1.00 0.00 H new ATOM 0 HG23 THR A 110 16.642 -3.932 -1.229 1.00 0.00 H new ATOM 1653 N VAL A 111 13.691 -2.406 -2.747 1.00 0.00 N ATOM 1654 CA VAL A 111 13.243 -1.532 -3.808 1.00 0.00 C ATOM 1655 C VAL A 111 14.168 -1.596 -5.020 1.00 0.00 C ATOM 1656 O VAL A 111 15.385 -1.445 -4.907 1.00 0.00 O ATOM 1657 CB VAL A 111 13.110 -0.081 -3.315 1.00 0.00 C ATOM 1658 CG1 VAL A 111 13.206 0.907 -4.463 1.00 0.00 C ATOM 1659 CG2 VAL A 111 11.795 0.098 -2.577 1.00 0.00 C ATOM 0 H VAL A 111 14.180 -1.933 -1.987 1.00 0.00 H new ATOM 0 HA VAL A 111 12.259 -1.884 -4.117 1.00 0.00 H new ATOM 0 HB VAL A 111 13.936 0.120 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 111 13.108 1.922 -4.078 1.00 0.00 H new ATOM 0 HG12 VAL A 111 14.171 0.798 -4.957 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.408 0.712 -5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 111 11.709 1.128 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 111 10.967 -0.130 -3.248 1.00 0.00 H new ATOM 0 HG23 VAL A 111 11.764 -0.576 -1.721 1.00 0.00 H new ATOM 1669 N LEU A 112 13.562 -1.841 -6.171 1.00 0.00 N ATOM 1670 CA LEU A 112 14.263 -1.842 -7.438 1.00 0.00 C ATOM 1671 C LEU A 112 14.251 -0.441 -8.016 1.00 0.00 C ATOM 1672 O LEU A 112 15.236 0.024 -8.587 1.00 0.00 O ATOM 1673 CB LEU A 112 13.601 -2.801 -8.430 1.00 0.00 C ATOM 1674 CG LEU A 112 13.753 -4.277 -8.114 1.00 0.00 C ATOM 1675 CD1 LEU A 112 12.718 -4.657 -7.088 1.00 0.00 C ATOM 1676 CD2 LEU A 112 13.608 -5.114 -9.374 1.00 0.00 C ATOM 0 H LEU A 112 12.566 -2.045 -6.249 1.00 0.00 H new ATOM 0 HA LEU A 112 15.287 -2.173 -7.267 1.00 0.00 H new ATOM 0 HB2 LEU A 112 12.538 -2.566 -8.481 1.00 0.00 H new ATOM 0 HB3 LEU A 112 14.016 -2.615 -9.420 1.00 0.00 H new ATOM 0 HG LEU A 112 14.748 -4.468 -7.712 1.00 0.00 H new ATOM 0 HD11 LEU A 112 12.814 -5.716 -6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 112 12.868 -4.067 -6.184 1.00 0.00 H new ATOM 0 HD13 LEU A 112 11.722 -4.464 -7.487 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.720 -6.169 -9.125 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.623 -4.947 -9.810 1.00 0.00 H new ATOM 0 HD23 LEU A 112 14.376 -4.827 -10.092 1.00 0.00 H new ATOM 1688 N ALA A 113 13.119 0.224 -7.847 1.00 0.00 N ATOM 1689 CA ALA A 113 12.924 1.568 -8.361 1.00 0.00 C ATOM 1690 C ALA A 113 11.900 2.304 -7.512 1.00 0.00 C ATOM 1691 O ALA A 113 10.755 1.875 -7.401 1.00 0.00 O ATOM 1692 CB ALA A 113 12.467 1.520 -9.811 1.00 0.00 C ATOM 0 H ALA A 113 12.312 -0.153 -7.350 1.00 0.00 H new ATOM 0 HA ALA A 113 13.873 2.102 -8.315 1.00 0.00 H new ATOM 0 HB1 ALA A 113 12.325 2.535 -10.182 1.00 0.00 H new ATOM 0 HB2 ALA A 113 13.222 1.016 -10.414 1.00 0.00 H new ATOM 0 HB3 ALA A 113 11.526 0.975 -9.878 1.00 0.00 H new ATOM 1698 