USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 562 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 31 ASN :FLIP amide:sc= -7.98! C(o=-16!,f=-11!) USER MOD Set 1.2: A 45 CYS SG : rot 111:sc= -3.74! USER MOD Set 1.3: A 62 THR OG1 : rot -140:sc= 1.08 USER MOD Set 2.1: A 24 GLN : amide:sc= -0.536 K(o=0.092,f=-11!) USER MOD Set 2.2: A 61 TYR OH : rot -98:sc= 0.628! USER MOD Set 3.1: A 5 LYS NZ :NH3+ -145:sc= 0.0931 (180deg=0) USER MOD Set 3.2: A 21 ASN : amide:sc= 0.0916 K(o=0.18,f=-1.2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -3.48! C(o=-3.5!,f=-10!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.541! USER MOD Single : A 35 SER OG : rot -97:sc= -0.97 USER MOD Single : A 36 LYS NZ :NH3+ -166:sc= -0.301 (180deg=-0.874) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN :FLIP amide:sc= -0.282 F(o=-1,f=-0.28) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 66 ASN : amide:sc= -0.196 K(o=-0.2,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.239 -2.241 -15.817 1.00 0.00 N ATOM 2 CA MET A 1 12.788 -3.625 -15.715 1.00 0.00 C ATOM 3 C MET A 1 12.682 -4.130 -14.275 1.00 0.00 C ATOM 4 O MET A 1 11.897 -5.007 -13.970 1.00 0.00 O ATOM 5 CB MET A 1 14.254 -3.501 -16.133 1.00 0.00 C ATOM 6 CG MET A 1 14.562 -4.533 -17.218 1.00 0.00 C ATOM 7 SD MET A 1 16.187 -4.188 -17.935 1.00 0.00 S ATOM 8 CE MET A 1 15.952 -5.098 -19.482 1.00 0.00 C ATOM 0 H1 MET A 1 12.316 -1.908 -16.799 1.00 0.00 H new ATOM 0 H2 MET A 1 11.240 -2.242 -15.529 1.00 0.00 H new ATOM 0 H3 MET A 1 12.778 -1.607 -15.193 1.00 0.00 H new ATOM 0 HA MET A 1 12.244 -4.333 -16.341 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.454 -2.496 -16.504 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.904 -3.658 -15.272 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.545 -5.537 -16.795 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.796 -4.501 -17.993 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.852 -5.018 -20.092 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.756 -6.147 -19.261 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.106 -4.678 -20.026 1.00 0.00 H new ATOM 20 N VAL A 2 13.462 -3.583 -13.383 1.00 0.00 N ATOM 21 CA VAL A 2 13.402 -4.031 -11.963 1.00 0.00 C ATOM 22 C VAL A 2 12.076 -3.602 -11.330 1.00 0.00 C ATOM 23 O VAL A 2 11.721 -4.038 -10.254 1.00 0.00 O ATOM 24 CB VAL A 2 14.574 -3.329 -11.277 1.00 0.00 C ATOM 25 CG1 VAL A 2 14.399 -1.814 -11.390 1.00 0.00 C ATOM 26 CG2 VAL A 2 14.613 -3.728 -9.800 1.00 0.00 C ATOM 0 H VAL A 2 14.139 -2.845 -13.577 1.00 0.00 H new ATOM 0 HA VAL A 2 13.464 -5.115 -11.869 1.00 0.00 H new ATOM 0 HB VAL A 2 15.506 -3.624 -11.759 1.00 0.00 H new ATOM 0 HG11 VAL A 2 15.235 -1.314 -10.901 1.00 0.00 H new ATOM 0 HG12 VAL A 2 14.370 -1.528 -12.442 1.00 0.00 H new ATOM 0 HG13 VAL A 2 13.467 -1.518 -10.908 1.00 0.00 H new ATOM 0 HG21 VAL A 2 15.448 -3.228 -9.310 1.00 0.00 H new ATOM 0 HG22 VAL A 2 13.681 -3.433 -9.319 1.00 0.00 H new ATOM 0 HG23 VAL A 2 14.738 -4.808 -9.718 1.00 0.00 H new ATOM 36 N ASP A 3 11.342 -2.749 -11.992 1.00 0.00 N ATOM 37 CA ASP A 3 10.040 -2.292 -11.430 1.00 0.00 C ATOM 38 C ASP A 3 9.232 -3.486 -10.917 1.00 0.00 C ATOM 39 O ASP A 3 9.209 -4.538 -11.524 1.00 0.00 O ATOM 40 CB ASP A 3 9.319 -1.624 -12.600 1.00 0.00 C ATOM 41 CG ASP A 3 7.910 -1.217 -12.166 1.00 0.00 C ATOM 42 OD1 ASP A 3 7.696 -1.080 -10.973 1.00 0.00 O ATOM 43 OD2 ASP A 3 7.070 -1.049 -13.034 1.00 0.00 O ATOM 0 H ASP A 3 11.588 -2.349 -12.898 1.00 0.00 H new ATOM 0 HA ASP A 3 10.172 -1.614 -10.587 1.00 0.00 H new ATOM 0 HB2 ASP A 3 9.876 -0.748 -12.932 1.00 0.00 H new ATOM 0 HB3 ASP A 3 9.267 -2.308 -13.447 1.00 0.00 H new ATOM 48 N SER A 4 8.566 -3.331 -9.806 1.00 0.00 N ATOM 49 CA SER A 4 7.757 -4.457 -9.257 1.00 0.00 C ATOM 50 C SER A 4 8.670 -5.609 -8.827 1.00 0.00 C ATOM 51 O SER A 4 9.282 -6.267 -9.645 1.00 0.00 O ATOM 52 CB SER A 4 6.857 -4.895 -10.411 1.00 0.00 C ATOM 53 OG SER A 4 5.584 -5.271 -9.901 1.00 0.00 O ATOM 0 H SER A 4 8.547 -2.473 -9.254 1.00 0.00 H new ATOM 0 HA SER A 4 7.184 -4.161 -8.378 1.00 0.00 H new ATOM 0 HB2 SER A 4 6.748 -4.083 -11.130 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.310 -5.732 -10.942 1.00 0.00 H new ATOM 0 HG SER A 4 5.005 -5.551 -10.641 1.00 0.00 H new ATOM 59 N LYS A 5 8.765 -5.858 -7.549 1.00 0.00 N ATOM 60 CA LYS A 5 9.634 -6.971 -7.070 1.00 0.00 C ATOM 61 C LYS A 5 8.938 -8.317 -7.283 1.00 0.00 C ATOM 62 O LYS A 5 9.397 -9.154 -8.033 1.00 0.00 O ATOM 63 CB LYS A 5 9.834 -6.700 -5.578 1.00 0.00 C ATOM 64 CG LYS A 5 10.519 -5.345 -5.391 1.00 0.00 C ATOM 65 CD LYS A 5 11.628 -5.473 -4.343 1.00 0.00 C ATOM 66 CE LYS A 5 12.963 -5.739 -5.042 1.00 0.00 C ATOM 67 NZ LYS A 5 13.542 -4.389 -5.287 1.00 0.00 N ATOM 0 H LYS A 5 8.279 -5.340 -6.817 1.00 0.00 H new ATOM 0 HA LYS A 5 10.581 -7.017 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.873 -6.707 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.439 -7.490 -5.132 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.937 -5.003 -6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.791 -4.598 -5.076 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.691 -4.560 -3.751 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.399 -6.285 -3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 5 13.622 -6.344 -4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.819 -6.283 -5.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 14.061 -4.392 -6.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.777 -3.686 -5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 14.193 -4.145 -4.513 1.00 0.00 H new ATOM 81 N LYS A 6 7.830 -8.532 -6.626 1.00 0.00 N ATOM 82 CA LYS A 6 7.102 -9.822 -6.791 1.00 0.00 C ATOM 83 C LYS A 6 5.802 -9.804 -5.982 1.00 0.00 C ATOM 84 O LYS A 6 5.008 -8.892 -6.097 1.00 0.00 O ATOM 85 CB LYS A 6 8.061 -10.884 -6.253 1.00 0.00 C ATOM 86 CG LYS A 6 7.757 -12.228 -6.916 1.00 0.00 C ATOM 87 CD LYS A 6 9.070 -12.945 -7.236 1.00 0.00 C ATOM 88 CE LYS A 6 9.464 -12.666 -8.689 1.00 0.00 C ATOM 89 NZ LYS A 6 10.515 -13.673 -9.001 1.00 0.00 N ATOM 0 H LYS A 6 7.398 -7.869 -5.982 1.00 0.00 H new ATOM 0 HA LYS A 6 6.823 -10.013 -7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.092 -10.593 -6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.957 -10.968 -5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.146 -12.842 -6.255 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.182 -12.074 -7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.856 -12.604 -6.563 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.959 -14.018 -7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.609 -12.768 -9.357 1.00 0.00 H new ATOM 0 HE3 LYS A 6 9.842 -11.651 -8.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.837 -13.546 -9.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.319 -13.547 -8.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.124 -14.630 -8.886 1.00 0.00 H new ATOM 103 N ARG A 7 5.563 -10.809 -5.176 1.00 0.00 N ATOM 104 CA ARG A 7 4.300 -10.828 -4.392 1.00 0.00 C ATOM 105 C ARG A 7 3.114 -10.899 -5.359 1.00 0.00 C ATOM 106 O ARG A 7 3.306 -11.096 -6.542 1.00 0.00 O ATOM 107 CB ARG A 7 4.311 -9.504 -3.627 1.00 0.00 C ATOM 108 CG ARG A 7 4.287 -9.783 -2.122 1.00 0.00 C ATOM 109 CD ARG A 7 5.532 -10.583 -1.734 1.00 0.00 C ATOM 110 NE ARG A 7 6.359 -9.642 -0.931 1.00 0.00 N ATOM 111 CZ ARG A 7 7.601 -9.935 -0.656 1.00 0.00 C ATOM 112 NH1 ARG A 7 7.885 -11.017 0.015 1.00 0.00 N ATOM 113 NH2 ARG A 7 8.561 -9.147 -1.057 1.00 0.00 N ATOM 0 H ARG A 7 6.183 -11.606 -5.031 1.00 0.00 H new ATOM 0 HA ARG A 7 4.215 -11.680 -3.718 1.00 0.00 H new ATOM 0 HB2 ARG A 7 5.200 -8.929 -3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 7 3.448 -8.901 -3.910 1.00 0.00 H new ATOM 0 HG2 ARG A 7 4.256 -8.845 -1.567 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.387 -10.339 -1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 7 5.268 -11.469 -1.156 1.00 0.00 H new ATOM 0 HD3 ARG A 7 6.071 -10.928 -2.617 1.00 0.00 H new ATOM 0 HE ARG A 7 5.955 -8.768 -0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 7 7.136 -11.636 0.326 1.00 0.00 H new ATOM 0 HH12 ARG A 7 8.856 -11.244 0.229 1.00 0.00 H new ATOM 0 HH21 ARG A 7 8.341 -8.303 -1.585 1.00 0.00 H new ATOM 0 HH22 ARG A 7 9.532 -9.376 -0.842 1.00 0.00 H new ATOM 127 N PRO A 8 1.921 -10.728 -4.842 1.00 0.00 N ATOM 128 CA PRO A 8 0.730 -10.768 -5.713 1.00 0.00 C ATOM 129 C PRO A 8 0.721 -9.550 -6.642 1.00 0.00 C ATOM 130 O PRO A 8 -0.223 -8.784 -6.675 1.00 0.00 O ATOM 131 CB PRO A 8 -0.442 -10.735 -4.736 1.00 0.00 C ATOM 132 CG PRO A 8 0.110 -10.111 -3.492 1.00 0.00 C ATOM 133 CD PRO A 8 1.574 -10.478 -3.436 1.00 0.00 C ATOM 0 HA PRO A 8 0.696 -11.644 -6.361 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.272 -10.153 -5.135 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.821 -11.738 -4.540 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.017 -9.029 -3.513 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -0.415 -10.477 -2.610 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.173 -9.672 -3.012 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.743 -11.360 -2.818 1.00 0.00 H new ATOM 141 N GLY A 9 1.775 -9.369 -7.397 1.00 0.00 N ATOM 142 CA GLY A 9 1.846 -8.206 -8.324 1.00 0.00 C ATOM 143 C GLY A 9 0.551 -8.119 -9.133 1.00 0.00 C ATOM 144 O GLY A 9 -0.001 -7.054 -9.326 1.00 0.00 O ATOM 0 H GLY A 9 2.591 -9.981 -7.409 1.00 0.00 H new ATOM 0 HA2 GLY A 9 1.997 -7.286 -7.759 1.00 0.00 H new ATOM 0 HA3 GLY A 9 2.699 -8.313 -8.994 1.00 0.00 H new ATOM 148 N LYS A 10 0.058 -9.231 -9.605 1.00 0.00 N ATOM 149 CA LYS A 10 -1.205 -9.211 -10.398 1.00 0.00 C ATOM 150 C LYS A 10 -2.412 -9.380 -9.470 1.00 0.00 C ATOM 151 O LYS A 10 -3.408 -9.973 -9.834 1.00 0.00 O ATOM 152 CB LYS A 10 -1.092 -10.400 -11.351 1.00 0.00 C ATOM 153 CG LYS A 10 -1.149 -11.703 -10.553 1.00 0.00 C ATOM 154 CD LYS A 10 0.138 -12.496 -10.779 1.00 0.00 C ATOM 155 CE LYS A 10 0.192 -12.977 -12.231 1.00 0.00 C ATOM 156 NZ LYS A 10 -0.274 -14.390 -12.185 1.00 0.00 N ATOM 0 H LYS A 10 0.475 -10.153 -9.476 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.343 -8.272 -10.933 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.901 -10.373 -12.081 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -0.158 -10.344 -11.909 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.274 -11.487 -9.492 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.012 -12.294 -10.862 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.005 -11.873 -10.558 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.177 -13.348 -10.101 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.448 -12.371 -12.872 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.203 -12.907 -12.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.265 -14.790 -13.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.358 -14.944 -11.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.241 -14.424 -11.805 1.00 0.00 H new ATOM 170 N ASP A 11 -2.330 -8.862 -8.276 1.00 0.00 N ATOM 171 CA ASP A 11 -3.472 -8.990 -7.325 1.00 0.00 C ATOM 172 C ASP A 11 -3.379 -7.921 -6.241 1.00 0.00 C ATOM 173 O ASP A 11 -3.244 -8.219 -5.073 1.00 0.00 O ATOM 174 CB ASP A 11 -3.329 -10.386 -6.719 1.00 0.00 C ATOM 175 CG ASP A 11 -4.433 -11.294 -7.263 1.00 0.00 C ATOM 176 OD1 ASP A 11 -5.525 -10.798 -7.486 1.00 0.00 O ATOM 177 OD2 ASP A 11 -4.168 -12.471 -7.450 1.00 0.00 O ATOM 0 H ASP A 11 -1.521 -8.355 -7.916 1.00 0.00 H new ATOM 0 HA ASP A 11 -4.436 -8.857 -7.817 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.350 -10.801 -6.961 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.392 -10.330 -5.632 1.00 0.00 H new ATOM 182 N LEU A 12 -3.452 -6.677 -6.622 1.00 0.00 N ATOM 183 CA LEU A 12 -3.368 -5.584 -5.620 1.00 0.00 C ATOM 184 C LEU A 12 -3.365 -4.224 -6.320 1.00 0.00 C ATOM 185 O LEU A 12 -3.464 -4.137 -7.527 1.00 0.00 O ATOM 186 CB LEU A 12 -2.048 -5.821 -4.901 1.00 0.00 C ATOM 187 CG LEU A 12 -0.935 -5.966 -5.929 1.00 0.00 C ATOM 188 CD1 LEU A 12 -0.510 -4.583 -6.423 1.00 0.00 C ATOM 189 CD2 LEU A 12 0.263 -6.673 -5.287 1.00 0.00 C ATOM 0 H LEU A 12 -3.567 -6.371 -7.588 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.214 -5.581 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.832 -4.990 -4.229 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.111 -6.719 -4.287 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.295 -6.555 -6.773 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.287 -4.689 -7.159 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.363 -4.082 -6.881 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.151 -3.991 -5.582 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.061 -6.777 -6.022 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.623 -6.085 -4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.041 -7.660 -4.939 1.00 0.00 H new ATOM 201 N ASP A 13 -3.253 -3.160 -5.574 1.00 0.00 N ATOM 202 CA ASP A 13 -3.245 -1.809 -6.204 1.00 0.00 C ATOM 203 C ASP A 13 -1.812 -1.330 -6.412 1.00 0.00 C ATOM 204 O ASP A 13 -0.885 -1.829 -5.807 1.00 0.00 O ATOM 205 CB ASP A 13 -3.974 -0.904 -5.212 1.00 0.00 C ATOM 206 CG ASP A 13 -4.900 0.045 -5.973 1.00 0.00 C ATOM 207 OD1 ASP A 13 -4.596 0.348 -7.115 1.00 0.00 O ATOM 208 OD2 ASP A 13 -5.898 0.453 -5.401 1.00 0.00 O ATOM 0 H ASP A 13 -3.167 -3.167 -4.558 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.723 -1.809 -7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.550 -1.506 -4.510 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.253 -0.334 -4.626 1.00 0.00 H new ATOM 213 N ARG A 14 -1.622 -0.368 -7.270 1.00 0.00 N ATOM 214 CA ARG A 14 -0.247 0.139 -7.525 1.00 0.00 C ATOM 215 C ARG A 14 0.392 0.620 -6.221 1.00 0.00 C ATOM 216 O ARG A 14 1.598 0.665 -6.090 1.00 0.00 O ATOM 217 CB ARG A 14 -0.431 1.307 -8.494 1.00 0.00 C ATOM 218 CG ARG A 14 0.918 1.988 -8.733 1.00 0.00 C ATOM 219 CD ARG A 14 1.544 1.441 -10.016 1.00 0.00 C ATOM 220 NE ARG A 14 1.310 2.501 -11.036 1.00 0.00 N ATOM 221 CZ ARG A 14 1.536 2.255 -12.297 1.00 0.00 C ATOM 222 NH1 ARG A 14 2.756 2.059 -12.716 1.00 0.00 N ATOM 223 NH2 ARG A 14 0.540 2.204 -13.140 1.00 0.00 N ATOM 0 H ARG A 14 -2.360 0.089 -7.806 1.00 0.00 H new ATOM 0 HA ARG A 14 0.408 -0.631 -7.932 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.842 0.949 -9.438 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.145 2.023 -8.086 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.784 3.067 -8.812 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.582 1.811 -7.887 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.608 1.246 -9.885 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.082 0.499 -10.311 1.00 0.00 H new ATOM 0 HE ARG A 14 0.973 3.420 -10.748 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.534 2.098 -12.057 1.00 0.00 H new ATOM 0 HH12 ARG A 14 2.932 1.867 -13.702 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -0.414 2.356 -12.812 1.00 0.00 H new ATOM 0 HH22 ARG A 14 0.716 2.012 -14.126 1.00 0.00 H new ATOM 237 N ILE A 15 -0.407 0.984 -5.255 1.00 0.00 N ATOM 238 CA ILE A 15 0.157 1.466 -3.961 1.00 0.00 C ATOM 239 C ILE A 15 0.709 0.298 -3.150 1.00 0.00 C ATOM 240 O ILE A 15 1.682 0.432 -2.436 1.00 0.00 O ATOM 241 CB ILE A 15 -1.017 2.113 -3.230 1.00 0.00 C ATOM 242 CG1 ILE A 15 -1.821 2.978 -4.208 1.00 0.00 C ATOM 243 CG2 ILE A 15 -0.481 2.987 -2.100 1.00 0.00 C ATOM 244 CD1 ILE A 15 -0.864 3.758 -5.114 1.00 0.00 C ATOM 0 H ILE A 15 -1.426 0.969 -5.305 1.00 0.00 H new ATOM 0 HA ILE A 15 0.981 2.164 -4.111 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.665 1.338 -2.821 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.476 2.349 -4.811 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.460 3.669 -3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.314 3.452 -1.573 1.00 0.00 H new ATOM 0 HG22 ILE A 15 0.090 2.372 -1.404 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.165 3.762 -2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.439 4.372 -5.808 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.227 4.399 -4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.244 3.059 -5.676 1.00 0.00 H new ATOM 256 N ASP A 16 0.096 -0.844 -3.245 1.00 0.00 N ATOM 257 CA ASP A 16 0.588 -2.012 -2.470 1.00 0.00 C ATOM 258 C ASP A 16 1.905 -2.527 -3.056 1.00 0.00 C ATOM 259 O ASP A 16 2.920 -2.564 -2.388 1.00 0.00 O ATOM 260 CB ASP A 16 -0.512 -3.068 -2.604 1.00 0.00 C ATOM 261 CG ASP A 16 -1.874 -2.420 -2.349 1.00 0.00 C ATOM 262 OD1 ASP A 16 -2.469 -1.942 -3.302 1.00 0.00 O ATOM 263 OD2 