USER MOD reduce.3.24.130724 H: found=0, std=0, add=694, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 695 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 51 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 82 THR OG1 : rot 70:sc= -2.33 USER MOD Set 2.1: A 27 CYS SG : rot -148:sc= -7.91! USER MOD Set 2.2: A 66 CYS SG : rot -125:sc=-0.00737 USER MOD Set 3.1: A 23 ASN : amide:sc= -4! C(o=-7.5!,f=-8.6!) USER MOD Set 3.2: A 28 THR OG1 : rot -140:sc= -3.45! USER MOD Set 4.1: A 19 SER OG : rot -170:sc= -0.0895 USER MOD Set 4.2: A 103 GLN : amide:sc= -4.7 K(o=-4.8,f=-6!) USER MOD Set 5.1: A 5 ASN : amide:sc= -4.13 K(o=-4.3,f=-2.3!) USER MOD Set 5.2: A 78 SER OG : rot 180:sc= -0.152 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 165:sc= -0.333 (180deg=-0.497) USER MOD Single : A 10 LYS NZ :NH3+ -142:sc= -6.43 (180deg=-9.96!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 135:sc= -0.912 (180deg=-3.81!) USER MOD Single : A 21 SER OG : rot 180:sc= -0.929 USER MOD Single : A 34 GLN : amide:sc= -0.197 K(o=-0.2,f=-0.99) USER MOD Single : A 36 GLN : amide:sc= -6.1! C(o=-6.1!,f=-13!) USER MOD Single : A 37 TYR OH : rot -90:sc= 0.728 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 173:sc= 1.29 (180deg=1.15) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : A 64 GLN : amide:sc= -0.0798 X(o=-0.08,f=0) USER MOD Single : A 67 TYR OH : rot 100:sc= 0.105 USER MOD Single : A 71 LYS NZ :NH3+ -169:sc= 0.286 (180deg=0.204) USER MOD Single : A 74 ASN : amide:sc= -2.46! K(o=-2.5!,f=-1.2) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl 174:sc= -1.03 (180deg=-1.1) USER MOD Single : A 104 TYR OH : rot -106:sc= 0.707 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -1.649 -10.044 -13.996 1.00 0.00 N ATOM 2 CA LEU A 1 -1.403 -9.035 -12.933 1.00 0.00 C ATOM 3 C LEU A 1 -0.894 -7.723 -13.523 1.00 0.00 C ATOM 4 O LEU A 1 0.259 -7.630 -13.950 1.00 0.00 O ATOM 5 CB LEU A 1 -0.378 -9.603 -11.948 1.00 0.00 C ATOM 6 CG LEU A 1 -0.880 -10.776 -11.099 1.00 0.00 C ATOM 7 CD1 LEU A 1 -0.128 -12.052 -11.447 1.00 0.00 C ATOM 8 CD2 LEU A 1 -0.739 -10.461 -9.615 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.994 -10.925 -13.565 1.00 0.00 H new ATOM 0 H2 LEU A 1 -2.362 -9.681 -14.661 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.763 -10.233 -14.507 1.00 0.00 H new ATOM 0 HA LEU A 1 -2.341 -8.822 -12.420 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.500 -9.927 -12.507 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -0.054 -8.803 -11.282 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.936 -10.930 -11.320 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.500 -12.872 -10.833 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.281 -12.289 -12.500 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.936 -11.910 -11.258 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -1.100 -11.305 -9.028 1.00 0.00 H new ATOM 0 HD22 LEU A 1 0.309 -10.278 -9.380 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -1.325 -9.574 -9.374 1.00 0.00 H new ATOM 22 N GLU A 2 -1.755 -6.712 -13.545 1.00 0.00 N ATOM 23 CA GLU A 2 -1.389 -5.407 -14.084 1.00 0.00 C ATOM 24 C GLU A 2 -0.584 -4.607 -13.069 1.00 0.00 C ATOM 25 O GLU A 2 -0.643 -4.871 -11.868 1.00 0.00 O ATOM 26 CB GLU A 2 -2.639 -4.614 -14.472 1.00 0.00 C ATOM 27 CG GLU A 2 -2.462 -3.774 -15.726 1.00 0.00 C ATOM 28 CD GLU A 2 -2.724 -4.559 -16.998 1.00 0.00 C ATOM 29 OE1 GLU A 2 -3.757 -5.256 -17.061 1.00 0.00 O ATOM 30 OE2 GLU A 2 -1.896 -4.475 -17.928 1.00 0.00 O ATOM 0 H GLU A 2 -2.712 -6.771 -13.196 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.778 -5.576 -14.971 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.466 -5.307 -14.623 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.917 -3.962 -13.644 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.138 -2.920 -15.685 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.448 -3.376 -15.752 1.00 0.00 H new ATOM 37 N LYS A 3 0.153 -3.618 -13.556 1.00 0.00 N ATOM 38 CA LYS A 3 0.948 -2.768 -12.685 1.00 0.00 C ATOM 39 C LYS A 3 1.004 -1.347 -13.226 1.00 0.00 C ATOM 40 O LYS A 3 1.322 -1.127 -14.395 1.00 0.00 O ATOM 41 CB LYS A 3 2.369 -3.316 -12.528 1.00 0.00 C ATOM 42 CG LYS A 3 2.427 -4.805 -12.236 1.00 0.00 C ATOM 43 CD LYS A 3 3.862 -5.279 -12.076 1.00 0.00 C ATOM 44 CE LYS A 3 3.989 -6.318 -10.975 1.00 0.00 C ATOM 45 NZ LYS A 3 4.928 -7.411 -11.350 1.00 0.00 N ATOM 0 H LYS A 3 0.216 -3.386 -14.547 1.00 0.00 H new ATOM 0 HA LYS A 3 0.468 -2.758 -11.706 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.929 -3.113 -13.441 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.868 -2.778 -11.722 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.866 -5.022 -11.327 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.948 -5.356 -13.045 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.213 -5.701 -13.018 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.504 -4.428 -11.849 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.337 -5.838 -10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.008 -6.740 -10.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 4.987 -8.100 -10.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 4.583 -7.886 -12.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 5.871 -7.012 -11.531 1.00 0.00 H new ATOM 59 N PHE A 4 0.702 -0.385 -12.364 1.00 0.00 N ATOM 60 CA PHE A 4 0.728 1.018 -12.746 1.00 0.00 C ATOM 61 C PHE A 4 1.381 1.846 -11.648 1.00 0.00 C ATOM 62 O PHE A 4 1.623 1.346 -10.550 1.00 0.00 O ATOM 63 CB PHE A 4 -0.687 1.527 -13.040 1.00 0.00 C ATOM 64 CG PHE A 4 -1.541 1.718 -11.819 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.023 0.629 -11.111 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.867 2.992 -11.379 1.00 0.00 C ATOM 67 CE1 PHE A 4 -2.813 0.805 -9.992 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.652 3.173 -10.262 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.128 2.080 -9.566 1.00 0.00 C ATOM 0 H PHE A 4 0.436 -0.553 -11.394 1.00 0.00 H new ATOM 0 HA PHE A 4 1.317 1.120 -13.657 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.616 2.476 -13.572 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.182 0.823 -13.709 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.778 -0.371 -11.438 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.501 3.853 -11.919 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.184 -0.053 -9.451 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.896 4.171 -9.930 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.745 2.222 -8.691 1.00 0.00 H new ATOM 79 N ASN A 5 1.674 3.105 -11.945 1.00 0.00 N ATOM 80 CA ASN A 5 2.313 3.980 -10.970 1.00 0.00 C ATOM 81 C ASN A 5 1.344 5.036 -10.455 1.00 0.00 C ATOM 82 O ASN A 5 0.606 5.651 -11.225 1.00 0.00 O ATOM 83 CB ASN A 5 3.542 4.651 -11.588 1.00 0.00 C ATOM 84 CG ASN A 5 4.817 4.335 -10.829 1.00 0.00 C ATOM 85 OD1 ASN A 5 5.846 4.021 -11.426 1.00 0.00 O ATOM 86 ND2 ASN A 5 4.755 4.418 -9.506 1.00 0.00 N ATOM 0 H ASN A 5 1.481 3.541 -12.847 1.00 0.00 H new ATOM 0 HA ASN A 5 2.626 3.368 -10.124 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.648 4.325 -12.623 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.392 5.730 -11.607 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.582 4.218 -8.943 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.881 4.682 -9.052 1.00 0.00 H new ATOM 93 N VAL A 6 1.364 5.242 -9.145 1.00 0.00 N ATOM 94 CA VAL A 6 0.501 6.227 -8.507 1.00 0.00 C ATOM 95 C VAL A 6 1.331 7.335 -7.882 1.00 0.00 C ATOM 96 O VAL A 6 1.980 7.131 -6.859 1.00 0.00 O ATOM 97 CB VAL A 6 -0.363 5.582 -7.410 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.423 6.554 -6.918 1.00 0.00 C ATOM 99 CG2 VAL A 6 -0.987 4.294 -7.909 1.00 0.00 C ATOM 0 H VAL A 6 1.972 4.737 -8.500 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.148 6.639 -9.280 1.00 0.00 H new ATOM 0 HB VAL A 6 0.280 5.336 -6.565 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.022 6.077 -6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -0.941 7.442 -6.509 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.067 6.841 -7.749 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.594 3.854 -7.118 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.616 4.506 -8.774 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.201 3.595 -8.194 1.00 0.00 H new ATOM 109 N ASP A 7 1.310 8.511 -8.492 1.00 0.00 N ATOM 110 CA ASP A 7 2.072 9.634 -7.972 1.00 0.00 C ATOM 111 C ASP A 7 1.145 10.726 -7.460 1.00 0.00 C ATOM 112 O ASP A 7 0.263 11.190 -8.181 1.00 0.00 O ATOM 113 CB ASP A 7 2.990 10.197 -9.058 1.00 0.00 C ATOM 114 CG ASP A 7 4.207 10.892 -8.481 1.00 0.00 C ATOM 115 OD1 ASP A 7 4.171 11.261 -7.288 1.00 0.00 O ATOM 116 OD2 ASP A 7 5.198 11.071 -9.222 1.00 0.00 O ATOM 0 H ASP A 7 0.779 8.710 -9.340 1.00 0.00 H new ATOM 0 HA ASP A 7 2.679 9.278 -7.140 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.313 9.388 -9.713 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.431 10.901 -9.674 1.00 0.00 H new ATOM 121 N LEU A 8 1.361 