N ALA A 114 12.315 3.390 -6.888 1.00 0.00 N ATOM 1699 CA ALA A 114 11.426 4.167 -6.066 1.00 0.00 C ATOM 1700 C ALA A 114 11.645 5.639 -6.310 1.00 0.00 C ATOM 1701 O ALA A 114 12.395 6.016 -7.212 1.00 0.00 O ATOM 1702 CB ALA A 114 11.640 3.825 -4.610 1.00 0.00 C ATOM 0 H ALA A 114 13.268 3.750 -6.939 1.00 0.00 H new ATOM 0 HA ALA A 114 10.395 3.928 -6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 114 10.963 4.417 -3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 114 11.441 2.765 -4.452 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.671 4.046 -4.332 1.00 0.00 H new ATOM 1708 N ASP A 115 10.961 6.462 -5.517 1.00 0.00 N ATOM 1709 CA ASP A 115 10.959 7.902 -5.708 1.00 0.00 C ATOM 1710 C ASP A 115 10.259 8.201 -7.026 1.00 0.00 C ATOM 1711 O ASP A 115 10.509 9.210 -7.683 1.00 0.00 O ATOM 1712 CB ASP A 115 12.386 8.464 -5.699 1.00 0.00 C ATOM 1713 CG ASP A 115 13.173 8.083 -4.464 1.00 0.00 C ATOM 1714 OD1 ASP A 115 13.065 8.793 -3.443 1.00 0.00 O ATOM 1715 OD2 ASP A 115 13.921 7.083 -4.514 1.00 0.00 O1- ATOM 0 H ASP A 115 10.396 6.146 -4.728 1.00 0.00 H new ATOM 0 HA ASP A 115 10.428 8.384 -4.888 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.915 8.107 -6.583 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.341 9.551 -5.772 1.00 0.00 H new ATOM 1720 N ILE A 116 9.366 7.283 -7.381 1.00 0.00 N ATOM 1721 CA ILE A 116 8.606 7.332 -8.605 1.00 0.00 C ATOM 1722 C ILE A 116 7.381 8.188 -8.403 1.00 0.00 C ATOM 1723 O ILE A 116 6.508 7.836 -7.623 1.00 0.00 O ATOM 1724 CB ILE A 116 8.135 5.923 -9.008 1.00 0.00 C ATOM 1725 CG1 ILE A 116 9.302 4.935 -8.978 1.00 0.00 C ATOM 1726 CG2 ILE A 116 7.481 5.950 -10.376 1.00 0.00 C ATOM 1727 CD1 ILE A 116 8.957 3.563 -9.520 1.00 0.00 C ATOM 0 H ILE A 116 9.153 6.469 -6.805 1.00 0.00 H new ATOM 0 HA ILE A 116 9.245 7.745 -9.385 1.00 0.00 H new ATOM 0 HB ILE A 116 7.392 5.588 -8.285 1.00 0.00 H new ATOM 0 HG12 ILE A 116 10.129 5.346 -9.557 1.00 0.00 H new ATOM 0 HG13 ILE A 116 9.652 4.832 -7.951 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.155 4.945 -10.643 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.619 6.617 -10.354 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.198 6.307 -11.115 1.00 0.00 H new ATOM 0 HD11 ILE A 116 9.835 2.919 -9.466 1.00 0.00 H new ATOM 0 HD12 ILE A 116 8.152 3.129 -8.927 1.00 0.00 H new ATOM 0 HD13 ILE A 116 8.636 3.652 -10.558 1.00 0.00 H new ATOM 1739 N GLU A 117 7.319 9.301 -9.081 1.00 0.00 N ATOM 1740 CA GLU A 117 6.163 10.170 -8.977 1.00 0.00 C ATOM 1741 C GLU A 117 4.931 9.493 -9.555 1.00 0.00 C ATOM 1742 O GLU A 117 4.816 9.295 -10.766 1.00 0.00 O ATOM 1743 CB GLU A 117 6.408 11.491 -9.690 1.00 0.00 C ATOM 1744 CG GLU A 117 7.637 12.228 -9.192 1.00 0.00 C ATOM 1745 CD GLU A 