ASP A 16 -2.300 -2.412 -1.206 1.00 0.00 O ATOM 0 H ASP A 16 -0.724 -1.020 -3.825 1.00 0.00 H new ATOM 0 HA ASP A 16 0.787 -1.760 -1.428 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.488 -3.509 -3.600 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.343 -3.877 -1.893 1.00 0.00 H new ATOM 268 N ARG A 17 1.900 -2.933 -4.297 1.00 0.00 N ATOM 269 CA ARG A 17 3.156 -3.453 -4.913 1.00 0.00 C ATOM 270 C ARG A 17 4.277 -2.426 -4.791 1.00 0.00 C ATOM 271 O ARG A 17 5.394 -2.753 -4.444 1.00 0.00 O ATOM 272 CB ARG A 17 2.814 -3.709 -6.385 1.00 0.00 C ATOM 273 CG ARG A 17 1.983 -2.547 -6.939 1.00 0.00 C ATOM 274 CD ARG A 17 2.763 -1.848 -8.055 1.00 0.00 C ATOM 275 NE ARG A 17 2.589 -2.721 -9.249 1.00 0.00 N ATOM 276 CZ ARG A 17 2.488 -2.191 -10.438 1.00 0.00 C ATOM 277 NH1 ARG A 17 3.294 -1.228 -10.792 1.00 0.00 N ATOM 278 NH2 ARG A 17 1.583 -2.626 -11.271 1.00 0.00 N ATOM 0 H ARG A 17 1.084 -2.928 -4.909 1.00 0.00 H new ATOM 0 HA ARG A 17 3.505 -4.359 -4.417 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.730 -3.821 -6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.259 -4.642 -6.481 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.032 -2.916 -7.322 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.753 -1.839 -6.143 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.377 -0.846 -8.239 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.816 -1.741 -7.794 1.00 0.00 H new ATOM 0 HE ARG A 17 2.549 -3.734 -9.138 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.002 -0.890 -10.140 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.216 -0.813 -11.721 1.00 0.00 H new ATOM 0 HH21 ARG A 17 0.955 -3.380 -10.993 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.504 -2.212 -12.200 1.00 0.00 H new ATOM 292 N ASN A 18 3.990 -1.188 -5.050 1.00 0.00 N ATOM 293 CA ASN A 18 5.043 -0.148 -4.923 1.00 0.00 C ATOM 294 C ASN A 18 5.469 -0.040 -3.467 1.00 0.00 C ATOM 295 O ASN A 18 6.632 0.125 -3.160 1.00 0.00 O ATOM 296 CB ASN A 18 4.387 1.152 -5.393 1.00 0.00 C ATOM 297 CG ASN A 18 4.508 1.264 -6.914 1.00 0.00 C ATOM 298 OD1 ASN A 18 4.216 0.325 -7.630 1.00 0.00 O ATOM 299 ND2 ASN A 18 4.931 2.380 -7.444 1.00 0.00 N ATOM 0 H ASN A 18 3.074 -0.849 -5.344 1.00 0.00 H new ATOM 0 HA ASN A 18 5.933 -0.377 -5.509 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.338 1.169 -5.099 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.866 2.007 -4.916 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.016 2.463 -8.457 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.176 3.168 -6.845 1.00 0.00 H new ATOM 306 N ILE A 19 4.540 -0.165 -2.563 1.00 0.00 N ATOM 307 CA ILE A 19 4.896 -0.106 -1.126 1.00 0.00 C ATOM 308 C ILE A 19 5.824 -1.271 -0.786 1.00 0.00 C ATOM 309 O ILE A 19 6.772 -1.127 -0.041 1.00 0.00 O ATOM 310 CB ILE A 19 3.568 -0.231 -0.378 1.00 0.00 C ATOM 311 CG1 ILE A 19 2.921 1.151 -0.256 1.00 0.00 C ATOM 312 CG2 ILE A 19 3.815 -0.800 1.019 1.00 0.00 C ATOM 313 CD1 ILE A 19 1.496 1.002 0.281 1.00 0.00 C ATOM 0 H ILE A 19 3.549 -0.306 -2.761 1.00 0.00 H new ATOM 0 HA ILE A 19 5.417 0.813 -0.858 1.00 0.00 H new ATOM 0 HB ILE A 19 2.905 -0.899 -0.928 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.508 1.782 0.411 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.905 1.644 -1.228 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.867 -0.888 1.549 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.276 -1.784 0.935 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.479 -0.134 1.571 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.035 1.986 0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.912 0.387 -0.403 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.525 0.527 1.262 1.00 0.00 H new ATOM 325 N LEU A 20 5.573 -2.426 -1.351 1.00 0.00 N ATOM 326 CA LEU A 20 6.458 -3.588 -1.080 1.00 0.00 C ATOM 327 C LEU A 20 7.849 -3.306 -1.644 1.00 0.00 C ATOM 328 O LEU A 20 8.853 -3.588 -1.020 1.00 0.00 O ATOM 329 CB LEU A 20 5.811 -4.763 -1.810 1.00 0.00 C ATOM 330 CG LEU A 20 4.499 -5.135 -1.120 1.00 0.00 C ATOM 331 CD1 LEU A 20 3.781 -6.213 -1.934 1.00 0.00 C ATOM 332 CD2 LEU A 20 4.796 -5.668 0.284 1.00 0.00 C ATOM 0 H LEU A 20 4.795 -2.609 -1.985 1.00 0.00 H new ATOM 0 HA LEU A 20 6.570 -3.792 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.624 -4.499 -2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.487 -5.618 -1.814 1.00 0.00 H new ATOM 0 HG LEU A 20 3.863 -4.253 -1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.845 -6.478 -1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.570 -5.834 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.415 -7.096 -2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.861 -5.934 0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.432 -6.550 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.307 -4.900 0.864 1.00 0.00 H new ATOM 344 N ASN A 21 7.916 -2.727 -2.815 1.00 0.00 N ATOM 345 CA ASN A 21 9.242 -2.400 -3.405 1.00 0.00 C ATOM 346 C ASN A 21 9.957 -1.387 -2.514 1.00 0.00 C ATOM 347 O ASN A 21 11.161 -1.425 -2.354 1.00 0.00 O ATOM 348 CB ASN A 21 8.931 -1.791 -4.772 1.00 0.00 C ATOM 349 CG ASN A 21 10.234 -1.369 -5.452 1.00 0.00 C ATOM 350 OD1 ASN A 21 11.206 -2.100 -5.438 1.00 0.00 O ATOM 351 ND2 ASN A 21 10.299 -0.210 -6.050 1.00 0.00 N ATOM 0 H ASN A 21 7.110 -2.468 -3.385 1.00 0.00 H new ATOM 0 HA ASN A 21 9.890 -3.272 -3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 21 8.403 -2.515 -5.392 1.00 0.00 H new ATOM 0 HB3 ASN A 21 8.273 -0.930 -4.657 1.00 0.00 H new ATOM 0 HD21 ASN A 21 11.164 0.081 -6.505 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.484 0.404 -6.062 1.00 0.00 H new ATOM 358 N GLU A 22 9.218 -0.492 -1.914 1.00 0.00 N ATOM 359 CA GLU A 22 9.847 0.509 -1.012 1.00 0.00 C ATOM 360 C GLU A 22 10.271 -0.168 0.287 1.00 0.00 C ATOM 361 O GLU A 22 11.348 0.067 0.798 1.00 0.00 O ATOM 362 CB GLU A 22 8.757 1.548 -0.747 1.00 0.00 C ATOM 363 CG GLU A 22 8.377 2.233 -2.062 1.00 0.00 C ATOM 364 CD GLU A 22 9.534 3.114 -2.532 1.00 0.00 C ATOM 365 OE1 GLU A 22 10.525 3.186 -1.824 1.00 0.00 O ATOM 366 OE2 GLU A 22 9.411 3.703 -3.593 1.00 0.00 O ATOM 0 H GLU A 22 8.206 -0.413 -2.011 1.00 0.00 H new ATOM 0 HA GLU A 22 10.737 0.963 -1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.882 1.069 -0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 22 9.111 2.287 -0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.145 1.485 -2.820 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.480 2.836 -1.924 1.00 0.00 H new ATOM 373 N LEU A 23 9.446 -1.030 0.812 1.00 0.00 N ATOM 374 CA LEU A 23 9.822 -1.741 2.059 1.00 0.00 C ATOM 375 C LEU A 23 10.996 -2.672 1.775 1.00 0.00 C ATOM 376 O LEU A 23 11.837 -2.907 2.621 1.00 0.00 O ATOM 377 CB LEU A 23 8.581 -2.539 2.448 1.00 0.00 C ATOM 378 CG LEU A 23 7.566 -1.607 3.112 1.00 0.00 C ATOM 379 CD1 LEU A 23 6.224 -2.327 3.249 1.00 0.00 C ATOM 380 CD2 LEU A 23 8.076 -1.205 4.499 1.00 0.00 C ATOM 0 H LEU A 23 8.531 -1.271 0.431 1.00 0.00 H new ATOM 0 HA LEU A 23 10.129 -1.065 2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.142 -3.003 1.565 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.852 -3.345 3.130 1.00 0.00 H new ATOM 0 HG LEU A 23 7.436 -0.715 2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.501 -1.662 3.722 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.862 -2.613 2.261 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.351 -3.220 3.861 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.354 -0.541 4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 23 8.206 -2.097 5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 23 9.032 -0.691 4.400 1.00 0.00 H new ATOM 392 N GLN A 24 11.078 -3.183 0.575 1.00 0.00 N ATOM 393 CA GLN A 24 12.216 -4.072 0.220 1.00 0.00 C ATOM 394 C GLN A 24 13.515 -3.267 0.237 1.00 0.00 C ATOM 395 O GLN A 24 14.540 -3.734 0.693 1.00 0.00 O ATOM 396 CB GLN A 24 11.907 -4.570 -1.194 1.00 0.00 C ATOM 397 CG GLN A 24 12.909 -5.660 -1.583 1.00 0.00 C ATOM 398 CD GLN A 24 12.247 -7.032 -1.449 1.00 0.00 C ATOM 399 OE1 GLN A 24 11.193 -7.156 -0.858 1.00 0.00 O ATOM 400 NE2 GLN A 24 12.825 -8.075 -1.977 1.00 0.00 N ATOM 0 H GLN A 24 10.404 -3.021 -0.173 1.00 0.00 H new ATOM 0 HA GLN A 24 12.337 -4.900 0.918 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.891 -4.963 -1.239 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.960 -3.743 -1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.250 -5.507 -2.607 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.789 -5.605 -0.943 1.00 0.00 H new ATOM 0 HE21 GLN A 24 13.710 -7.971 -2.473 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.392 -8.995 -1.894 1.00 0.00 H new ATOM 409 N LYS A 25 13.472 -2.049 -0.236 1.00 0.00 N ATOM 410 CA LYS A 25 14.698 -1.202 -0.223 1.00 0.00 C ATOM 411 C LYS A 25 14.885 -0.591 1.159 1.00 0.00 C ATOM 412 O LYS A 25 15.964 -0.164 1.521 1.00 0.00 O ATOM 413 CB LYS A 25 14.438 -0.113 -1.263 1.00 0.00 C ATOM 414 CG LYS A 25 14.328 -0.750 -2.650 1.00 0.00 C ATOM 415 CD LYS A 25 14.315 0.348 -3.715 1.00 0.00 C ATOM 416 CE LYS A 25 13.135 1.288 -3.465 1.00 0.00 C ATOM 417 NZ LYS A 25 13.757 2.604 -3.145 1.00 0.00 N ATOM 0 H LYS A 25 12.642 -1.606 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 25 15.601 -1.768 -0.450 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.520 0.423 -1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.246 0.618 -1.250 1.00 0.00 H new ATOM 0 HG2 LYS A 25 15.166 -1.426 -2.819 1.00 0.00 H new ATOM 0 HG3 LYS A 25 13.419 -1.347 -2.717 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.251 0.907 -3.688 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.237 -0.095 -4.708 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.492 1.357 -4.342 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.514 0.933 -2.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.011 3.305 -2.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.358 2.508 -2.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.336 2.919 -3.949 1.00 0.00 H new ATOM 431 N ASP A 26 13.848 -0.564 1.943 1.00 0.00 N ATOM 432 CA ASP A 26 13.970 -0.001 3.309 1.00 0.00 C ATOM 433 C ASP A 26 13.154 -0.841 4.295 1.00 0.00 C ATOM 434 O ASP A 26 11.967 -0.642 4.461 1.00 0.00 O ATOM 435 CB ASP A 26 13.401 1.415 3.208 1.00 0.00 C ATOM 436 CG ASP A 26 14.529 2.398 2.889 1.00 0.00 C ATOM 437 OD1 ASP A 26 15.567 1.949 2.430 1.00 0.00 O ATOM 438 OD2 ASP A 26 14.336 3.582 3.106 1.00 0.00 O ATOM 0 H ASP A 26 12.920 -0.908 1.695 1.00 0.00 H new ATOM 0 HA ASP A 26 15.000 0.002 3.667 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.638 1.457 2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.918 1.692 4.145 1.00 0.00 H new ATOM 443 N GLY A 27 13.780 -1.785 4.944 1.00 0.00 N ATOM 444 CA GLY A 27 13.038 -2.644 5.912 1.00 0.00 C ATOM 445 C GLY A 27 12.932 -1.929 7.261 1.00 0.00 C ATOM 446 O GLY A 27 12.626 -2.531 8.270 1.00 0.00 O ATOM 0 H GLY A 27 14.773 -1.999 4.846 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.042 -2.865 5.528 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.551 -3.598 6.034 1.00 0.00 H new ATOM 450 N ARG A 28 13.178 -0.649 7.286 1.00 0.00 N ATOM 451 CA ARG A 28 13.085 0.102 8.570 1.00 0.00 C ATOM 452 C ARG A 28 12.231 1.360 8.385 1.00 0.00 C ATOM 453 O ARG A 28 12.535 2.412 8.911 1.00 0.00 O ATOM 454 CB ARG A 28 14.529 0.478 8.914 1.00 0.00 C ATOM 455 CG ARG A 28 15.060 1.477 7.883 1.00 0.00 C ATOM 456 CD ARG A 28 15.547 0.723 6.643 1.00 0.00 C ATOM 457 NE ARG A 28 16.979 1.107 6.501 1.00 0.00 N ATOM 458 CZ ARG A 28 17.890 0.185 6.350 1.00 0.00 C ATOM 459 NH1 ARG A 28 17.627 -0.883 5.647 1.00 0.00 N ATOM 460 NH2 ARG A 28 19.062 0.331 6.902 1.00 0.00 N ATOM 0 H ARG A 28 13.439 -0.090 6.474 1.00 0.00 H new ATOM 0 HA ARG A 28 12.618 -0.485 9.360 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.574 0.912 9.913 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.155 -0.414 8.926 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.276 2.183 7.608 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.876 2.059 8.312 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.437 -0.354 6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 28 14.973 1.003 5.759 1.00 0.00 H new ATOM 0 HE ARG A 28 17.248 2.091 6.522 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.710 -0.997 5.216 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.339 -1.604 5.529 1.00 0.00 H new ATOM 0 HH21 ARG A 28 19.266 1.166 7.452 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.774 -0.389 6.784 1.00 0.00 H new ATOM 474 N ILE A 29 11.165 1.257 7.638 1.00 0.00 N ATOM 475 CA ILE A 29 10.292 2.445 7.420 1.00 0.00 C ATOM 476 C ILE A 29 8.847 2.115 7.777 1.00 0.00 C ATOM 477 O ILE A 29 8.302 1.116 7.349 1.00 0.00 O ATOM 478 CB ILE A 29 10.419 2.764 5.929 1.00 0.00 C ATOM 479 CG1 ILE A 29 9.451 3.893 5.564 1.00 0.00 C ATOM 480 CG2 ILE A 29 10.077 1.520 5.105 1.00 0.00 C ATOM 481 CD1 ILE A 29 9.539 4.175 4.063 1.00 0.00 C ATOM 0 H ILE A 29 10.862 0.403 7.170 1.00 0.00 H new ATOM 0 HA ILE A 29 10.585 3.290 8.043 1.00 0.00 H new ATOM 0 HB ILE A 29 11.442 3.073 5.713 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.432 3.614 5.833 1.00 0.00 H new ATOM 0 HG13 ILE A 29 9.695 4.793 6.129 1.00 0.00 H new ATOM 0 HG21 ILE A 29 10.168 1.750 4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.764 0.713 5.362 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.055 1.209 5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.850 4.979 3.803 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.556 4.472 3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 29 9.274 3.275 3.508 1.00 0.00 H new ATOM 493 N SER A 30 8.223 2.947 8.558 1.00 0.00 N ATOM 494 CA SER A 30 6.812 2.687 8.947 1.00 0.00 C ATOM 495 C SER A 30 5.884 2.928 7.751 1.00 0.00 C ATOM 496 O SER A 30 6.153 2.493 6.649 1.00 0.00 O ATOM 497 CB SER A 30 6.524 3.692 10.062 1.00 0.00 C ATOM 498 OG SER A 30 6.237 4.960 9.490 1.00 0.00 O ATOM 0 H SER A 30 8.630 3.798 8.945 1.00 0.00 H new ATOM 0 HA SER A 30 6.651 1.659 9.272 1.00 0.00 H new ATOM 0 HB2 SER A 30 5.681 3.353 10.664 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.382 3.767 10.730 1.00 0.00 H new ATOM 0 HG SER A 30 6.050 5.606 10.203 1.00 0.00 H new ATOM 504 N ASN A 31 4.802 3.629 7.957 1.00 0.00 N ATOM 505 CA ASN A 31 3.869 3.909 6.828 1.00 0.00 C ATOM 506 C ASN A 31 3.882 5.399 6.500 1.00 0.00 C ATOM 507 O ASN A 31 3.711 5.793 5.368 1.00 0.00 O ATOM 508 CB ASN A 31 2.492 3.479 7.332 1.00 0.00 C ATOM 509 CG ASN A 31 2.208 2.045 6.880 1.00 0.00 C ATOM 510 OD1 ASN A 31 2.555 1.049 7.649 1.00 0.00 O flip ATOM 511 ND2 ASN A 31 1.662 1.827 5.816 1.00 0.00 N flip ATOM 0 H ASN A 31 4.524 4.020 8.857 1.00 0.00 H new ATOM 0 HA ASN A 31 4.148 3.379 5.917 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.455 3.543 8.419 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.726 4.152 6.947 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.390 2.604 5.214 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.476 0.867 5.526 1.00 0.00 H new ATOM 518 N VAL A 32 4.109 6.233 7.478 1.00 0.00 N ATOM 519 CA VAL A 32 4.161 7.694 7.199 1.00 0.00 C ATOM 520 C VAL A 32 5.103 7.947 6.024 1.00 0.00 C ATOM 521 O VAL A 32 4.687 8.374 4.964 1.00 0.00 O ATOM 522 CB VAL A 32 4.708 8.322 8.481 1.00 0.00 C ATOM 523 CG1 VAL A 32 5.078 9.783 8.220 1.00 0.00 C ATOM 524 CG2 VAL A 32 3.640 8.256 9.577 1.00 0.00 C ATOM 0 H VAL A 32 4.260 5.967 8.451 1.00 0.00 H new ATOM 0 HA VAL A 32 3.190 8.113 6.934 1.00 0.00 H new ATOM 0 HB VAL A 32 5.595 7.775 8.801 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.468 10.229 9.135 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.838 9.832 7.440 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.192 10.331 7.898 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.029 8.704 10.492 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.753 8.802 9.254 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.376 7.215 9.766 1.00 0.00 H new ATOM 534 N GLU A 33 6.362 7.640 6.182 1.00 0.00 N ATOM 535 CA GLU A 33 7.309 7.811 5.050 1.00 0.00 C ATOM 536 C GLU A 33 6.877 6.900 3.905 1.00 0.00 C ATOM 537 O GLU A 33 7.085 7.193 2.746 1.00 0.00 O ATOM 538 CB GLU A 33 8.671 7.380 5.597 1.00 0.00 C ATOM 539 CG GLU A 33 9.693 7.352 4.459 1.00 0.00 C ATOM 540 CD GLU A 33 10.316 8.741 4.301 1.00 0.00 C ATOM 541 OE1 GLU A 33 9.783 9.676 4.874 1.00 0.00 O ATOM 542 OE2 GLU A 33 11.315 8.844 3.609 1.00 0.00 O ATOM 0 H GLU A 33 6.772 7.280 7.044 1.00 0.00 H new ATOM 0 HA GLU A 33 7.340 8.832 4.671 