11.148 -6.220 1.00 0.00 N ATOM 122 CA LEU A 8 0.546 12.204 -5.638 1.00 0.00 C ATOM 123 C LEU A 8 1.316 12.945 -4.561 1.00 0.00 C ATOM 124 O LEU A 8 2.280 12.429 -4.007 1.00 0.00 O ATOM 125 CB LEU A 8 -0.785 11.664 -5.086 1.00 0.00 C ATOM 126 CG LEU A 8 -0.710 10.515 -4.066 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.160 9.376 -4.572 1.00 0.00 C ATOM 128 CD2 LEU A 8 -0.220 11.016 -2.713 1.00 0.00 C ATOM 0 H LEU A 8 2.086 10.779 -5.605 1.00 0.00 H new ATOM 0 HA LEU A 8 0.304 12.906 -6.436 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.319 12.493 -4.622 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.389 11.328 -5.929 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.720 10.125 -3.937 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.190 8.582 -3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.256 8.985 -5.501 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.170 9.743 -4.753 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.176 10.183 -2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.774 11.450 -2.824 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.906 11.774 -2.335 1.00 0.00 H new ATOM 140 N MET A 9 0.898 14.166 -4.278 1.00 0.00 N ATOM 141 CA MET A 9 1.570 14.974 -3.275 1.00 0.00 C ATOM 142 C MET A 9 1.397 14.377 -1.890 1.00 0.00 C ATOM 143 O MET A 9 0.277 14.157 -1.427 1.00 0.00 O ATOM 144 CB MET A 9 1.043 16.404 -3.311 1.00 0.00 C ATOM 145 CG MET A 9 1.848 17.311 -4.229 1.00 0.00 C ATOM 146 SD MET A 9 2.792 18.558 -3.332 1.00 0.00 S ATOM 147 CE MET A 9 4.444 17.873 -3.450 1.00 0.00 C ATOM 0 H MET A 9 0.101 14.618 -4.726 1.00 0.00 H new ATOM 0 HA MET A 9 2.636 14.987 -3.504 1.00 0.00 H new ATOM 0 HB2 MET A 9 0.004 16.394 -3.639 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.055 16.815 -2.302 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.531 16.704 -4.824 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.172 17.806 -4.926 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.175 18.638 -3.186 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.538 17.030 -2.766 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.626 17.535 -4.470 1.00 0.00 H new ATOM 157 N LYS A 10 2.519 14.112 -1.236 1.00 0.00 N ATOM 158 CA LYS A 10 2.505 13.533 0.094 1.00 0.00 C ATOM 159 C LYS A 10 2.916 14.552 1.144 1.00 0.00 C ATOM 160 O LYS A 10 3.965 15.185 1.036 1.00 0.00 O ATOM 161 CB LYS A 10 3.444 12.329 0.160 1.00 0.00 C ATOM 162 CG LYS A 10 2.762 11.048 0.610 1.00 0.00 C ATOM 163 CD LYS A 10 2.871 10.870 2.113 1.00 0.00 C ATOM 164 CE LYS A 10 1.508 10.851 2.771 1.00 0.00 C ATOM 165 NZ LYS A 10 1.146 12.172 3.340 1.00 0.00 N ATOM 0 H LYS A 10 3.452 14.290 -1.609 1.00 0.00 H new ATOM 0 HA LYS A 10 1.485 13.212 0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.886 12.169 -0.824 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.262 12.554 0.844 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.712 11.070 0.318 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.215 10.195 0.106 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.395 9.940 2.333 1.00 0.00 H new ATOM 0 HD3 LYS A 10 3.468 11.679 2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.757 10.553 2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.498 10.101 3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.642 12.036 4.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.010 12.727 3.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.532 12.681 2.673 1.00 0.00 H new ATOM 179 N LYS A 11 2.094 14.683 2.171 1.00 0.00 N ATOM 180 CA LYS A 11 2.383 15.602 3.266 1.00 0.00 C ATOM 181 C LYS A 11 2.521 14.825 4.574 1.00 0.00 C ATOM 182 O LYS A 11 1.693 14.941 5.477 1.00 0.00 O ATOM 183 CB LYS A 11 1.291 16.666 3.391 1.00 0.00 C ATOM 184 CG LYS A 11 0.699 17.097 2.056 1.00 0.00 C ATOM 185 CD LYS A 11 1.672 17.957 1.265 1.00 0.00 C ATOM 186 CE LYS A 11 1.111 18.321 -0.100 1.00 0.00 C ATOM 187 NZ LYS A 11 0.581 19.712 -0.131 1.00 0.00 N ATOM 0 H LYS A 11 1.221 14.166 2.272 1.00 0.00 H new ATOM 0 HA LYS A 11 3.324 16.109 3.052 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.492 16.281 4.025 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.704 17.540 3.894 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.435 16.215 1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.222 17.653 2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.892 18.867 1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.614 17.423 1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.891 18.213 -0.853 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.316 17.624 -0.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.208 19.920 -1.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.181 19.809 0.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.346 20.380 0.095 1.00 0.00 H new ATOM 201 N ALA A 12 3.590 14.041 4.654 1.00 0.00 N ATOM 202 CA ALA A 12 3.895 13.228 5.829 1.00 0.00 C ATOM 203 C ALA A 12 2.681 12.464 6.368 1.00 0.00 C ATOM 204 O ALA A 12 2.091 12.850 7.375 1.00 0.00 O ATOM 205 CB ALA A 12 4.496 14.097 6.924 1.00 0.00 C ATOM 0 H ALA A 12 4.274 13.950 3.903 1.00 0.00 H new ATOM 0 HA ALA A 12 4.618 12.477 5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.720 13.481 7.795 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.414 14.558 6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.785 14.875 7.202 1.00 0.00 H new ATOM 211 N GLY A 13 2.339 11.356 5.707 1.00 0.00 N ATOM 212 CA GLY A 13 1.226 10.524 6.142 1.00 0.00 C ATOM 213 C GLY A 13 -0.034 11.301 6.470 1.00 0.00 C ATOM 214 O GLY A 13 -0.162 11.859 7.560 1.00 0.00 O ATOM 0 H GLY A 13 2.818 11.019 4.872 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.000 9.799 5.360 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.531 9.958 7.022 1.00 0.00 H new ATOM 218 N LYS A 14 -0.972 11.322 5.530 1.00 0.00 N ATOM 219 CA LYS A 14 -2.235 12.021 5.735 1.00 0.00 C ATOM 220 C LYS A 14 -3.345 11.474 4.828 1.00 0.00 C ATOM 221 O LYS A 14 -3.958 10.450 5.130 1.00 0.00 O ATOM 222 CB LYS A 14 -2.059 13.523 5.510 1.00 0.00 C ATOM 223 CG LYS A 14 -1.176 13.862 4.327 1.00 0.00 C ATOM 224 CD LYS A 14 -1.642 15.131 3.626 1.00 0.00 C ATOM 225 CE LYS A 14 -1.853 16.276 4.609 1.00 0.00 C ATOM 226 NZ LYS A 14 -1.942 17.593 3.919 1.00 0.00 N ATOM 0 H LYS A 14 -0.883 10.865 4.622 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.538 11.849 6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.039 13.977 5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.634 13.969 6.409 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.147 13.989 4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.180 13.033 3.620 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.905 15.425 2.879 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.573 14.932 3.095 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.766 16.102 5.178 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.031 16.296 5.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.736 18.138 4.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.057 18.120 4.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.095 17.442 2.902 1.00 0.00 H new ATOM 240 N GLU A 15 -3.608 12.177 3.727 1.00 0.00 N ATOM 241 CA GLU A 15 -4.644 11.802 2.777 1.00 0.00 C ATOM 242 C GLU A 15 -4.305 10.528 2.001 1.00 0.00 C ATOM 243 O GLU A 15 -5.127 10.044 1.225 1.00 0.00 O ATOM 244 CB GLU A 15 -4.915 12.961 1.820 1.00 0.00 C ATOM 245 CG GLU A 15 -5.918 13.966 2.362 1.00 0.00 C ATOM 246 CD GLU A 15 -5.891 15.280 1.607 1.00 0.00 C ATOM 247 OE1 GLU A 15 -4.802 15.886 1.511 1.00 0.00 O ATOM 248 OE2 GLU A 15 -6.957 15.703 1.112 1.00 0.00 O ATOM 0 H GLU A 15 -3.104 13.026 3.472 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.545 11.583 3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.977 13.473 1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.284 12.564 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.920 13.540 2.307 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.708 14.152 3.415 1.00 0.00 H new ATOM 255 N LEU A 16 -3.099 9.981 2.187 1.00 0.00 N ATOM 256 CA LEU A 16 -2.712 8.762 1.468 1.00 0.00 C ATOM 257 C LEU A 16 -3.852 7.744 1.523 1.00 0.00 C ATOM 258 O LEU A 16 -4.057 6.969 0.589 1.00 0.00 O ATOM 259 CB LEU A 16 -1.440 8.160 2.073 1.00 0.00 C ATOM 260 CG LEU A 16 -0.167 8.372 1.249 1.00 0.00 C ATOM 261 CD1 LEU A 16 1.062 8.011 2.069 1.00 0.00 C ATOM 262 CD2 LEU A 16 -0.212 7.551 -0.030 1.00 0.00 C ATOM 0 H LEU A 16 -2.387 10.353 2.815 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.510 9.019 0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.289 8.589 3.064 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.592 7.089 2.209 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.106 9.426 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.958 8.167 1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.105 8.642 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.004 6.965 2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.702 7.716 -0.601 