117 7.789 13.588 -9.835 1.00 0.00 C ATOM 1746 OE1 GLU A 117 7.164 14.554 -9.352 1.00 0.00 O ATOM 1747 OE2 GLU A 117 8.534 13.698 -10.832 1.00 0.00 O1- ATOM 0 H GLU A 117 8.049 9.633 -9.711 1.00 0.00 H new ATOM 0 HA GLU A 117 5.993 10.372 -7.919 1.00 0.00 H new ATOM 0 HB2 GLU A 117 6.514 11.304 -10.759 1.00 0.00 H new ATOM 0 HB3 GLU A 117 5.534 12.131 -9.564 1.00 0.00 H new ATOM 0 HG2 GLU A 117 7.575 12.345 -8.110 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.525 11.630 -9.397 1.00 0.00 H new ATOM 1754 N ALA A 118 4.026 9.117 -8.665 1.00 0.00 N ATOM 1755 CA ALA A 118 2.769 8.497 -9.053 1.00 0.00 C ATOM 1756 C ALA A 118 1.779 9.543 -9.526 1.00 0.00 C ATOM 1757 O ALA A 118 2.127 10.717 -9.680 1.00 0.00 O ATOM 1758 CB ALA A 118 2.179 7.722 -7.890 1.00 0.00 C ATOM 0 H ALA A 118 4.141 9.232 -7.658 1.00 0.00 H new ATOM 0 HA ALA A 118 2.971 7.808 -9.873 1.00 0.00 H new ATOM 0 HB1 ALA A 118 1.239 7.264 -8.197 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.877 6.944 -7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 118 1.997 8.400 -7.056 1.00 0.00 H new ATOM 1764 N GLU A 119 0.547 9.114 -9.765 1.00 0.00 N ATOM 1765 CA GLU A 119 -0.516 10.029 -10.150 1.00 0.00 C ATOM 1766 C GLU A 119 -0.633 11.179 -9.150 1.00 0.00 C ATOM 1767 O GLU A 119 -0.622 12.346 -9.533 1.00 0.00 O ATOM 1768 CB GLU A 119 -1.854 9.292 -10.278 1.00 0.00 C ATOM 1769 CG GLU A 119 -2.137 8.293 -9.165 1.00 0.00 C ATOM 1770 CD GLU A 119 -3.596 7.902 -9.104 1.00 0.00 C ATOM 1771 OE1 GLU A 119 -4.030 7.065 -9.921 1.00 0.00 O ATOM 1772 OE2 GLU A 119 -4.321 8.444 -8.243 1.00 0.00 O1- ATOM 0 H GLU A 119 0.260 8.137 -9.699 1.00 0.00 H new ATOM 0 HA GLU A 119 -0.261 10.446 -11.124 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -2.658 10.028 -10.301 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -1.875 8.767 -11.233 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -1.530 7.401 -9.317 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.838 8.723 -8.209 1.00 0.00 H new ATOM 1779 N ASN A 120 -0.729 10.845 -7.870 1.00 0.00 N ATOM 1780 CA ASN A 120 -0.856 11.855 -6.831 1.00 0.00 C ATOM 1781 C ASN A 120 0.285 11.790 -5.829 1.00 0.00 C ATOM 1782 O ASN A 120 0.442 12.686 -5.007 1.00 0.00 O ATOM 1783 CB ASN A 120 -2.202 11.724 -6.115 1.00 0.00 C ATOM 1784 CG ASN A 120 -3.346 12.300 -6.925 1.00 0.00 C ATOM 1785 OD1 ASN A 120 -3.160 13.240 -7.701 1.00 0.00 O ATOM 1786 ND2 ASN A 120 -4.537 11.755 -6.743 1.00 0.00 N ATOM 0 H ASN A 120 -0.721 9.884 -7.528 1.00 0.00 H new ATOM 0 HA ASN A 120 -0.807 12.828 -7.319 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -2.400 10.672 -5.909 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -2.150 12.233 -5.153 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -5.344 