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.997 8.070 6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.595 6.394 6.056 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.468 6.615 4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.211 7.050 3.529 1.00 0.00 H new ATOM 549 N LEU A 34 6.248 5.802 4.234 1.00 0.00 N ATOM 550 CA LEU A 34 5.762 4.864 3.187 1.00 0.00 C ATOM 551 C LEU A 34 4.538 5.455 2.490 1.00 0.00 C ATOM 552 O LEU A 34 4.112 4.988 1.457 1.00 0.00 O ATOM 553 CB LEU A 34 5.381 3.592 3.942 1.00 0.00 C ATOM 554 CG LEU A 34 5.930 2.375 3.199 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.340 1.099 3.806 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.542 2.460 1.721 1.00 0.00 C ATOM 0 H LEU A 34 6.050 5.515 5.193 1.00 0.00 H new ATOM 0 HA LEU A 34 6.511 4.673 2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.781 3.624 4.955 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.297 3.519 4.030 1.00 0.00 H new ATOM 0 HG LEU A 34 7.016 2.355 3.289 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.731 0.230 3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.614 1.036 4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.254 1.121 3.715 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.934 1.592 1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.456 2.481 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.959 3.369 1.287 1.00 0.00 H new ATOM 568 N SER A 35 3.952 6.464 3.075 1.00 0.00 N ATOM 569 CA SER A 35 2.736 7.082 2.475 1.00 0.00 C ATOM 570 C SER A 35 3.115 8.182 1.473 1.00 0.00 C ATOM 571 O SER A 35 2.565 8.268 0.395 1.00 0.00 O ATOM 572 CB SER A 35 1.987 7.679 3.657 1.00 0.00 C ATOM 573 OG SER A 35 2.563 8.935 3.995 1.00 0.00 O ATOM 0 H SER A 35 4.265 6.889 3.948 1.00 0.00 H new ATOM 0 HA SER A 35 2.139 6.356 1.924 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.933 7.805 3.408 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.034 7.003 4.511 1.00 0.00 H new ATOM 0 HG SER A 35 3.195 8.817 4.735 1.00 0.00 H new ATOM 579 N LYS A 36 4.030 9.041 1.834 1.00 0.00 N ATOM 580 CA LYS A 36 4.413 10.158 0.915 1.00 0.00 C ATOM 581 C LYS A 36 5.432 9.691 -0.132 1.00 0.00 C ATOM 582 O LYS A 36 5.573 10.291 -1.180 1.00 0.00 O ATOM 583 CB LYS A 36 5.036 11.216 1.824 1.00 0.00 C ATOM 584 CG LYS A 36 3.974 11.751 2.787 1.00 0.00 C ATOM 585 CD LYS A 36 4.238 11.206 4.192 1.00 0.00 C ATOM 586 CE LYS A 36 4.961 12.268 5.026 1.00 0.00 C ATOM 587 NZ LYS A 36 6.297 12.416 4.384 1.00 0.00 N ATOM 0 H LYS A 36 4.529 9.020 2.723 1.00 0.00 H new ATOM 0 HA LYS A 36 3.554 10.535 0.361 1.00 0.00 H new ATOM 0 HB2 LYS A 36 5.866 10.786 2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 36 5.443 12.031 1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.994 12.841 2.798 1.00 0.00 H new ATOM 0 HG3 LYS A 36 2.981 11.454 2.451 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.297 10.932 4.670 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.842 10.301 4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.415 13.211 5.024 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.055 11.957 6.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.932 12.938 5.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.696 11.475 4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.197 12.939 3.490 1.00 0.00 H new ATOM 601 N ARG A 37 6.155 8.643 0.144 1.00 0.00 N ATOM 602 CA ARG A 37 7.173 8.166 -0.839 1.00 0.00 C ATOM 603 C ARG A 37 6.495 7.474 -2.020 1.00 0.00 C ATOM 604 O ARG A 37 7.092 7.270 -3.059 1.00 0.00 O ATOM 605 CB ARG A 37 8.049 7.184 -0.060 1.00 0.00 C ATOM 606 CG ARG A 37 7.285 5.881 0.176 1.00 0.00 C ATOM 607 CD ARG A 37 8.236 4.697 -0.001 1.00 0.00 C ATOM 608 NE ARG A 37 9.442 5.054 0.798 1.00 0.00 N ATOM 609 CZ ARG A 37 10.630 4.752 0.354 1.00 0.00 C ATOM 610 NH1 ARG A 37 11.108 5.360 -0.696 1.00 0.00 N ATOM 611 NH2 ARG A 37 11.342 3.841 0.961 1.00 0.00 N ATOM 0 H ARG A 37 6.088 8.097 1.003 1.00 0.00 H new ATOM 0 HA ARG A 37 7.757 8.986 -1.256 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.966 6.983 -0.614 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.342 7.622 0.894 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.859 5.873 1.179 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.453 5.802 -0.524 1.00 0.00 H new ATOM 0 HD2 ARG A 37 7.785 3.771 0.356 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.488 4.545 -1.051 1.00 0.00 H new ATOM 0 HE ARG A 37 9.338 5.534 1.692 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.552 6.072 -1.170 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.038 5.124 -1.043 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.969 3.366 1.783 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.271 3.605 0.613 1.00 0.00 H new ATOM 625 N VAL A 38 5.256 7.122 -1.872 1.00 0.00 N ATOM 626 CA VAL A 38 4.531 6.452 -2.994 1.00 0.00 C ATOM 627 C VAL A 38 3.537 7.424 -3.627 1.00 0.00 C ATOM 628 O VAL A 38 3.027 7.195 -4.706 1.00 0.00 O ATOM 629 CB VAL A 38 3.802 5.261 -2.357 1.00 0.00 C ATOM 630 CG1 VAL A 38 4.767 4.082 -2.219 1.00 0.00 C ATOM 631 CG2 VAL A 38 3.285 5.655 -0.977 1.00 0.00 C ATOM 0 H VAL A 38 4.707 7.266 -1.025 1.00 0.00 H new ATOM 0 HA VAL A 38 5.206 6.127 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 38 2.964 4.973 -2.991 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.247 3.237 -1.766 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.135 3.796 -3.204 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.607 4.371 -1.588 1.00 0.00 H new ATOM 0 HG21 VAL A 38 2.768 4.808 -0.527 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.123 5.947 -0.344 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.594 6.493 -1.073 1.00 0.00 H new ATOM 641 N GLY A 39 3.280 8.521 -2.974 1.00 0.00 N ATOM 642 CA GLY A 39 2.343 9.530 -3.545 1.00 0.00 C ATOM 643 C GLY A 39 0.938 9.345 -2.955 1.00 0.00 C ATOM 644 O GLY A 39 -0.053 9.471 -3.647 1.00 0.00 O ATOM 0 H GLY A 39 3.679 8.764 -2.067 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.705 10.535 -3.331 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.306 9.429 -4.630 1.00 0.00 H new ATOM 648 N LEU A 40 0.840 9.064 -1.683 1.00 0.00 N ATOM 649 CA LEU A 40 -0.511 8.894 -1.059 1.00 0.00 C ATOM 650 C LEU A 40 -0.461 9.220 0.426 1.00 0.00 C ATOM 651 O LEU A 40 0.595 9.323 1.017 1.00 0.00 O ATOM 652 CB LEU A 40 -0.869 7.417 -1.241 1.00 0.00 C ATOM 653 CG LEU A 40 0.369 6.558 -1.016 1.00 0.00 C ATOM 654 CD1 LEU A 40 0.038 5.422 -0.041 1.00 0.00 C ATOM 655 CD2 LEU A 40 0.827 5.967 -2.351 1.00 0.00 C ATOM 0 H LEU A 40 1.630 8.945 -1.049 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.242 9.559 -1.519 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.653 7.133 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.263 7.249 -2.243 1.00 0.00 H new ATOM 0 HG LEU A 40 1.165 7.173 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.925 4.809 0.118 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.288 5.842 0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.759 4.806 -0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.713 5.352 -2.192 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.030 5.353 -2.770 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.065 6.774 -3.044 1.00 0.00 H new ATOM 667 N SER A 41 -1.598 9.332 1.048 1.00 0.00 N ATOM 668 CA SER A 41 -1.619 9.591 2.507 1.00 0.00 C ATOM 669 C SER A 41 -1.283 8.310 3.236 1.00 0.00 C ATOM 670 O SER A 41 -1.400 7.235 2.685 1.00 0.00 O ATOM 671 CB SER A 41 -3.044 10.024 2.823 1.00 0.00 C ATOM 672 OG SER A 41 -3.106 11.443 2.878 1.00 0.00 O ATOM 0 H SER A 41 -2.514 9.255 0.606 1.00 0.00 H new ATOM 0 HA SER A 41 -0.899 10.351 2.810 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.727 9.649 2.061 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.363 9.598 3.774 1.00 0.00 H new ATOM 0 HG SER A 41 -4.023 11.723 3.080 1.00 0.00 H new ATOM 678 N PRO A 42 -0.852 8.458 4.441 1.00 0.00 N ATOM 679 CA PRO A 42 -0.467 7.292 5.229 1.00 0.00 C ATOM 680 C PRO A 42 -1.706 6.533 5.700 1.00 0.00 C ATOM 681 O PRO A 42 -1.766 5.324 5.618 1.00 0.00 O ATOM 682 CB PRO A 42 0.301 7.883 6.399 1.00 0.00 C ATOM 683 CG PRO A 42 -0.212 9.285 6.536 1.00 0.00 C ATOM 684 CD PRO A 42 -0.686 9.716 5.170 1.00 0.00 C ATOM 0 HA PRO A 42 0.127 6.571 