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.298 6.493 0.219 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.072 7.854 -0.627 1.00 0.00 H new ATOM 274 N GLY A 17 -4.611 7.802 2.615 1.00 0.00 N ATOM 275 CA GLY A 17 -5.766 6.943 2.815 1.00 0.00 C ATOM 276 C GLY A 17 -5.741 5.628 2.055 1.00 0.00 C ATOM 277 O GLY A 17 -6.615 5.368 1.230 1.00 0.00 O ATOM 0 H GLY A 17 -4.439 8.448 3.385 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.856 6.726 3.879 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.661 7.493 2.525 1.00 0.00 H new ATOM 281 N LEU A 18 -4.764 4.789 2.354 1.00 0.00 N ATOM 282 CA LEU A 18 -4.665 3.486 1.714 1.00 0.00 C ATOM 283 C LEU A 18 -4.097 2.463 2.687 1.00 0.00 C ATOM 284 O LEU A 18 -2.883 2.295 2.798 1.00 0.00 O ATOM 285 CB LEU A 18 -3.807 3.557 0.451 1.00 0.00 C ATOM 286 CG LEU A 18 -2.546 4.415 0.568 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.348 3.561 0.958 1.00 0.00 C ATOM 288 CD2 LEU A 18 -2.281 5.149 -0.741 1.00 0.00 C ATOM 0 H LEU A 18 -4.029 4.985 3.034 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.668 3.174 1.421 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.514 2.545 0.173 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.418 3.947 -0.363 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.704 5.155 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.462 4.191 1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.539 3.083 1.919 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.184 2.796 0.199 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.381 5.755 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.144 4.424 -1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.128 5.793 -0.975 1.00 0.00 H new ATOM 300 N SER A 19 -4.990 1.782 3.398 1.00 0.00 N ATOM 301 CA SER A 19 -4.585 0.777 4.371 1.00 0.00 C ATOM 302 C SER A 19 -3.795 -0.334 3.695 1.00 0.00 C ATOM 303 O SER A 19 -4.323 -1.062 2.854 1.00 0.00 O ATOM 304 CB SER A 19 -5.812 0.203 5.084 1.00 0.00 C ATOM 305 OG SER A 19 -5.575 -1.121 5.537 1.00 0.00 O ATOM 0 H SER A 19 -5.999 1.909 3.318 1.00 0.00 H new ATOM 0 HA SER A 19 -3.943 1.253 5.112 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.073 0.838 5.931 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.665 0.210 4.406 1.00 0.00 H new ATOM 0 HG SER A 19 -6.418 -1.520 5.838 1.00 0.00 H new ATOM 311 N LEU A 20 -2.525 -0.453 4.062 1.00 0.00 N ATOM 312 CA LEU A 20 -1.652 -1.467 3.483 1.00 0.00 C ATOM 313 C LEU A 20 -1.560 -2.697 4.380 1.00 0.00 C ATOM 314 O LEU A 20 -1.916 -2.653 5.558 1.00 0.00 O ATOM 315 CB LEU A 20 -0.257 -0.888 3.249 1.00 0.00 C ATOM 316 CG LEU A 20 -0.225 0.391 2.416 1.00 0.00 C ATOM 317 CD1 LEU A 20 1.207 0.868 2.222 1.00 0.00 C ATOM 318 CD2 LEU A 20 -0.904 0.164 1.074 1.00 0.00 C ATOM 0 H LEU A 20 -2.076 0.141 4.759 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.081 -1.774 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.204 -0.687 4.216 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.356 -1.642 2.755 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.771 1.168 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.209 1.781 1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.659 1.068 3.194 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.781 0.097 1.707 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.874 1.084 0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.384 -0.626 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.941 -0.129 1.236 1.00 0.00 H new ATOM 330 N SER A 21 -1.076 -3.794 3.808 1.00 0.00 N ATOM 331 CA SER A 21 -0.926 -5.044 4.543 1.00 0.00 C ATOM 332 C SER A 21 0.363 -5.754 4.133 1.00 0.00 C ATOM 333 O SER A 21 0.988 -5.391 3.139 1.00 0.00 O ATOM 334 CB SER A 21 -2.135 -5.952 4.298 1.00 0.00 C ATOM 335 OG SER A 21 -2.777 -6.286 5.516 1.00 0.00 O ATOM 0 H SER A 21 -0.780 -3.842 2.833 1.00 0.00 H new ATOM 0 HA SER A 21 -0.871 -4.816 5.607 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.842 -5.451 3.636 1.00 0.00 H new ATOM 0 HB3 SER A 21 -1.814 -6.862 3.791 1.00 0.00 H new ATOM 0 HG SER A 21 -3.546 -6.865 5.332 1.00 0.00 H new ATOM 341 N PRO A 22 0.785 -6.773 4.902 1.00 0.00 N ATOM 342 CA PRO A 22 2.013 -7.522 4.609 1.00 0.00 C ATOM 343 C PRO A 22 1.876 -8.420 3.384 1.00 0.00 C ATOM 344 O PRO A 22 0.924 -9.192 3.270 1.00 0.00 O ATOM 345 CB PRO A 22 2.219 -8.365 5.870 1.00 0.00 C ATOM 346 CG PRO A 22 0.854 -8.532 6.441 1.00 0.00 C ATOM 347 CD PRO A 22 0.106 -7.269 6.114 1.00 0.00 C ATOM 0 HA PRO A 22 2.847 -6.859 4.377 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.669 -9.329 5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.885 -7.867 6.575 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.356 -9.402 6.012 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.899 -8.690 7.519 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.951 -7.464 5.931 1.00 0.00 H new ATOM 0 HD3 PRO A 22 0.161 -6.547 6.929 1.00 0.00 H new ATOM 355 N ASN A 23 2.839 -8.318 2.470 1.00 0.00 N ATOM 356 CA ASN A 23 2.831 -9.126 1.254 1.00 0.00 C ATOM 357 C ASN A 23 4.242 -9.588 0.898 1.00 0.00 C ATOM 358 O ASN A 23 5.229 -9.038 1.387 1.00 0.00 O ATOM 359 CB ASN A 23 2.226 -8.340 0.086 1.00 0.00 C ATOM 360 CG ASN A 23 1.014 -9.032 -0.506 1.00 0.00 C ATOM 361 OD1 ASN A 23 0.867 -9.114 -1.725 1.00 0.00 O ATOM 362 ND2 ASN A 23 0.140 -9.537 0.358 1.00 0.00 N ATOM 0 H ASN A 23 3.634 -7.684 2.549 1.00 0.00 H new ATOM 0 HA ASN A 23 2.215 -10.006 1.441 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.942 -7.345 0.429 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.981 -8.207 -0.689 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.694 -10.016 0.019 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.303 -9.445 1.361 1.00 0.00 H new ATOM 369 N GLU A 24 4.326 -10.605 0.047 1.00 0.00 N ATOM 370 CA GLU A 24 5.613 -11.150 -0.376 1.00 0.00 C ATOM 371 C GLU A 24 6.239 -10.301 -1.479 1.00 0.00 C ATOM 372 O GLU A 24 7.460 -10.278 -1.638 1.00 0.00 O ATOM 373 CB GLU A 24 5.438 -12.586 -0.871 1.00 0.00 C ATOM 374 CG GLU A 24 4.407 -12.725 -1.980 1.00 0.00 C ATOM 375 CD GLU A 24 3.380 -13.802 -1.689 1.00 0.00 C ATOM 376 OE1 GLU A 24 3.663 -14.985 -1.975 1.00 0.00 O ATOM 377 OE2 GLU A 24 2.294 -13.464 -1.176 1.00 0.00 O ATOM 0 H GLU A 24 3.517 -11.070 -0.365 1.00 0.00 H new ATOM 0 HA GLU A 24 6.280 -11.139 0.486 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.398 -12.958 -1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.145 -13.218 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.898 -11.771 -2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.915 -12.956 -2.916 1.00 0.00 H new ATOM 384 N ILE A 25 5.400 -9.613 -2.241 1.00 0.00 N ATOM 385 CA ILE A 25 5.870 -8.769 -3.334 1.00 0.00 C ATOM 386 C ILE A 25 5.755 -7.285 -2.995 1.00 0.00 C ATOM 387 O ILE A 25 6.225 -6.431 -3.746 1.00 0.00 O ATOM 388 CB ILE A 25 5.086 -9.049 -4.627 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.588 -8.797 -4.404 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.343 -10.476 -5.089 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.693 -9.433 -5.445 1.00 0.00 C ATOM 0 H ILE A 25 4.387 -9.622 -2.123 1.00 0.00 H new ATOM 0 HA ILE A 25 6.921 -9.014 -3.485 1.00 0.00 H new ATOM 0 HB ILE A 25 5.427 -8.371 -5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.309 -9.176 -3.421 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.409 -7.722 -4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.785 -10.668 -6.005 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.408 -10.611 -5.278 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.021 -11.173 -4.315 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.651 -9.208 -5.216 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.942 -9.037 -6.430 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.840 -10.513 -5.441 1.00 0.00 H new ATOM 403 N GLY A 26 5.131 -6.985 -1.863 1.00 0.00 N ATOM 404 CA GLY A 26 4.969 -5.606 -1.448 1.00 0.00 C ATOM 405 C GLY A 26 4.004 -5.476 -0.291 1.00 0.00 C ATOM 406 O GLY A 26 4.176 -6.124 0.742 1.00 0.00 O ATOM 0 H GLY A 26 4.734 -7.674 -1.224 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.938 -5.197 -1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.609 -5.013 -2.289 1.00 0.00 H new ATOM 410 N CYS A 27 2.984 -4.647 -0.462 1.00 0.00 N ATOM 411 CA CYS A 27 1.991 -4.453 0.585 1.00 0.00 C ATOM 412 C CYS A 27 0.588 -4.341 -0.001 1.00 0.00 C ATOM 413 O CYS A 27 0.226 -3.319 -0.584 1.00 0.00 O ATOM 414 CB CYS A 27 2.318 -3.205 1.406 1.00 0.00 C ATOM 415 SG CYS A 27 2.428 -1.687 0.429 1.00 0.00 S ATOM 0 H CYS A 27 2.823 -4.102 -1.309 1.00 0.00 H new ATOM 0 HA CYS A 27 2.019 -5.325 1.238 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.554 -3.077 2.172 1.00 0.00 H new ATOM 0 HB3 CYS A 27 3.265 -3.361 1.923 1.00 0.00 H new ATOM 0 HG CYS A 27 3.302 -0.888 0.965 1.00 0.00 H new ATOM 421 N THR A 28 -0.201 -5.397 0.168 1.00 0.00 N ATOM 422 CA THR A 28 -1.569 -5.420 -0.335 1.00 0.00 C ATOM 423 C THR A 28 -2.424 -4.395 0.400 1.00 0.00 C ATOM 424 O THR A 28 -2.376 -4.298 1.626 1.00 0.00 O