12.111 -7.254 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -4.648 10.978 -6.091 1.00 0.00 H new ATOM 1793 N GLY A 121 1.087 10.739 -5.886 1.00 0.00 N ATOM 1794 CA GLY A 121 2.142 10.594 -4.904 1.00 0.00 C ATOM 1795 C GLY A 121 3.386 9.963 -5.460 1.00 0.00 C ATOM 1796 O GLY A 121 4.008 10.500 -6.373 1.00 0.00 O ATOM 0 H GLY A 121 1.030 9.995 -6.581 1.00 0.00 H new ATOM 0 HA2 GLY A 121 2.390 11.575 -4.499 1.00 0.00 H new ATOM 0 HA3 GLY A 121 1.776 9.990 -4.074 1.00 0.00 H new ATOM 1800 N ILE A 122 3.734 8.816 -4.910 1.00 0.00 N ATOM 1801 CA ILE A 122 4.986 8.155 -5.208 1.00 0.00 C ATOM 1802 C ILE A 122 4.841 6.633 -5.177 1.00 0.00 C ATOM 1803 O ILE A 122 4.072 6.081 -4.397 1.00 0.00 O ATOM 1804 CB ILE A 122 6.043 8.587 -4.182 1.00 0.00 C ATOM 1805 CG1 ILE A 122 6.421 10.045 -4.386 1.00 0.00 C ATOM 1806 CG2 ILE A 122 7.280 7.719 -4.243 1.00 0.00 C ATOM 1807 CD1 ILE A 122 7.240 10.284 -5.638 1.00 0.00 C ATOM 0 H ILE A 122 3.151 8.315 -4.240 1.00 0.00 H new ATOM 0 HA ILE A 122 5.291 8.444 -6.214 1.00 0.00 H new ATOM 0 HB ILE A 122 5.600 8.465 -3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.512 10.645 -4.435 1.00 0.00 H new ATOM 0 HG13 ILE A 122 6.985 10.391 -3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 122 8.001 8.060 -3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 122 7.009 6.684 -4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.723 7.786 -5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.475 11.345 -5.722 1.00 0.00 H new ATOM 0 HD12 ILE A 122 8.165 9.711 -5.582 1.00 0.00 H new ATOM 0 HD13 ILE A 122 6.670 9.968 -6.512 1.00 0.00 H new ATOM 1819 N ILE A 123 5.599 5.971 -6.030 1.00 0.00 N ATOM 1820 CA ILE A 123 5.605 4.516 -6.106 1.00 0.00 C ATOM 1821 C ILE A 123 6.994 3.966 -5.791 1.00 0.00 C ATOM 1822 O ILE A 123 8.006 4.618 -6.057 1.00 0.00 O ATOM 1823 CB ILE A 123 5.134 4.046 -7.505 1.00 0.00 C ATOM 1824 CG1 ILE A 123 3.647 4.343 -7.650 1.00 0.00 C ATOM 1825 CG2 ILE A 123 5.402 2.559 -7.721 1.00 0.00 C ATOM 1826 CD1 ILE A 123 3.178 4.457 -9.080 1.00 0.00 C ATOM 0 H ILE A 123 6.230 6.424 -6.692 1.00 0.00 H new ATOM 0 HA ILE A 123 4.910 4.129 -5.361 1.00 0.00 H new ATOM 0 HB ILE A 123 5.699 4.588 -8.263 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.080 3.555 -7.155 1.00 0.00 H new ATOM 0 HG13 ILE A 123 3.421 5.274 -7.129 1.00 0.00 H new ATOM 0 HG21 ILE A 123 5.058 2.268 -8.713 1.00 0.00 H new ATOM 0 HG22 ILE A 123 6.471 2.366 -7.637 1.00 0.00 H new ATOM 0 HG23 ILE A 123 4.868 1.980 -6.967 1.00 0.00 H new ATOM 0 HD11 ILE A 123 2.109 4.669 -9.096 1.00 0.00 H new ATOM 0 HD12 ILE A 123 3.716 5.265 -9.576 1.00 0.00 H new ATOM 0 HD13 ILE A 123 3.370 3.519 -9.602 1.00 0.00 H new ATOM 1838 N HIS A 124 7.037 2.796 -5.163 1.00 0.00 N ATOM 