4.667 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.132 7.311 7.311 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.375 7.873 6.211 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -1.027 9.329 7.259 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.572 9.949 6.899 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.623 10.270 5.229 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.040 10.367 4.683 1.00 0.00 H new ATOM 692 N THR A 43 -2.706 7.228 6.168 1.00 0.00 N ATOM 693 CA THR A 43 -3.943 6.529 6.615 1.00 0.00 C ATOM 694 C THR A 43 -4.270 5.392 5.637 1.00 0.00 C ATOM 695 O THR A 43 -4.375 4.247 6.030 1.00 0.00 O ATOM 696 CB THR A 43 -5.036 7.608 6.601 1.00 0.00 C ATOM 697 OG1 THR A 43 -5.134 8.191 7.893 1.00 0.00 O ATOM 698 CG2 THR A 43 -6.382 6.984 6.221 1.00 0.00 C ATOM 0 H THR A 43 -2.720 8.244 6.260 1.00 0.00 H new ATOM 0 HA THR A 43 -3.845 6.079 7.603 1.00 0.00 H new ATOM 0 HB THR A 43 -4.778 8.373 5.868 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.829 8.882 7.888 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.152 7.756 6.213 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.308 6.535 5.230 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.645 6.216 6.948 1.00 0.00 H new ATOM 706 N PRO A 44 -4.389 5.747 4.383 1.00 0.00 N ATOM 707 CA PRO A 44 -4.667 4.743 3.337 1.00 0.00 C ATOM 708 C PRO A 44 -3.399 3.952 3.017 1.00 0.00 C ATOM 709 O PRO A 44 -3.433 2.744 2.888 1.00 0.00 O ATOM 710 CB PRO A 44 -5.096 5.576 2.138 1.00 0.00 C ATOM 711 CG PRO A 44 -4.461 6.919 2.348 1.00 0.00 C ATOM 712 CD PRO A 44 -4.287 7.104 3.840 1.00 0.00 C ATOM 0 HA PRO A 44 -5.422 4.015 3.633 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.762 5.124 1.204 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.182 5.657 2.083 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.499 6.973 1.839 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -5.086 7.709 1.933 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.324 7.556 4.076 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.056 7.757 4.253 1.00 0.00 H new ATOM 720 N CYS A 45 -2.268 4.612 2.906 1.00 0.00 N ATOM 721 CA CYS A 45 -1.010 3.863 2.625 1.00 0.00 C ATOM 722 C CYS A 45 -1.023 2.578 3.426 1.00 0.00 C ATOM 723 O CYS A 45 -0.783 1.503 2.913 1.00 0.00 O ATOM 724 CB CYS A 45 0.122 4.770 3.095 1.00 0.00 C ATOM 725 SG CYS A 45 1.712 4.002 2.697 1.00 0.00 S ATOM 0 H CYS A 45 -2.167 5.623 2.997 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.897 3.608 1.571 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.046 5.745 2.613 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.046 4.939 4.169 1.00 0.00 H new ATOM 0 HG CYS A 45 2.305 4.689 1.766 1.00 0.00 H new ATOM 731 N LEU A 46 -1.374 2.676 4.674 1.00 0.00 N ATOM 732 CA LEU A 46 -1.485 1.463 5.501 1.00 0.00 C ATOM 733 C LEU A 46 -2.604 0.604 4.946 1.00 0.00 C ATOM 734 O LEU A 46 -2.430 -0.560 4.679 1.00 0.00 O ATOM 735 CB LEU A 46 -1.833 1.970 6.893 1.00 0.00 C ATOM 736 CG LEU A 46 -0.676 2.815 7.418 1.00 0.00 C ATOM 737 CD1 LEU A 46 -1.185 4.204 7.805 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.064 2.136 8.643 1.00 0.00 C ATOM 0 H LEU A 46 -1.588 3.551 5.153 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.576 0.861 5.514 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.747 2.563 6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.021 1.131 7.563 1.00 0.00 H new ATOM 0 HG LEU A 46 0.081 2.913 6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.356 4.804 8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.618 4.689 6.931 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.944 4.110 8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.763 2.739 9.018 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.822 2.035 9.420 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.304 1.148 8.366 1.00 0.00 H new ATOM 750 N GLU A 47 -3.747 1.189 4.716 1.00 0.00 N ATOM 751 CA GLU A 47 -4.861 0.408 4.122 1.00 0.00 C ATOM 752 C GLU A 47 -4.323 -0.404 2.943 1.00 0.00 C ATOM 753 O GLU A 47 -4.617 -1.575 2.793 1.00 0.00 O ATOM 754 CB GLU A 47 -5.879 1.448 3.647 1.00 0.00 C ATOM 755 CG GLU A 47 -6.663 1.979 4.849 1.00 0.00 C ATOM 756 CD GLU A 47 -8.017 2.512 4.379 1.00 0.00 C ATOM 757 OE1 GLU A 47 -8.058 3.635 3.903 1.00 0.00 O ATOM 758 OE2 GLU A 47 -8.992 1.788 4.503 1.00 0.00 O ATOM 0 H GLU A 47 -3.954 2.168 4.913 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.313 -0.290 4.827 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.369 2.268 3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.561 1.001 2.923 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.807 1.185 5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.100 2.771 5.343 1.00 0.00 H new ATOM 765 N ARG A 48 -3.496 0.202 2.126 1.00 0.00 N ATOM 766 CA ARG A 48 -2.897 -0.541 0.983 1.00 0.00 C ATOM 767 C ARG A 48 -1.924 -1.592 1.522 1.00 0.00 C ATOM 768 O ARG A 48 -1.943 -2.745 1.123 1.00 0.00 O ATOM 769 CB ARG A 48 -2.155 0.517 0.157 1.00 0.00 C ATOM 770 CG ARG A 48 -3.175 1.405 -0.554 1.00 0.00 C ATOM 771 CD ARG A 48 -2.887 2.871 -0.229 1.00 0.00 C ATOM 772 NE ARG A 48 -3.487 3.638 -1.356 1.00 0.00 N ATOM 773 CZ ARG A 48 -4.726 3.423 -1.707 1.00 0.00 C ATOM 774 NH1 ARG A 48 -5.566 2.904 -0.853 1.00 0.00 N ATOM 775 NH2 ARG A 48 -5.124 3.724 -2.912 1.00 0.00 N ATOM 0 H ARG A 48 -3.212 1.179 2.204 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.641 -1.062 0.380 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.518 1.120 0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.503 0.035 -0.572 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.126 1.244 -1.631 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -4.185 1.143 -0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.330 3.159 0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.816 3.055 -0.152 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.929 4.332 -1.854 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.254 2.666 0.089 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.534 2.736 -1.127 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.467 4.127 -3.580 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.092 3.556 -3.186 1.00 0.00 H new ATOM 789 N VAL A 49 -1.095 -1.208 2.452 1.00 0.00 N ATOM 790 CA VAL A 49 -0.141 -2.178 3.045 1.00 0.00 C ATOM 791 C VAL A 49 -0.916 -3.278 3.780 1.00 0.00 C ATOM 792 O VAL A 49 -0.668 -4.453 3.602 1.00 0.00 O ATOM 793 CB VAL A 49 0.708 -1.345 4.021 1.00 0.00 C ATOM 794 CG1 VAL A 49 0.430 -1.778 5.466 1.00 0.00 C ATOM 795 CG2 VAL A 49 2.187 -1.559 3.705 1.00 0.00 C ATOM 0 H VAL A 49 -1.039 -0.261 2.826 1.00 0.00 H new ATOM 0 HA VAL A 49 0.481 -2.676 2.301 1.00 0.00 H new ATOM 0 HB VAL A 49 0.451 -0.292 3.911 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.036 -1.182 6.148 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.625 -1.629 5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.681 -2.832 5.585 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.795 -0.971 4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.433 -2.615 3.814 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.390 -1.243 2.682 1.00 0.00 H new ATOM 805 N ARG A 50 -1.869 -2.899 4.591 1.00 0.00 N ATOM 806 CA ARG A 50 -2.676 -3.914 5.319 1.00 0.00 C ATOM 807 C ARG A 50 -3.045 -5.041 4.371 1.00 0.00 C ATOM 808 O ARG A 50 -2.737 -6.193 4.606 1.00 0.00 O ATOM 809 CB ARG A 50 -3.927 -3.167 5.786 1.00 0.00 C ATOM 810 CG ARG A 50 -3.520 -2.011 6.708 1.00 0.00 C ATOM 811 CD ARG A 50 -3.468 -2.506 8.151 1.00 0.00 C ATOM 812 NE ARG A 50 -3.585 -1.276 8.983 1.00 0.00 N ATOM 813 CZ ARG A 50 -4.763 -0.821 9.316 1.00 0.00 C ATOM 814 NH1 ARG A 50 -5.576 -1.567 10.013 1.00 0.00 N ATOM 815 NH2 ARG A 50 -5.124 0.380 8.956 1.00 0.00 N ATOM 0 H ARG A 50 -2.121 -1.929 4.779 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.139 -4.358 6.157 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.477 -2.784 4.926 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.595 -3.849 6.313 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.547 -1.620 6.411 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.233 -1.192 6.619 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.280 -3.202 8.359 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -2.536 -3.033 8.354 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.744 -0.789 9.293 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -5.291 -2.504 10.297 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.496 -1.213 10.274 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.486 0.963 8.415 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -6.044 0.735 9.216 1.00 0.00 H new ATOM 829 N ARG A 51 -3.669 -4.717 3.280 1.00 0.00 N ATOM 830 CA ARG A 51 -4.017 -5.770 2.294 1.00 0.00 C ATOM 831 C ARG A 51 -2.789 -6.643 2.050 1.00 0.00 C ATOM 832 O ARG A 51 -2.869 -7.856 2.021 1.00 0.00 O ATOM 833 CB ARG A 51 -4.403 -5.016 1.020 1.00 0.00 C ATOM 834 CG ARG A 51 -4.528 -6.008 -0.139 1.00 0.00 C ATOM 835 CD ARG A 51 -3.186 -6.116 -0.866 1.00 0.00 C ATOM 836 NE ARG A 51 -3.536 -6.121 -2.312 1.00 0.00 N ATOM 837 CZ ARG A 51 -4.270 -7.085 -2.800 1.00 0.00 C ATOM 838 NH1 ARG A 51 -3.852 -8.319 -2.737 1.00 0.00 N ATOM 839 NH2 ARG A 51 -5.423 -6.814 -3.349 1.00 0.00 N ATOM 0 H ARG A 51 -3.953 -3.770 3.028 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.826 -6.418 2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.347 -4.490 1.167 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.651 -4.262 0.788 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.830 -6.986 0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -5.303 -5.679 -0.831 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.534 -5.278 -0.620 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.656 -7.026 -0.584 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.204 -5.373 -2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.952 -8.531 -2.307 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.425 -9.072 -3.118 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.751 -5.849 -3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.996 -7.567 -3.730 1.00 0.00 H new ATOM 853 N LEU A 52 -1.642 -6.030 1.905 1.00 0.00 N ATOM 854 CA LEU A 52 -0.395 -6.820 1.698 1.00 0.00 C ATOM 855 C LEU A 52 -0.015 -7.538 2.995 1.00 0.00 C ATOM 856 O LEU A 52 0.373 -8.690 2.990 1.00 0.00 O ATOM 857 CB LEU A 52 0.671 -5.787 1.329 1.00 0.00 C ATOM 858 CG LEU A 52 0.456 -5.324 -0.111 1.00 0.00 C ATOM 859 CD1 LEU A 52 1.566 -4.348 -0.504 1.00 0.00 C ATOM 860 CD2 LEU A 52 0.489 -6.535 -1.045 1.00 0.00 C ATOM 0 H LEU A 52 -1.517 -5.018 1.921 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.507 -7.582 0.927 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.618 -4.936 2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.665 -6.220 1.438 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.511 -4.827 -0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.413 -4.017 -1.531 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.544 -3.485 0.162 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.533 -4.845 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.336 -6.206 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.456 -7.031 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.301 -7.232 -0.765 1.00 0.00 H new ATOM 872 N GLU A 53 -0.132 -6.866 4.108 1.00 0.00 N ATOM 873 CA GLU A 53 0.212 -7.504 5.410 1.00 0.00 C ATOM 874 C GLU A 53 -0.727 -8.683 5.684 1.00 0.00 C ATOM 875 O GLU A 53 -0.294 -9.804 5.861 1.00 0.00 O ATOM 876 CB GLU A 53 0.013 -6.395 6.450 1.00 0.00 C ATOM 877 CG GLU A 53 -0.164 -7.010 7.840 1.00 0.00 C ATOM 878 CD GLU A 53 0.905 -6.454 8.782 1.00 0.00 C ATOM 879 OE1 GLU A 53 2.074 -6.569 8.454 1.00 0.00 O ATOM 880 OE2 GLU A 53 0.536 -5.925 9.818 1.00 0.00 O ATOM 0 H GLU A 53 -0.452 -5.900 4.171 1.00 0.00 H new ATOM 0 HA GLU A 53 1.227 -7.902 5.427 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.871 -5.723 6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.861 -5.797 6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.158 -6.783 8.226 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.084 -8.096 7.782 1.00 0.00 H new ATOM 887 N ARG A 54 -2.008 -8.441 5.715 1.00 0.00 N ATOM 888 CA ARG A 54 -2.969 -9.551 5.971 1.00 0.00 C ATOM 889 C ARG A 54 -2.743 -10.683 4.966 1.00 0.00 C ATOM 890 O ARG A 54 -3.171 -11.802 5.167 1.00 0.00 O ATOM 891 CB ARG A 54 -4.353 -8.931 5.776 1.00 0.00 C ATOM 892 CG ARG A 54 -4.535 -8.531 4.310 1.00 0.00 C ATOM 893 CD ARG A 54 -5.913 -8.987 3.825 1.00 0.00 C ATOM 894 NE ARG A 54 -5.673 -10.296 3.157 1.00 0.00 N ATOM 895 CZ ARG A 54 -6.648 -10.897 2.531 1.00 0.00 C ATOM 896 NH1 ARG A 54 -7.189 -10.343 1.481 1.00 0.00 N ATOM 897 NH2 ARG A 54 -7.081 -12.053 2.956 1.00 0.00 N ATOM 0 H ARG A 54 -2.431 -7.524 5.574 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.852 -9.979 6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -5.126 -9.642 6.068 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.465 -8.057 6.418 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.439 -7.451 4.202 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.754 -8.983 3.699 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.610 -9.090 4.657 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.347 -8.265 3.134 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.747 -10.723 3.189 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -6.850 -9.440 1.149 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.951 -10.813 0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.657 -12.486 3.777 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.843 -12.523 2.467 1.00 0.00 H new ATOM 911 N GLN A 55 -2.071 -10.399 3.884 1.00 0.00 N ATOM 912 CA GLN A 55 -1.815 -11.456 2.865 1.00 0.00 C ATOM 913 C GLN A 55 -0.505 -12.183 3.174 1.00 0.00 C ATOM 914 O GLN A 55 -0.011 -12.960 2.381 1.00 0.00 O ATOM 915 CB GLN A 55 -1.712 -10.705 1.538 1.00 0.00 C ATOM 916 CG GLN A 55 -3.078 -10.691 0.852 1.00 0.00 C ATOM 917 CD GLN A 55 -3.007 -11.503 -0.442 1.00 0.00 C ATOM 918 OE1 GLN A 55 -2.487 -10.963 -1.510 1.00 0.00 O flip ATOM 919 NE2 GLN A 55 -3.427 -12.643 -0.482 1.00 0.00 N flip ATOM 0 H GLN A 55 -1.688 -9.480 3.662 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.599 -12.213 2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.370 -9.685 1.711 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.975 -11.183 0.894 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.834 -11.110 1.516 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.377 -9.666 0.635 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -3.834 -13.066 0.352 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.373 -13.176 -1.350 1.00 0.00 H new ATOM 928 N GLY A 56 0.063 -11.939 4.323 1.00 0.00 N ATOM 929 CA GLY A 56 1.341 -12.617 4.685 1.00 0.00 C ATOM 930 C GLY A 56 2.483 -12.036 3.850 1.00 0.00 C ATOM 931 O GLY A 56 3.316 -12.756 3.335 1.00 0.00 O ATOM 0 H GLY A 56 -0.303 -11.299 5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.548 -12.482 5.747 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.258 -13.690 4.510 1.00 0.00 H new ATOM 935 N PHE A 57 2.533 -10.738 3.714 1.00 0.00 N ATOM 936 CA PHE A 57 3.627 -10.113 2.915 1.00 0.00 C ATOM 937 C PHE A 57 4.199 -8.901 3.656 1.00 0.00 C ATOM 938 O PHE A 57 4.947 -8.120 3.104 1.00 0.00 O ATOM 939 CB PHE A 57 2.963 -9.683 1.606 1.00 0.00 C ATOM 940 CG PHE A 57 2.724 -10.898 0.743 1.00 0.00 C ATOM 941 CD1 PHE A 57 3.738 -11.849 0.581 1.00 0.00 C ATOM 942 CD2 PHE A 57 1.489 -11.076 0.109 1.00 0.00 C ATOM 943 CE1 PHE A 57 3.518 -12.978 -0.217 1.00 0.00 C ATOM 944 CE2 PHE A 57 1.269 -12.204 -0.690 1.00 0.00 C ATOM 945 CZ PHE A 57 2.284 -13.155 -0.853 1.00 0.00 C ATOM 0 H PHE A 57 1.865 -10.084 4.121 1.00 0.00 H new ATOM 0 HA PHE A 57 4.458 -10.797 2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.019 -9.179 1.813 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.598 -8.969 1.081 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.690 -11.712 1.072 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.706 -10.343 0.236 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.300 -13.712 -0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 57 0.317 -12.341 -1.181 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.114 -14.025 -1.470 1.00 0.00 H new ATOM 955 N ILE A 58 3.855 -8.743 4.906 1.00 0.00 N ATOM 956 CA ILE A 58 4.381 -7.585 5.686 1.00 0.00 C ATOM 957 C ILE A 58 4.687 -8.008 7.123 1.00 0.00 C ATOM 