ATOM 425 CB THR A 28 -2.178 -6.814 -0.169 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.412 -7.785 -0.863 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.605 -6.909 -0.667 1.00 0.00 C ATOM 0 H THR A 28 0.084 -6.249 0.650 1.00 0.00 H new ATOM 0 HA THR A 28 -1.546 -5.168 -1.395 1.00 0.00 H new ATOM 0 HB THR A 28 -2.173 -7.003 0.904 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.012 -8.429 -1.293 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.975 -7.924 -0.519 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.231 -6.210 -0.113 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.637 -6.662 -1.728 1.00 0.00 H new ATOM 435 N ILE A 29 -3.211 -3.636 -0.353 1.00 0.00 N ATOM 436 CA ILE A 29 -4.075 -2.626 0.238 1.00 0.00 C ATOM 437 C ILE A 29 -5.291 -3.276 0.889 1.00 0.00 C ATOM 438 O ILE A 29 -6.216 -3.713 0.204 1.00 0.00 O ATOM 439 CB ILE A 29 -4.546 -1.601 -0.813 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.341 -0.966 -1.512 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.414 -0.530 -0.166 1.00 0.00 C ATOM 442 CD1 ILE A 29 -3.690 -0.289 -2.820 1.00 0.00 C ATOM 0 H ILE A 29 -3.268 -3.701 -1.369 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.491 -2.103 0.996 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.146 -2.121 -1.559 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.887 -0.235 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.592 -1.736 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.736 0.184 -0.924 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.288 -0.996 0.289 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.840 -0.010 0.601 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.789 0.139 -3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.117 -1.021 -3.506 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.416 0.503 -2.637 1.00 0.00 H new ATOM 454 N ALA A 30 -5.280 -3.335 2.215 1.00 0.00 N ATOM 455 CA ALA A 30 -6.378 -3.930 2.960 1.00 0.00 C ATOM 456 C ALA A 30 -7.623 -3.055 2.889 1.00 0.00 C ATOM 457 O ALA A 30 -8.746 -3.547 3.002 1.00 0.00 O ATOM 458 CB ALA A 30 -5.970 -4.159 4.408 1.00 0.00 C ATOM 0 H ALA A 30 -4.521 -2.977 2.795 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.616 -4.892 2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.801 -4.605 4.954 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.112 -4.830 4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.704 -3.206 4.866 1.00 0.00 H new ATOM 464 N ASP A 31 -7.422 -1.753 2.700 1.00 0.00 N ATOM 465 CA ASP A 31 -8.535 -0.815 2.615 1.00 0.00 C ATOM 466 C ASP A 31 -8.109 0.487 1.950 1.00 0.00 C ATOM 467 O ASP A 31 -6.923 0.730 1.733 1.00 0.00 O ATOM 468 CB ASP A 31 -9.087 -0.517 4.009 1.00 0.00 C ATOM 469 CG ASP A 31 -10.366 -1.279 4.300 1.00 0.00 C ATOM 470 OD1 ASP A 31 -10.280 -2.484 4.614 1.00 0.00 O ATOM 471 OD2 ASP A 31 -11.452 -0.668 4.213 1.00 0.00 O ATOM 0 H ASP A 31 -6.501 -1.326 2.603 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.312 -1.278 2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.336 -0.774 4.756 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.276 0.553 4.101 1.00 0.00 H new ATOM 476 N LEU A 32 -9.090 1.324 1.634 1.00 0.00 N ATOM 477 CA LEU A 32 -8.829 2.597 1.001 1.00 0.00 C ATOM 478 C LEU A 32 -9.935 3.601 1.302 1.00 0.00 C ATOM 479 O LEU A 32 -11.111 3.346 1.040 1.00 0.00 O ATOM 480 CB LEU A 32 -8.680 2.411 -0.507 1.00 0.00 C ATOM 481 CG LEU A 32 -7.398 2.994 -1.078 1.00 0.00 C ATOM 482 CD1 LEU A 32 -6.598 1.928 -1.815 1.00 0.00 C ATOM 483 CD2 LEU A 32 -7.699 4.172 -1.992 1.00 0.00 C ATOM 0 H LEU A 32 -10.077 1.136 1.810 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.898 2.993 1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.717 1.346 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.531 2.874 -1.006 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.793 3.356 -0.247 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.685 2.370 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.341 1.124 -1.125 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.195 1.526 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.766 4.573 -2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.331 3.841 -2.816 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.216 4.948 -1.427 1.00 0.00 H new ATOM 495 N ILE A 33 -9.544 4.748 1.844 1.00 0.00 N ATOM 496 CA ILE A 33 -10.495 5.801 2.170 1.00 0.00 C ATOM 497 C ILE A 33 -10.549 6.827 1.046 1.00 0.00 C ATOM 498 O ILE A 33 -9.678 7.688 0.930 1.00 0.00 O ATOM 499 CB ILE A 33 -10.139 6.508 3.496 1.00 0.00 C ATOM 500 CG1 ILE A 33 -8.677 6.955 3.500 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.430 5.609 4.676 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.194 7.438 4.850 1.00 0.00 C ATOM 0 H ILE A 33 -8.574 4.972 2.067 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.471 5.331 2.289 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.763 7.397 3.584 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.051 6.124 3.176 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.548 7.754 2.770 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.172 6.126 5.600 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.490 5.354 4.687 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.838 4.697 4.593 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.149 7.738 4.776 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.795 8.290 5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.290 6.634 5.580 1.00 0.00 H new ATOM 514 N GLN A 34 -11.573 6.719 0.211 1.00 0.00 N ATOM 515 CA GLN A 34 -11.740 7.626 -0.916 1.00 0.00 C ATOM 516 C GLN A 34 -12.084 9.031 -0.439 1.00 0.00 C ATOM 517 O GLN A 34 -12.635 9.215 0.646 1.00 0.00 O ATOM 518 CB GLN A 34 -12.821 7.099 -1.859 1.00 0.00 C ATOM 519 CG GLN A 34 -12.496 5.731 -2.437 1.00 0.00 C ATOM 520 CD GLN A 34 -13.554 5.240 -3.406 1.00 0.00 C ATOM 521 OE1 GLN A 34 -14.630 5.827 -3.518 1.00 0.00 O ATOM 522 NE2 GLN A 34 -13.253 4.156 -4.113 1.00 0.00 N ATOM 0 H GLN A 34 -12.302 6.011 0.293 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.796 7.678 -1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.768 7.044 -1.321 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.959 7.808 -2.675 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.534 5.776 -2.948 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.392 5.013 -1.624 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.349 3.701 -3.988 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.926 3.779 -4.780 1.00 0.00 H new ATOM 531 N GLY A 35 -11.737 10.023 -1.252 1.00 0.00 N ATOM 532 CA GLY A 35 -11.998 11.405 -0.890 1.00 0.00 C ATOM 533 C GLY A 35 -10.784 12.061 -0.261 1.00 0.00 C ATOM 534 O GLY A 35 -10.648 13.284 -0.277 1.00 0.00 O ATOM 0 H GLY A 35 -11.280 9.895 -2.155 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.294 11.964 -1.778 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.835 11.446 -0.193 1.00 0.00 H new ATOM 538 N GLN A 36 -9.896 11.237 0.291 1.00 0.00 N ATOM 539 CA GLN A 36 -8.680 11.724 0.926 1.00 0.00 C ATOM 540 C GLN A 36 -7.735 12.329 -0.106 1.00 0.00 C ATOM 541 O GLN A 36 -7.209 13.423 0.088 1.00 0.00 O ATOM 542 CB GLN A 36 -8.001 10.582 1.688 1.00 0.00 C ATOM 543 CG GLN A 36 -8.442 10.466 3.135 1.00 0.00 C ATOM 544 CD GLN A 36 -9.840 9.897 3.275 1.00 0.00 C ATOM 545 OE1 GLN A 36 -10.506 9.603 2.282 1.00 0.00 O ATOM 546 NE2 GLN A 36 -10.294 9.737 4.512 1.00 0.00 N ATOM 0 H GLN A 36 -10.000 10.222 0.310 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.942 12.510 1.634 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.210 9.642 1.177 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -6.921 10.728 1.657 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.740 9.831 3.675 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.406 11.450 3.602 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -9.709 9.994 5.307 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.228 9.357 4.667 1.00 0.00 H new ATOM 555 N TYR A 37 -7.535 11.622 -1.209 1.00 0.00 N ATOM 556 CA TYR A 37 -6.663 12.108 -2.271 1.00 0.00 C ATOM 557 C TYR A 37 -7.284 11.837 -3.637 1.00 0.00 C ATOM 558 O TYR A 37 -7.910 10.800 -3.849 1.00 0.00 O ATOM 559 CB TYR A 37 -5.286 11.451 -2.174 1.00 0.00 C ATOM 560 CG TYR A 37 -4.265 12.253 -1.388 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.206 13.638 -1.480 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.340 11.614 -0.570 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.258 14.361 -0.779 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.389 12.328 0.129 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.350 13.701 0.022 1.00 0.00 C ATOM 566 OH TYR A 37 -1.402 14.416 0.717 1.00 0.00 O ATOM 0 H TYR A 37 -7.962 10.714 -1.392 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.543 13.185 -2.152 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.396 10.471 -1.710 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.904 11.286 -3.181 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.912 