1839 CA HIS A 124 8.299 2.116 -4.901 1.00 0.00 C ATOM 1840 C HIS A 124 8.176 0.649 -5.281 1.00 0.00 C ATOM 1841 O HIS A 124 7.383 -0.084 -4.694 1.00 0.00 O ATOM 1842 CB HIS A 124 8.721 2.200 -3.426 1.00 0.00 C ATOM 1843 CG HIS A 124 8.282 3.436 -2.690 1.00 0.00 C ATOM 1844 ND1 HIS A 124 7.405 3.395 -1.630 1.00 0.00 N ATOM 1845 CD2 HIS A 124 8.622 4.741 -2.840 1.00 0.00 C ATOM 1846 CE1 HIS A 124 7.224 4.614 -1.160 1.00 0.00 C ATOM 1847 NE2 HIS A 124 7.949 5.452 -1.874 1.00 0.00 N ATOM 0 H HIS A 124 6.212 2.299 -4.826 1.00 0.00 H new ATOM 0 HA HIS A 124 9.059 2.617 -5.500 1.00 0.00 H new ATOM 0 HB2 HIS A 124 8.325 1.329 -2.904 1.00 0.00 H new ATOM 0 HB3 HIS A 124 9.808 2.136 -3.374 1.00 0.00 H new ATOM 0 HD1 HIS A 124 6.963 2.552 -1.264 1.00 0.00 H new ATOM 0 HD2 HIS A 124 9.296 5.146 -3.580 1.00 0.00 H new ATOM 0 HE1 HIS A 124 6.588 4.881 -0.329 1.00 0.00 H new ATOM 0 HE2 HIS A 124 8.002 6.461 -1.733 1.00 0.00 H new ATOM 1856 N VAL A 125 8.955 0.237 -6.262 1.00 0.00 N ATOM 1857 CA VAL A 125 8.961 -1.144 -6.728 1.00 0.00 C ATOM 1858 C VAL A 125 9.824 -2.007 -5.812 1.00 0.00 C ATOM 1859 O VAL A 125 10.973 -1.669 -5.564 1.00 0.00 O ATOM 1860 CB VAL A 125 9.509 -1.220 -8.171 1.00 0.00 C ATOM 1861 CG1 VAL A 125 9.583 -2.657 -8.661 1.00 0.00 C ATOM 1862 CG2 VAL A 125 8.662 -0.372 -9.105 1.00 0.00 C ATOM 0 H VAL A 125 9.603 0.847 -6.761 1.00 0.00 H new ATOM 0 HA VAL A 125 7.937 -1.516 -6.713 1.00 0.00 H new ATOM 0 HB VAL A 125 10.524 -0.823 -8.167 1.00 0.00 H new ATOM 0 HG11 VAL A 125 9.972 -2.675 -9.679 1.00 0.00 H new ATOM 0 HG12 VAL A 125 10.243 -3.230 -8.010 1.00 0.00 H new ATOM 0 HG13 VAL A 125 8.586 -3.098 -8.646 1.00 0.00 H new ATOM 0 HG21 VAL A 125 9.061 -0.436 -10.117 1.00 0.00 H new ATOM 0 HG22 VAL A 125 7.635 -0.736 -9.096 1.00 0.00 H new ATOM 0 HG23 VAL A 125 8.682 0.666 -8.772 1.00 0.00 H new ATOM 1872 N ILE A 126 9.279 -3.117 -5.317 1.00 0.00 N ATOM 1873 CA ILE A 126 10.010 -3.977 -4.397 1.00 0.00 C ATOM 1874 C ILE A 126 10.044 -5.405 -4.909 1.00 0.00 C ATOM 1875 O ILE A 126 9.242 -5.804 -5.750 1.00 0.00 O ATOM 1876 CB ILE A 126 9.433 -3.971 -2.964 1.00 0.00 C ATOM 1877 CG1 ILE A 126 8.062 -4.660 -2.903 1.00 0.00 C ATOM 1878 CG2 ILE A 126 9.356 -2.550 -2.435 1.00 0.00 C ATOM 1879 CD1 ILE A 126 6.878 -3.722 -3.013 1.00 0.00 C ATOM 0 H ILE A 126 8.337 -3.439 -5.539 1.00 0.00 H new ATOM 0 HA ILE A 126 11.019 -3.567 -4.348 1.00 0.00 H new ATOM 0 HB ILE A 126 10.107 -4.543 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 126 8.003 -5.394 -3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 126 7.988 -5.209 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 126 8.948 -2.560 -1.424 1.00 0.00 H new ATOM 0 HG22 ILE A 126 10.355 -2.113 -2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 