958 O ILE A 58 4.309 -7.350 8.071 1.00 0.00 O ATOM 959 CB ILE A 58 3.265 -6.544 5.657 1.00 0.00 C ATOM 960 CG1 ILE A 58 2.683 -6.453 4.243 1.00 0.00 C ATOM 961 CG2 ILE A 58 3.833 -5.183 6.049 1.00 0.00 C ATOM 962 CD1 ILE A 58 3.732 -5.863 3.299 1.00 0.00 C ATOM 0 H ILE A 58 3.232 -9.366 5.421 1.00 0.00 H new ATOM 0 HA ILE A 58 5.309 -7.195 5.268 1.00 0.00 H new ATOM 0 HB ILE A 58 2.482 -6.835 6.357 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.382 -7.442 3.897 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.788 -5.830 4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.038 -4.438 6.029 1.00 0.00 H new ATOM 0 HG22 ILE A 58 4.252 -5.239 7.053 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.615 -4.899 5.345 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.320 -5.797 2.292 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.011 -4.867 3.642 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.614 -6.504 3.289 1.00 0.00 H new ATOM 974 N GLN A 59 5.384 -9.099 7.287 1.00 0.00 N ATOM 975 CA GLN A 59 5.734 -9.563 8.660 1.00 0.00 C ATOM 976 C GLN A 59 7.097 -9.002 9.068 1.00 0.00 C ATOM 977 O GLN A 59 7.534 -9.156 10.192 1.00 0.00 O ATOM 978 CB GLN A 59 5.791 -11.088 8.560 1.00 0.00 C ATOM 979 CG GLN A 59 6.966 -11.496 7.669 1.00 0.00 C ATOM 980 CD GLN A 59 6.776 -12.941 7.202 1.00 0.00 C ATOM 981 OE1 GLN A 59 6.438 -13.806 7.986 1.00 0.00 O ATOM 982 NE2 GLN A 59 6.979 -13.241 5.949 1.00 0.00 N ATOM 0 H GLN A 59 5.727 -9.690 6.529 1.00 0.00 H new ATOM 0 HA GLN A 59 5.013 -9.231 9.407 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.904 -11.524 9.552 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.858 -11.471 8.148 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.032 -10.830 6.808 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.903 -11.400 8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.263 -12.516 5.290 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.854 -14.201 5.628 1.00 0.00 H new ATOM 991 N GLY A 60 7.765 -8.348 8.163 1.00 0.00 N ATOM 992 CA GLY A 60 9.098 -7.768 8.485 1.00 0.00 C ATOM 993 C GLY A 60 9.166 -6.338 7.948 1.00 0.00 C ATOM 994 O GLY A 60 9.666 -5.442 8.599 1.00 0.00 O ATOM 0 H GLY A 60 7.444 -8.189 7.208 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.259 -7.773 9.563 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.888 -8.374 8.042 1.00 0.00 H new ATOM 998 N TYR A 61 8.654 -6.115 6.767 1.00 0.00 N ATOM 999 CA TYR A 61 8.674 -4.740 6.191 1.00 0.00 C ATOM 1000 C TYR A 61 7.973 -3.771 7.136 1.00 0.00 C ATOM 1001 O TYR A 61 8.447 -3.499 8.221 1.00 0.00 O ATOM 1002 CB TYR A 61 7.913 -4.858 4.872 1.00 0.00 C ATOM 1003 CG TYR A 61 8.703 -5.711 3.909 1.00 0.00 C ATOM 1004 CD1 TYR A 61 10.094 -5.574 3.833 1.00 0.00 C ATOM 1005 CD2 TYR A 61 8.045 -6.640 3.096 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.827 -6.367 2.943 1.00 0.00 C ATOM 1007 CE2 TYR A 61 8.778 -7.433 2.207 1.00 0.00 C ATOM 1008 CZ TYR A 61 10.169 -7.298 2.129 1.00 0.00 C ATOM 1009 OH TYR A 61 10.892 -8.080 1.252 1.00 0.00 O ATOM 0 H TYR A 61 8.223 -6.826 6.177 1.00 0.00 H new ATOM 0 HA TYR A 61 9.685 -4.361 6.042 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.931 -5.300 5.045 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.747 -3.869 4.446 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.601 -4.857 4.461 1.00 0.00 H new ATOM 0 HD2 TYR A 61 6.972 -6.745 3.155 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.900 -6.261 2.884 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.270 -8.151 1.580 1.00 0.00 H new ATOM 0 HH TYR A 61 10.850 -7.689 0.354 1.00 0.00 H new ATOM 1019 N THR A 62 6.839 -3.257 6.751 1.00 0.00 N ATOM 1020 CA THR A 62 6.120 -2.327 7.652 1.00 0.00 C ATOM 1021 C THR A 62 5.236 -3.116 8.603 1.00 0.00 C ATOM 1022 O THR A 62 4.318 -2.588 9.194 1.00 0.00 O ATOM 1023 CB THR A 62 5.278 -1.444 6.739 1.00 0.00 C ATOM 1024 OG1 THR A 62 4.772 -0.344 7.483 1.00 0.00 O ATOM 1025 CG2 THR A 62 4.113 -2.251 6.164 1.00 0.00 C ATOM 0 H THR A 62 6.384 -3.441 5.857 1.00 0.00 H new ATOM 0 HA THR A 62 6.800 -1.732 8.261 1.00 0.00 H new ATOM 0 HB THR A 62 5.898 -1.079 5.920 1.00 0.00 H new ATOM 0 HG1 THR A 62 3.847 -0.164 7.213 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.515 -1.614 5.512 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.501 -3.093 5.591 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.491 -2.622 6.978 1.00 0.00 H new ATOM 1033 N ALA A 63 5.511 -4.384 8.760 1.00 0.00 N ATOM 1034 CA ALA A 63 4.695 -5.210 9.686 1.00 0.00 C ATOM 1035 C ALA A 63 4.346 -4.381 10.924 1.00 0.00 C ATOM 1036 O ALA A 63 3.310 -4.554 11.535 1.00 0.00 O ATOM 1037 CB ALA A 63 5.594 -6.386 10.063 1.00 0.00 C ATOM 0 H ALA A 63 6.266 -4.880 8.286 1.00 0.00 H new ATOM 0 HA ALA A 63 3.759 -5.547 9.241 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.062 -7.046 10.748 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.866 -6.939 9.164 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.497 -6.013 10.546 1.00 0.00 H new ATOM 1043 N LEU A 64 5.208 -3.463 11.280 1.00 0.00 N ATOM 1044 CA LEU A 64 4.942 -2.591 12.458 1.00 0.00 C ATOM 1045 C LEU A 64 3.599 -1.892 12.301 1.00 0.00 C ATOM 1046 O LEU A 64 2.895 -1.645 13.259 1.00 0.00 O ATOM 1047 CB LEU A 64 6.079 -1.566 12.447 1.00 0.00 C ATOM 1048 CG LEU A 64 6.195 -0.932 11.052 1.00 0.00 C ATOM 1049 CD1 LEU A 64 5.492 0.427 11.049 1.00 0.00 C ATOM 1050 CD2 LEU A 64 7.673 -0.739 10.701 1.00 0.00 C ATOM 0 H LEU A 64 6.090 -3.281 10.800 1.00 0.00 H new ATOM 0 HA LEU A 64 4.902 -3.153 13.391 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.892 -0.794 13.193 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.019 -2.049 12.716 1.00 0.00 H new ATOM 0 HG LEU A 64 5.727 -1.586 10.316 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.574 0.877 10.060 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.440 0.293 11.300 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.960 1.081 11.785 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.756 -0.289 9.712 1.00 0.00 H new ATOM 0 HD22 LEU A 64 8.139 -0.085 11.437 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.177 -1.706 10.704 1.00 0.00 H new ATOM 1062 N LEU A 65 3.247 -1.572 11.098 1.00 0.00 N ATOM 1063 CA LEU A 65 1.951 -0.882 10.848 1.00 0.00 C ATOM 1064 C LEU A 65 0.852 -1.461 11.741 1.00 0.00 C ATOM 1065 O LEU A 65 -0.113 -0.797 12.066 1.00 0.00 O ATOM 1066 CB LEU A 65 1.646 -1.156 9.373 1.00 0.00 C ATOM 1067 CG LEU A 65 1.115 -2.584 9.217 1.00 0.00 C ATOM 1068 CD1 LEU A 65 -0.414 -2.565 9.233 1.00 0.00 C ATOM 1069 CD2 LEU A 65 1.601 -3.164 7.890 1.00 0.00 C ATOM 0 H LEU A 65 3.803 -1.758 10.264 1.00 0.00 H new ATOM 0 HA LEU A 65 2.001 0.184 11.069 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.911 -0.441 9.004 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.547 -1.024 8.774 1.00 0.00 H new ATOM 0 HG LEU A 65 1.479 -3.199 10.040 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.792 -3.581 9.122 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.763 -2.150 10.178 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.779 -1.950 8.410 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.224 -4.180 7.777 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.236 -2.548 7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.691 -3.178 7.876 1.00 0.00 H new ATOM 1081 N ASN A 66 0.993 -2.690 12.138 1.00 0.00 N ATOM 1082 CA ASN A 66 -0.041 -3.315 13.012 1.00 0.00 C ATOM 1083 C ASN A 66 0.589 -3.787 14.325 1.00 0.00 C ATOM 1084 O ASN A 66 1.374 -3.039 14.885 1.00 0.00 O ATOM 1085 CB ASN A 66 -0.564 -4.508 12.210 1.00 0.00 C ATOM 1086 CG ASN A 66 -2.089 -4.437 12.126 1.00 0.00 C ATOM 1087 OD1 ASN A 66 -2.661 -3.365 12.136 1.00 0.00 O ATOM 1088 ND2 ASN A 66 -2.779 -5.543 12.041 1.00 0.00 N ATOM 1089 OXT ASN A 66 0.276 -4.889 14.746 1.00 0.00 O ATOM 0 H ASN A 66 1.780 -3.293 11.897 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.836 -2.618 13.275 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.133 -4.503 11.209 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.258 -5.441 12.684 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.797 -5.506 11.983 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.300 -6.444 12.032 1.00 0.00 H new TER 1096 ASN A 66