14.159 -2.110 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.367 10.538 -0.480 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.229 15.438 -0.859 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.678 11.813 0.758 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.595 14.508 0.169 1.00 0.00 H new ATOM 576 N PRO A 38 -7.130 12.781 -4.583 1.00 0.00 N ATOM 577 CA PRO A 38 -7.693 12.646 -5.931 1.00 0.00 C ATOM 578 C PRO A 38 -7.023 11.547 -6.748 1.00 0.00 C ATOM 579 O PRO A 38 -7.699 10.712 -7.350 1.00 0.00 O ATOM 580 CB PRO A 38 -7.435 14.015 -6.562 1.00 0.00 C ATOM 581 CG PRO A 38 -6.278 14.575 -5.811 1.00 0.00 C ATOM 582 CD PRO A 38 -6.409 14.056 -4.408 1.00 0.00 C ATOM 0 HA PRO A 38 -8.745 12.364 -5.900 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.209 13.923 -7.624 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.310 14.660 -6.477 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.334 14.262 -6.257 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.292 15.665 -5.827 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.435 13.907 -3.942 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.963 14.748 -3.773 1.00 0.00 H new ATOM 590 N GLU A 39 -5.695 11.551 -6.776 1.00 0.00 N ATOM 591 CA GLU A 39 -4.949 10.550 -7.532 1.00 0.00 C ATOM 592 C GLU A 39 -5.215 9.150 -6.993 1.00 0.00 C ATOM 593 O GLU A 39 -5.543 8.236 -7.748 1.00 0.00 O ATOM 594 CB GLU A 39 -3.448 10.845 -7.478 1.00 0.00 C ATOM 595 CG GLU A 39 -3.074 12.220 -8.010 1.00 0.00 C ATOM 596 CD GLU A 39 -3.290 12.350 -9.506 1.00 0.00 C ATOM 597 OE1 GLU A 39 -3.936 11.458 -10.094 1.00 0.00 O ATOM 598 OE2 GLU A 39 -2.811 13.346 -10.089 1.00 0.00 O ATOM 0 H GLU A 39 -5.115 12.232 -6.287 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.286 10.596 -8.568 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.107 10.760 -6.446 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.917 10.086 -8.053 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.665 12.977 -7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.028 12.422 -7.780 1.00 0.00 H new ATOM 605 N ILE A 40 -5.066 8.989 -5.683 1.00 0.00 N ATOM 606 CA ILE A 40 -5.290 7.697 -5.043 1.00 0.00 C ATOM 607 C ILE A 40 -6.674 7.149 -5.374 1.00 0.00 C ATOM 608 O ILE A 40 -6.813 5.997 -5.787 1.00 0.00 O ATOM 609 CB ILE A 40 -5.139 7.789 -3.514 1.00 0.00 C ATOM 610 CG1 ILE A 40 -3.871 8.570 -3.146 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.115 6.391 -2.911 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.454 8.411 -1.701 1.00 0.00 C ATOM 0 H ILE A 40 -4.792 9.735 -5.044 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.531 7.019 -5.434 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.993 8.327 -3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.054 8.242 -3.788 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.034 9.628 -3.353 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.008 6.463 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.045 5.876 -3.150 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.275 5.832 -3.322 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.550 8.992 -1.517 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.253 8.767 -1.050 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.258 7.359 -1.493 1.00 0.00 H new ATOM 624 N ASP A 41 -7.696 7.980 -5.192 1.00 0.00 N ATOM 625 CA ASP A 41 -9.067 7.575 -5.475 1.00 0.00 C ATOM 626 C ASP A 41 -9.224 7.207 -6.947 1.00 0.00 C ATOM 627 O ASP A 41 -10.038 6.356 -7.302 1.00 0.00 O ATOM 628 CB ASP A 41 -10.040 8.699 -5.112 1.00 0.00 C ATOM 629 CG ASP A 41 -11.473 8.213 -5.011 1.00 0.00 C ATOM 630 OD1 ASP A 41 -11.676 6.990 -4.856 1.00 0.00 O ATOM 631 OD2 ASP A 41 -12.391 9.056 -5.086 1.00 0.00 O ATOM 0 H ASP A 41 -7.600 8.936 -4.850 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.297 6.699 -4.869 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.741 9.141 -4.162 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.978 9.486 -5.863 1.00 0.00 H new ATOM 636 N SER A 42 -8.432 7.854 -7.796 1.00 0.00 N ATOM 637 CA SER A 42 -8.471 7.600 -9.232 1.00 0.00 C ATOM 638 C SER A 42 -7.364 6.637 -9.651 1.00 0.00 C ATOM 639 O SER A 42 -7.187 6.363 -10.838 1.00 0.00 O ATOM 640 CB SER A 42 -8.323 8.913 -9.999 1.00 0.00 C ATOM 641 OG SER A 42 -9.573 9.561 -10.154 1.00 0.00 O ATOM 0 H SER A 42 -7.753 8.561 -7.513 1.00 0.00 H new ATOM 0 HA SER A 42 -9.433 7.144 -9.467 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.633 9.570 -9.470 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.888 8.717 -10.979 1.00 0.00 H new ATOM 0 HG SER A 42 -9.448 10.399 -10.647 1.00 0.00 H new ATOM 647 N LYS A 43 -6.609 6.139 -8.676 1.00 0.00 N ATOM 648 CA LYS A 43 -5.509 5.228 -8.954 1.00 0.00 C ATOM 649 C LYS A 43 -5.593 3.968 -8.099 1.00 0.00 C ATOM 650 O LYS A 43 -5.906 2.886 -8.596 1.00 0.00 O ATOM 651 CB LYS A 43 -4.179 5.939 -8.699 1.00 0.00 C ATOM 652 CG LYS A 43 -3.848 6.991 -9.745 1.00 0.00 C ATOM 653 CD LYS A 43 -2.492 6.747 -10.391 1.00 0.00 C ATOM 654 CE LYS A 43 -2.630 6.468 -11.879 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.381 6.789 -12.624 1.00 0.00 N ATOM 0 H LYS A 43 -6.741 6.352 -7.687 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.576 4.927 -9.999 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.210 6.411 -7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.379 5.199 -8.672 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.621 6.993 -10.514 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.856 7.978 -9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.853 7.617 -10.240 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.002 5.904 -9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.882 5.418 -12.029 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.455 7.055 -12.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.475 6.475 -13.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.217 7.816 -12.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.577 6.301 -12.181 1.00 0.00 H new ATOM 669 N LEU A 44 -5.292 4.114 -6.813 1.00 0.00 N ATOM 670 CA LEU A 44 -5.316 2.986 -5.889 1.00 0.00 C ATOM 671 C LEU A 44 -6.740 2.596 -5.511 1.00 0.00 C ATOM 672 O LEU A 44 -7.623 3.447 -5.399 1.00 0.00 O ATOM 673 CB LEU A 44 -4.512 3.323 -4.633 1.00 0.00 C ATOM 674 CG LEU A 44 -3.048 3.678 -4.888 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.346 4.035 -3.588 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.340 2.524 -5.582 1.00 0.00 C ATOM 0 H LEU A 44 -5.029 5.002 -6.387 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.863 2.133 -6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.991 4.160 -4.125 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.552 2.472 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.012 4.550 -5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.305 4.284 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.841 4.892 -3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.388 3.185 -2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.298 2.790 -5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.387 1.636 -4.951 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.828 2.318 -6.535 1.00 0.00 H new ATOM 688 N GLN A 45 -6.948 1.299 -5.312 1.00 0.00 N ATOM 689 CA GLN A 45 -8.256 0.773 -4.942 1.00 0.00 C ATOM 690 C GLN A 45 -8.105 -0.509 -4.128 1.00 0.00 C ATOM 691 O GLN A 45 -7.039 -1.125 -4.116 1.00 0.00 O ATOM 692 CB GLN A 45 -9.097 0.506 -6.194 1.00 0.00 C ATOM 693 CG GLN A 45 -10.319 1.402 -6.308 1.00 0.00 C ATOM 694 CD GLN A 45 -10.564 1.876 -7.727 1.00 0.00 C ATOM 695 OE1 GLN A 45 -10.899 1.085 -8.609 1.00 0.00 O ATOM 696 NE2 GLN A 45 -10.397 3.174 -7.956 1.00 0.00 N ATOM 0 H GLN A 45 -6.222 0.589 -5.402 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.765 1.517 -4.330 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.473 0.643 -7.077 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -9.419 -0.535 -6.190 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.196 0.861 -5.953 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.193 2.267 -5.657 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.119 3.794 -7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.547 3.550 -8.892 1.00 0.00 H new ATOM 705 N ARG A 46 -9.174 -0.905 -3.447 1.00 0.00 N ATOM 706 CA ARG A 46 -9.152 -2.113 -2.629 1.00 0.00 C ATOM 707 C ARG A 46 -8.823 -3.339 -3.474 1.00 0.00 C ATOM 708 O ARG A 46 -9.623 -3.767 -4.306 1.00 0.00 O ATOM 709 CB ARG A 46 -10.502 -2.309 -1.934 1.00 0.00 C ATOM 710 CG ARG A 46 -10.606 -1.592 -0.598 1.00 0.00 C ATOM 711 CD ARG A 46 -11.746 -2.145 0.243 1.00 0.00 C ATOM 712 NE ARG A 46 -12.936 -1.299 0.179 1.00 0.00 N ATOM 713 CZ ARG A 46 -14.158 -1.712 0.506 1.00 0.00 C ATOM 714 NH1 ARG A 46 -14.356 -2.957 0.923 1.00 0.00 N ATOM 715 NH2 ARG A 46 -15.185 -0.878 0.419 1.00 0.00 N ATOM 0 H ARG A 46 -10.065 -0.409 -3.444 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.374 -1.994 -1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.295 -1.953 -2.591 