126 8.710 -1.956 -3.081 1.00 0.00 H new ATOM 0 HD11 ILE A 126 5.953 -4.296 -2.960 1.00 0.00 H new ATOM 0 HD12 ILE A 126 6.906 -3.003 -2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 126 6.922 -3.191 -3.964 1.00 0.00 H new ATOM 1891 N ASP A 127 10.986 -6.166 -4.393 1.00 0.00 N ATOM 1892 CA ASP A 127 11.256 -7.502 -4.872 1.00 0.00 C ATOM 1893 C ASP A 127 10.590 -8.560 -4.007 1.00 0.00 C ATOM 1894 O ASP A 127 10.828 -9.754 -4.177 1.00 0.00 O ATOM 1895 CB ASP A 127 12.767 -7.722 -4.884 1.00 0.00 C ATOM 1896 CG ASP A 127 13.297 -8.239 -3.557 1.00 0.00 C ATOM 1897 OD1 ASP A 127 12.996 -7.625 -2.514 1.00 0.00 O ATOM 1898 OD2 ASP A 127 13.997 -9.272 -3.551 1.00 0.00 O1- ATOM 0 H ASP A 127 11.589 -5.872 -3.625 1.00 0.00 H new ATOM 0 HA ASP A 127 10.845 -7.597 -5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 127 13.020 -8.431 -5.672 1.00 0.00 H new ATOM 0 HB3 ASP A 127 13.264 -6.783 -5.128 1.00 0.00 H new ATOM 1903 N THR A 128 9.740 -8.130 -3.100 1.00 0.00 N ATOM 1904 CA THR A 128 9.146 -9.038 -2.149 1.00 0.00 C ATOM 1905 C THR A 128 7.731 -8.613 -1.787 1.00 0.00 C ATOM 1906 O THR A 128 7.478 -7.454 -1.459 1.00 0.00 O ATOM 1907 CB THR A 128 9.995 -9.129 -0.872 1.00 0.00 C ATOM 1908 OG1 THR A 128 11.236 -9.794 -1.143 1.00 0.00 O ATOM 1909 CG2 THR A 128 9.247 -9.846 0.236 1.00 0.00 C ATOM 0 H THR A 128 9.446 -7.158 -3.003 1.00 0.00 H new ATOM 0 HA THR A 128 9.107 -10.019 -2.623 1.00 0.00 H new ATOM 0 HB THR A 128 10.204 -8.113 -0.536 1.00 0.00 H new ATOM 0 HG1 THR A 128 11.874 -9.154 -1.523 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.874 -9.894 1.126 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.330 -9.303 0.467 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.998 -10.857 -0.088 1.00 0.00 H new ATOM 1917 N VAL A 129 6.821 -9.558 -1.886 1.00 0.00 N ATOM 1918 CA VAL A 129 5.464 -9.383 -1.435 1.00 0.00 C ATOM 1919 C VAL A 129 5.407 -9.534 0.085 1.00 0.00 C ATOM 1920 O VAL A 129 5.113 -8.535 0.786 1.00 0.00 O ATOM 1921 CB VAL A 129 4.554 -10.425 -2.117 1.00 0.00 C ATOM 1922 CG1 VAL A 129 3.146 -10.357 -1.591 1.00 0.00 C ATOM 1923 CG2 VAL A 129 4.571 -10.219 -3.624 1.00 0.00 C ATOM 0 H VAL A 129 7.008 -10.477 -2.286 1.00 0.00 H new ATOM 0 HA VAL A 129 5.114 -8.386 -1.701 1.00 0.00 H new ATOM 0 HB VAL A 129 4.942 -11.417 -1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.533 -11.105 -2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.148 -10.551 -0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 129 2.735 -9.365 -1.779 1.00 0.00 H new ATOM 0 HG21 VAL A 129 3.926 -10.958 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 129 4.210 -9.218 -3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 129 5.589 -10.333 -3.995 1.00 0.00 H new