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.671 -3.375 -1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -9.667 -1.696 -0.054 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -10.760 -0.526 -0.767 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.996 -3.149 -0.101 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -11.421 -2.235 1.279 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.823 -0.335 -0.135 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.569 -3.602 0.994 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.295 -3.268 1.172 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.038 0.080 0.101 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.122 -1.195 0.670 1.00 0.00 H new ATOM 729 N GLY A 47 -7.638 -3.902 -3.254 1.00 0.00 N ATOM 730 CA GLY A 47 -7.222 -5.075 -4.002 1.00 0.00 C ATOM 731 C GLY A 47 -6.013 -4.811 -4.879 1.00 0.00 C ATOM 732 O GLY A 47 -5.998 -5.184 -6.053 1.00 0.00 O ATOM 0 H GLY A 47 -6.959 -3.567 -2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.992 -5.882 -3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.049 -5.417 -4.624 1.00 0.00 H new ATOM 736 N ASP A 48 -5.000 -4.168 -4.310 1.00 0.00 N ATOM 737 CA ASP A 48 -3.780 -3.856 -5.049 1.00 0.00 C ATOM 738 C ASP A 48 -2.559 -3.968 -4.145 1.00 0.00 C ATOM 739 O ASP A 48 -2.594 -3.564 -2.984 1.00 0.00 O ATOM 740 CB ASP A 48 -3.866 -2.450 -5.646 1.00 0.00 C ATOM 741 CG ASP A 48 -4.193 -2.468 -7.126 1.00 0.00 C ATOM 742 OD1 ASP A 48 -5.315 -2.885 -7.480 1.00 0.00 O ATOM 743 OD2 ASP A 48 -3.327 -2.063 -7.931 1.00 0.00 O ATOM 0 H ASP A 48 -4.998 -3.852 -3.340 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.677 -4.578 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.628 -1.879 -5.116 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.918 -1.935 -5.493 1.00 0.00 H new ATOM 748 N ILE A 49 -1.480 -4.526 -4.682 1.00 0.00 N ATOM 749 CA ILE A 49 -0.250 -4.698 -3.918 1.00 0.00 C ATOM 750 C ILE A 49 0.864 -3.811 -4.459 1.00 0.00 C ATOM 751 O ILE A 49 1.291 -3.964 -5.602 1.00 0.00 O ATOM 752 CB ILE A 49 0.232 -6.164 -3.937 1.00 0.00 C ATOM 753 CG1 ILE A 49 -0.956 -7.133 -3.910 1.00 0.00 C ATOM 754 CG2 ILE A 49 1.169 -6.427 -2.769 1.00 0.00 C ATOM 755 CD1 ILE A 49 -0.960 -8.114 -5.061 1.00 0.00 C ATOM 0 H ILE A 49 -1.432 -4.867 -5.642 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.480 -4.411 -2.892 1.00 0.00 H new ATOM 0 HB ILE A 49 0.779 -6.332 -4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.942 -7.687 -2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.883 -6.560 -3.928 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.501 -7.465 -2.795 1.00 0.00 H new ATOM 0 HG22 ILE A 49 2.034 -5.768 -2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.645 -6.237 -1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.828 -8.768 -4.978 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.005 -7.569 -6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.050 -8.713 -5.032 1.00 0.00 H new ATOM 767 N ILE A 50 1.339 -2.889 -3.627 1.00 0.00 N ATOM 768 CA ILE A 50 2.412 -1.989 -4.028 1.00 0.00 C ATOM 769 C ILE A 50 3.753 -2.707 -3.996 1.00 0.00 C ATOM 770 O ILE A 50 4.351 -2.887 -2.936 1.00 0.00 O ATOM 771 CB ILE A 50 2.482 -0.747 -3.117 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.105 -0.098 -2.997 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.500 0.251 -3.654 1.00 0.00 C ATOM 774 CD1 ILE A 50 0.803 0.414 -1.610 1.00 0.00 C ATOM 0 H ILE A 50 0.999 -2.747 -2.676 1.00 0.00 H new ATOM 0 HA ILE A 50 2.194 -1.663 -5.045 1.00 0.00 H new ATOM 0 HB ILE A 50 2.802 -1.062 -2.124 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.038 0.729 -3.704 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.343 -0.824 -3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.537 1.122 -2.999 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.484 -0.217 -3.691 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.209 0.564 -4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.190 0.862 -1.596 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.838 -0.413 -0.901 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.543 1.163 -1.330 1.00 0.00 H new ATOM 786 N THR A 51 4.219 -3.119 -5.169 1.00 0.00 N ATOM 787 CA THR A 51 5.491 -3.825 -5.281 1.00 0.00 C ATOM 788 C THR A 51 6.616 -2.874 -5.691 1.00 0.00 C ATOM 789 O THR A 51 7.688 -3.309 -6.111 1.00 0.00 O ATOM 790 CB THR A 51 5.376 -4.969 -6.291 1.00 0.00 C ATOM 791 OG1 THR A 51 5.439 -4.478 -7.617 1.00 0.00 O ATOM 792 CG2 THR A 51 4.093 -5.762 -6.154 1.00 0.00 C ATOM 0 H THR A 51 3.736 -2.977 -6.056 1.00 0.00 H new ATOM 0 HA THR A 51 5.734 -4.237 -4.302 1.00 0.00 H new ATOM 0 HB THR A 51 6.217 -5.629 -6.076 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.365 -5.225 -8.246 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.075 -6.557 -6.899 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.040 -6.198 -5.157 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.239 -5.102 -6.307 1.00 0.00 H new ATOM 800 N LYS A 52 6.364 -1.575 -5.556 1.00 0.00 N ATOM 801 CA LYS A 52 7.347 -0.557 -5.899 1.00 0.00 C ATOM 802 C LYS A 52 6.970 0.770 -5.253 1.00 0.00 C ATOM 803 O LYS A 52 5.816 1.195 -5.316 1.00 0.00 O ATOM 804 CB LYS A 52 7.451 -0.393 -7.417 1.00 0.00 C ATOM 805 CG LYS A 52 8.743 -0.941 -8.000 1.00 0.00 C ATOM 806 CD LYS A 52 9.266 -0.059 -9.124 1.00 0.00 C ATOM 807 CE LYS A 52 10.720 -0.366 -9.441 1.00 0.00 C ATOM 808 NZ LYS A 52 11.272 0.555 -10.475 1.00 0.00 N ATOM 0 H LYS A 52 5.480 -1.203 -5.209 1.00 0.00 H new ATOM 0 HA LYS A 52 8.319 -0.874 -5.521 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.607 -0.897 -7.887 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.369 0.665 -7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.495 -1.015 -7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.574 -1.950 -8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.659 -0.207 -10.017 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.167 0.989 -8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.314 -0.287 -8.531 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.806 -1.395 -9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.266 0.311 -10.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.722 0.462 -11.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.214 1.535 -10.133 1.00 0.00 H new ATOM 822 N PHE A 53 7.942 1.415 -4.622 1.00 0.00 N ATOM 823 CA PHE A 53 7.698 2.686 -3.955 1.00 0.00 C ATOM 824 C PHE A 53 8.821 3.678 -4.238 1.00 0.00 C ATOM 825 O PHE A 53 9.938 3.528 -3.741 1.00 0.00 O ATOM 826 CB PHE A 53 7.554 2.457 -2.451 1.00 0.00 C ATOM 827 CG PHE A 53 7.311 3.708 -1.664 1.00 0.00 C ATOM 828 CD1 PHE A 53 8.372 4.464 -1.195 1.00 0.00 C ATOM 829 CD2 PHE A 53 6.020 4.124 -1.385 1.00 0.00 C ATOM 830 CE1 PHE A 53 8.149 5.613 -0.463 1.00 0.00 C ATOM 831 CE2 PHE A 53 5.791 5.271 -0.654 1.00 0.00 C ATOM 832 CZ PHE A 53 6.857 6.017 -0.192 1.00 0.00 C ATOM 0 H PHE A 53 8.903 1.080 -4.558 1.00 0.00 H new ATOM 0 HA PHE A 53 6.773 3.111 -4.344 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.730 1.765 -2.277 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.459 1.976 -2.079 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.384 4.152 -1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.183 3.544 -1.744 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.984 6.195 -0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.779 5.585 -0.443 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.680 6.915 0.381 1.00 0.00 H new ATOM 842 N ASN A 54 8.516 4.693 -5.042 1.00 0.00 N ATOM 843 CA ASN A 54 9.495 5.714 -5.397 1.00 0.00 C ATOM 844 C ASN A 54 10.745 5.081 -6.002 1.00 0.00 C ATOM 845 O ASN A 54 11.863 5.330 -5.551 1.00 0.00 O ATOM 846 CB ASN A 54 9.870 6.542 -4.165 1.00 0.00 C ATOM 847 CG ASN A 54 8.948 7.728 -3.963 1.00 0.00 C ATOM 848 OD1 ASN A 54 9.319 8.869 -4.236 1.00 0.00 O ATOM 849 ND2 ASN A 54 7.739 7.464 -3.482 1.00 0.00 N ATOM 0 H ASN A 54 7.596 4.830 -5.460 1.00 0.00 H new ATOM 0 HA ASN A 54 9.046 6.370 -6.142 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.839 5.906 -3.280 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.896 6.896 -4.267 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.076 8.223 -3.325 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.473 6.502 -3.269 1.00 0.00 H new ATOM 856 N GLY A 55 10.545 4.254 -7.023 1.00 0.00 N ATOM 857 CA GLY A 55 11.662 3.593 -7.671 1.00 0.00 C ATOM 858 C GLY A 55 12.351 2.595 -6.758 1.00 0.00 C ATOM 859 O GLY A 55 13.482 2.185 -7.018 1.00 0.00 O ATOM 0 H GLY A 55 9.629 4.030 -7.413 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.308 3.080 -8.565 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.384 4.341 -7.998 1.00 0.00 H new ATOM 863 N ASP A 56 11.664 2.201 -5.688 1.00 0.00 N ATOM 864 CA ASP A 56 12.214 1.244 -4.735 1.00 0.00 C ATOM 865 C ASP A 56 11.320 0.013 -4.633 1.00 0.00 C ATOM 866 O ASP A 56 10.266 0.050 -4.000 1.00 0.00 O ATOM 867 CB ASP A 56 12.368 1.892 -3.359 1.00 0.00 C ATOM 868 CG ASP A 56 13.504 1.286 -2.559 1.00 0.00 C ATOM 869 OD1 ASP A 56 14.673 1.630 -2.834 1.00 0.00 O ATOM 870 OD2 ASP A 56 13.226 0.467 -1.658 1.00 0.00 O ATOM 0 H ASP A 56 10.726 2.530 -5.461 1.00 0.00 H new ATOM 0 HA ASP A 56 13.196 0.933 -5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.543 2.961 -3.481 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.437 1.783 -2.803 1.00 0.00 H new ATOM 875 N ALA A 57 11.748 -1.076 -5.262 1.00 0.00 N ATOM 876 CA ALA A 57 10.984 -2.319 -5.246 1.00 0.00 C ATOM 877 C ALA A 57 10.695 -2.777 -3.821 1.00 0.00 C ATOM 878 O ALA A 57 11.614 -3.024 -3.037 1.00 0.00 O ATOM 879 CB ALA A 57 11.732 -3.404 -6.007 1.00 0.00 C ATOM 0 H ALA A 57 12.620 -1.124 -5.789 1.00 0.00 H new ATOM 0 HA ALA A 57 10.029 -2.132 -5.736 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.152 -4.327 -5.988 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.879 -3.089 -7.040 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.701 -3.575 -5.538 1.00 0.00 H new ATOM 885 N LEU A 58 9.412 -2.895 -3.493 1.00 0.00 N ATOM 886 CA LEU A 58 8.998 -3.332 -2.164 1.00 0.00 C ATOM 887 C LEU A 58 8.788 -4.847 -2.131 1.00 0.00 C ATOM 888 O LEU A 58 8.133 -5.371 -1.231 1.00 0.00 O ATOM 889 CB LEU A 58 7.707 -2.619 -1.746 1.00 0.00 C ATOM 890 CG LEU A 58 7.682 -1.108 -2.005 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.252 -0.585 -2.018 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.507 -0.372 -0.958 1.00 0.00 C ATOM 0 H LEU A 58 8.641 -2.694 -4.130 1.00 0.00 H new ATOM 0 HA LEU A 58 9.791 -3.075 -1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.871 -3.076 -2.275 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.544 -2.792 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 58 8.122 -0.925 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.259 0.489 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.689 -1.085 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.783 -0.784 -1.054 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.477 0.699 -1.158 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.096 -0.567 0.032 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.539 -0.720 -0.998 1.00 0.00 H new ATOM 904 N GLU A 59 9.347 -5.546 -3.119 1.00 0.00 N ATOM 905 CA GLU A 59 9.216 -6.997 -3.202 1.00 0.00 C ATOM 906 C GLU A 59 10.082 -7.692 -2.158 1.00 0.00 C ATOM 907 O GLU A 59 11.194 -7.254 -1.865 1.00 0.00 O ATOM 908 CB GLU A 59 9.600 -7.484 -4.601 1.00 0.00 C ATOM 909 CG GLU A 59 9.116 -8.892 -4.910 1.00 0.00 C ATOM 910 CD GLU A 59 10.018 -9.616 -5.889 1.00 0.00 C ATOM 911 OE1 GLU A 59 10.068 -9.204 -7.066 1.00 0.00 O ATOM 912 OE2 GLU A 59 10.673 -10.599 -5.479 1.00 0.00 O ATOM 0 H GLU A 59 9.894 -5.129 -3.872 1.00 0.00 H new ATOM 0 HA GLU A 59 8.174 -7.249 -3.004 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.189 -6.797 -5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.685 -7.451 -4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.058 -9.464 -3.984 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.107 -8.844 -5.319 1.00 0.00 H new ATOM 919 N GLY A 60 9.562 -8.782 -1.602 1.00 0.00 N ATOM 920 CA GLY A 60 10.297 -9.529 -0.597 1.00 0.00 C ATOM 921 C GLY A 60 10.611 -8.702 0.636 1.00 0.00 C ATOM 922 O GLY A 60 11.492 -9.059 1.418 1.00 0.00 O ATOM 0 H GLY A 60 8.643 -9.162 -1.830 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.717 -10.404 -0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.228 -9.895 -1.031 1.00 0.00 H new ATOM 926 N LEU A 61 9.893 -7.597 0.813 1.00 0.00 N ATOM 927 CA LEU A 61 10.105 -6.723 1.959 1.00 0.00 C ATOM 928 C LEU A 61 8.928 -6.807 2.932 1.00 0.00 C ATOM 929 O LEU A 61 7.772 -6.825 2.512 1.00 0.00 O ATOM 930 CB LEU A 61 10.293 -5.279 1.493 1.00 0.00 C ATOM 931 CG LEU A 61 11.416 -5.063 0.476 1.00 0.00 C ATOM 932 CD1 LEU A 61 11.598 -3.581 0.189 1.00 0.00 C ATOM 933 CD2 LEU A 61 12.716 -5.678 0.975 1.00 0.00 C ATOM 0 H LEU A 61 9.159 -7.287 0.176 1.00 0.00 H new ATOM 0 HA LEU A 61 11.006 -7.052 2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.357 -4.930 1.056 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.490 -4.655 2.365 1.00 0.00 H new ATOM 0 HG LEU A 61 11.138 -5.560 -0.454 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.401 -3.447 -0.536 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.672 -3.172 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.852 -3.060 1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.502 -5.514 0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 61 13.000 -5.212 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.578 -6.749 1.126 1.00 0.00 H new ATOM 945 N PRO A 62 9.206 -6.853 4.249 1.00 0.00 N ATOM 946 CA PRO A 62 8.154 -6.929 5.271 1.00 0.00 C ATOM 947 C PRO A 62 7.179 -5.761 5.180 1.00 0.00 C ATOM 948 O PRO A 62 7.073 -5.109 4.141 1.00 0.00 O ATOM 949 CB PRO A 62 8.930 -6.873 6.593 1.00 0.00 C ATOM 950 CG PRO A 62 10.312 -7.306 6.250 1.00 0.00 C ATOM 951 CD PRO A 62 10.554 -6.836 4.844 1.00 0.00 C ATOM 0 HA PRO A 62 7.543 -7.825 5.160 1.00 0.00 H new ATOM 0 HB2 PRO A 62 8.925 -5.866 7.011 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.485 -7.531 7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.039 -6.873 6.937 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.411 -8.389 6.322 1.00 0.00 H new ATOM 0 HD2 PRO A 62 10.992 -5.838 4.822 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.238 -7.496 4.311 1.00 0.00 H new ATOM 959 N PHE A 63 6.473 -5.495 6.273 1.00 0.00 N ATOM 960 CA PHE A 63 5.511 -4.400 6.309 1.00 0.00 C ATOM 961 C PHE A 63 6.047 -3.228 7.123 1.00 0.00 C ATOM 962 O PHE A 63 5.629 -2.088 6.931 1.00 0.00 O ATOM 963 CB PHE A 63 4.178 -4.868 6.892 1.00 0.00 C ATOM 964 CG PHE A 63 3.055 -3.895 6.661 1.00 0.00 C ATOM 965 CD1 PHE A 63 2.477 -3.771 5.406 1.00 0.00 C ATOM 966 CD2 PHE A 63 2.578 -3.105 7.695 1.00 0.00 C ATOM 967 CE1 PHE A 63 1.444 -2.879 5.189 1.00 0.00 C ATOM 968 CE2 PHE A 63 1.545 -2.211 7.483 1.00 0.00 C ATOM 969 CZ PHE A 63 0.977 -2.100 6.230 1.00 0.00 C ATOM 0 H PHE A 63 6.548 -6.021 7.144 1.00 0.00 H new ATOM 0 HA PHE A 63 5.351 -4.068 5.283 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.914 -5.829 6.451 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.295 -5.030 7.964 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.838 -4.378 4.589 1.00 0.00 H new ATOM 0 HD2 PHE A 63 3.018 -3.189 8.678 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.003 -2.791 4.207 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.183 -1.600 8.297 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.168 -1.404 6.063 1.00 0.00 H new ATOM 979 N GLN A 64 6.977 -3.510 8.030 1.00 0.00 N ATOM 980 CA GLN A 64 7.568 -2.467 8.862 1.00 0.00 C ATOM 981 C GLN A 64 8.147 -1.360 7.990 1.00 0.00 C ATOM 982 O GLN A 64 7.885 -0.175 8.212 1.00 0.00 O ATOM 983 CB GLN A 64 8.661 -3.054 9.757 1.00 0.00 C ATOM 984 CG GLN A 64 8.197 -4.235 10.592 1.00 0.00 C ATOM 985 CD GLN A 64 7.683 -3.817 11.957 1.00 0.00 C ATOM 986 OE1 GLN A 64 8.340 -4.031 12.974 1.00 0.00 O ATOM 987 NE2 GLN A 64 6.498 -3.217 11.983 1.00 0.00 N ATOM 0 H GLN A 64 7.337 -4.448 8.207 1.00 0.00 H new ATOM 0 HA GLN A 64 6.786 -2.045 9.494 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.499 -3.367 9.134 1.00 0.00 H new ATOM 0 HB3 GLN A 64 9.032 -2.274 10.422 1.00 0.00 H new ATOM 0 HG2 GLN A 64 7.409 -4.766 10.058 1.00 0.00 H new ATOM 0 HG3 GLN A 64 9.024 -4.934 10.717 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.987 -3.059 11.114 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.099 -2.914 12.872 1.00 0.00 H new ATOM 996 N VAL A 65 8.927 -1.757 6.992 1.00 0.00 N ATOM 997 CA VAL A 65 9.538 -0.807 6.076 1.00 0.00 C ATOM 998 C VAL A 65 8.482 -0.143 5.200 1.00 0.00 C ATOM 999 O VAL A 65 8.501 1.072 5.002 1.00 0.00 O ATOM 1000 CB VAL A 65 10.587 -1.487 5.175 1.00 0.00 C ATOM 1001 CG1 VAL A 65 11.762 -1.982 6.003 1.00 0.00 C ATOM 1002 CG2 VAL A 65 9.960 -2.628 4.388 1.00 0.00 C ATOM 0 H VAL A 65 9.151 -2.733 6.798 1.00 0.00 H new ATOM 0 HA VAL A 65 10.034 -0.051 6.684 1.00 0.00 H new ATOM 0 HB VAL A 65 10.959 -0.750 4.464 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.492 -2.459 5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.228 -1.139 6.514 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.409 -2.703 6.740 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.717 -3.095 3.758 1.00 0.00 H new ATOM 0 HG22 VAL A 65 9.556 -3.368 5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 65 9.156 -2.240 3.762 1.00 0.00 H new ATOM 1012 N CYS A 66 7.555 -0.946 4.682 1.00 0.00 N ATOM 1013 CA CYS A 66 6.488 -0.432 3.830 1.00 0.00 C ATOM 1014 C CYS A 66 5.708 0.666 4.545 1.00 0.00 C ATOM 1015 O CYS A 66 5.569 1.776 4.035 1.00 0.00 O ATOM 1016 CB CYS A 66 5.540 -1.562 3.423 1.00 0.00 C ATOM 1017 SG CYS A 66 5.969 -2.354 1.854 1.00 0.00 S ATOM 0 H CYS A 66 7.522 -1.954 4.838 1.00 0.00 H new ATOM 0 HA CYS A 66 6.943 -0.010 2.934 1.00 0.00 H new ATOM 0 HB2 CYS A 66 5.533 -2.317 4.209 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.527 -1.165 3.353 1.00 0.00 H new ATOM 0 HG CYS A 66 4.943 -2.320 1.056 1.00 0.00 H new ATOM 1023 N TYR A 67 5.215 0.357 5.737 1.00 0.00 N ATOM 1024 CA TYR A 67 4.466 1.327 6.519 1.00 0.00 C ATOM 1025 C TYR A 67 5.346 2.526 6.866 1.00 0.00 C ATOM 1026 O TYR A 67 4.860 3.646 7.009 1.00 0.00 O ATOM 1027 CB TYR A 67 3.928 0.690 7.799 1.00 0.00 C ATOM 1028 CG TYR A 67 2.652 1.336 8.289 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.455 1.158 7.607 1.00 0.00 C ATOM 1030 CD2 TYR A 67 2.648 2.134 9.426 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.289 1.755 8.046 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.486 2.734 9.871 1.00 0.00 C ATOM 1033 CZ TYR A 67 0.310 2.542 9.177 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.851 3.138 9.618 1.00 0.00 O ATOM 0 H TYR A 67 5.321 -0.555 6.181 1.00 0.00 H new ATOM 0 HA TYR A 67 3.623 1.668 5.918 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.747 -0.370 7.622 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.686 0.759 8.579 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.436 0.543 6.719 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.568 2.288 9.971 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.634 1.606 7.506 1.00 0.00 H new ATOM 0 HE2 TYR A 67 1.499 3.350 10.758 1.00 0.00 H new ATOM 0 HH TYR A 67 -1.224 2.618 10.360 1.00 0.00 H new ATOM 1044 N ALA A 68 6.646 2.272 7.015 1.00 0.00 N ATOM 1045 CA ALA A 68 7.602 3.320 7.366 1.00 0.00 C ATOM 1046 C ALA A 68 7.817 4.320 6.232 1.00 0.00 C ATOM 1047 O ALA A 68 7.725 5.529 6.442 1.00 0.00 O ATOM 1048 CB ALA A 68 8.929 2.695 7.759 1.00 0.00 C ATOM 0 H ALA A 68 7.061 1.348 6.898 1.00 0.00 H new ATOM 0 HA ALA A 68 7.183 3.871 8.208 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.638 3.481 8.020 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.782 2.039 8.617 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.320 2.116 6.923 1.00 0.00 H new ATOM 1054 N LEU A 69 8.108 3.821 5.033 1.00 0.00 N ATOM 1055 CA LEU A 69 8.337 4.701 3.891 1.00 0.00 C ATOM 1056 C LEU A 69 7.049 5.412 3.504 1.00 0.00 C ATOM 1057 O LEU A 69 7.051 6.611 3.225 1.00 0.00 O ATOM 1058 CB LEU A 69 8.892 3.923 2.696 1.00 0.00 C ATOM 1059 CG LEU A 69 8.204 2.587 2.414 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.452 2.637 1.092 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.223 1.455 2.408 1.00 0.00 C ATOM 0 H LEU A 69 8.190 2.825 4.829 1.00 0.00 H new ATOM 0 HA LEU A 69 9.078 5.445 4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.814 4.549 1.807 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.953 3.739 2.864 1.00 0.00 H new ATOM 0 HG LEU A 69 7.482 2.398 3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.970 1.676 0.911 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.695 3.421 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.151 2.850 0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.717 0.511 2.206 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.968 1.640 1.634 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.714 1.403 3.380 1.00 0.00 H new ATOM 1073 N PHE A 70 5.946 4.673 3.508 1.00 0.00 N ATOM 1074 CA PHE A 70 4.653 5.249 3.174 1.00 0.00 C ATOM 1075 C PHE A 70 4.285 6.316 4.199 1.00 0.00 C ATOM 1076 O PHE A 70 3.621 7.303 3.877 1.00 0.00 O ATOM 1077 CB PHE A 70 3.577 4.162 3.116 1.00 0.00 C ATOM 1078 CG PHE A 70 3.433 3.546 1.753 1.00 0.00 C ATOM 1079 CD1 PHE A 70 2.826 4.247 0.722 1.00 0.00 C ATOM 1080 CD2 PHE A 70 3.910 2.270 1.499 1.00 0.00 C ATOM 1081 CE1 PHE A 70 2.700 3.687 -0.534 1.00 0.00 C ATOM 1082 CE2 PHE A 70 3.785 1.705 0.244 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.180 2.414 -0.775 1.00 0.00 C ATOM 0 H PHE A 70 5.922 3.679 3.738 1.00 0.00 H new ATOM 0 HA PHE A 70 4.716 5.712 2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 70 3.819 3.381 3.837 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.621 4.589 3.418 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.448 5.242 0.903 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.385 1.710 2.291 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.226 4.244 -1.328 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.160 0.709 0.060 1.00 0.00 H new ATOM 0 HZ PHE A 70 3.082 1.975 -1.757 1.00 0.00 H new ATOM 1093 N LYS A 71 4.743 6.120 5.434 1.00 0.00 N ATOM 1094 CA LYS A 71 4.489 7.075 6.506 1.00 0.00 C ATOM 1095 C LYS A 71 5.505 8.210 6.446 1.00 0.00 C ATOM 1096 O LYS A 71 5.203 9.351 6.794 1.00 0.00 O ATOM 1097 CB LYS A 71 4.561 6.387 7.870 1.00 0.00 C ATOM 1098 CG LYS A 71 3.250 5.755 8.308 1.00 0.00 C ATOM 1099 CD LYS A 71 3.199 5.567 9.817 1.00 0.00 C ATOM 1100 CE LYS A 71 4.353 4.711 10.314 1.00 0.00 C ATOM 1101 NZ LYS A 71 4.051 4.075 11.628 1.00 0.00 N ATOM 0 H LYS A 71 5.292 5.308 5.715 1.00 0.00 H new ATOM 0 HA LYS A 71 3.487 7.482 6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.332 5.617 7.838 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.870 7.116 8.619 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.418 6.383 7.990 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.127 4.790 7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.230 6.540 10.307 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.254 5.101 10.094 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.573 3.937 9.579 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.248 5.327 10.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.919 3.657 12.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.686 4.793 12.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.337 3.331 11.497 1.00 0.00 H new ATOM 1115 N GLY A 72 6.713 7.881 5.995 1.00 0.00 N ATOM 1116 CA GLY A 72 7.764 8.875 5.889 1.00 0.00 C ATOM 1117 C GLY A 72 7.763 9.589 4.550 1.00 0.00 C ATOM 1118 O GLY A 72 8.703 10.314 4.227 1.00 0.00 O ATOM 0 H GLY A 72 6.981 6.942 5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.647 9.608 6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.730 8.393 6.038 1.00 0.00 H new ATOM 1122 N ALA A 73 6.704 9.390 3.769 1.00 0.00 N ATOM 1123 CA ALA A 73 6.585 10.029 2.464 1.00 0.00 C ATOM 1124 C ALA A 73 6.191 11.494 2.621 1.00 0.00 C ATOM 1125 O ALA A 73 5.325 11.827 3.426 1.00 0.00 O ATOM 1126 CB ALA A 73 5.566 9.293 1.609 1.00 0.00 C ATOM 0 H ALA A 73 5.917 8.791 4.018 1.00 0.00 H new ATOM 0 HA ALA A 73 7.554 9.985 1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.487 9.780 0.637 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.885 8.260 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.595 9.311 2.104 1.00 0.00 H new ATOM 1132 N ASN A 74 6.829 12.367 1.850 1.00 0.00 N ATOM 1133 CA ASN A 74 6.532 13.794 1.909 1.00 0.00 C ATOM 1134 C ASN A 74 7.175 14.531 0.742 1.00 0.00 C ATOM 1135 O ASN A 74 8.373 14.818 0.752 1.00 0.00 O ATOM 1136 CB ASN A 74 6.998 14.398 3.234 1.00 0.00 C ATOM 1137 CG ASN A 74 8.433 14.050 3.559 1.00 0.00 C ATOM 1138 OD1 ASN A 74 9.345 14.850 3.345 1.00 0.00 O ATOM 1139 ND2 ASN A 74 8.638 12.851 4.081 1.00 0.00 N ATOM 0 H ASN A 74 7.553 12.113 1.178 1.00 0.00 H new ATOM 0 HA ASN A 74 5.450 13.909 1.840 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.891 15.482 3.192 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.351 14.045 4.037 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.583 12.556 4.324 1.00 0.00 H new ATOM 0 HD22 ASN A 74 7.850 12.223 4.240 1.00 0.00 H new ATOM 1146 N GLY A 75 6.365 14.825 -0.265 1.00 0.00 N ATOM 1147 CA GLY A 75 6.854 15.520 -1.443 1.00 0.00 C ATOM 1148 C GLY A 75 6.775 14.655 -2.683 1.00 0.00 C ATOM 1149 O GLY A 75 7.779 14.099 -3.125 1.00 0.00 O ATOM 0 H GLY A 75 5.372 14.594 -0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 75 6.271 16.428 -1.596 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.887 15.828 -1.280 1.00 0.00 H new ATOM 1153 N LYS A 76 5.572 14.529 -3.236 1.00 0.00 N ATOM 1154 CA LYS A 76 5.355 13.714 -4.421 1.00 0.00 C ATOM 1155 C LYS A 76 5.720 12.260 -4.133 1.00 0.00 C ATOM 1156 O LYS A 76 6.877 11.942 -3.853 1.00 0.00 O ATOM 1157 CB LYS A 76 6.174 14.251 -5.592 1.00 0.00 C ATOM 1158 CG LYS A 76 5.451 14.166 -6.928 1.00 0.00 C ATOM 1159 CD LYS A 76 4.808 15.494 -7.301 1.00 0.00 C ATOM 1160 CE LYS A 76 3.311 15.345 -7.531 1.00 0.00 C ATOM 1161 NZ LYS A 76 3.009 14.715 -8.846 1.00 0.00 N ATOM 0 H LYS A 76 4.732 14.984 -2.879 1.00 0.00 H new ATOM 0 HA LYS A 76 4.300 13.760 -4.691 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.436 15.291 -5.395 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.108 13.694 -5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.155 13.871 -7.706 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.686 13.391 -6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.985 16.220 -6.508 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.278 15.886 -8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.880 14.742 -6.732 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.837 16.325 -7.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.979 14.632 -8.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.398 15.303 -9.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.439 13.769 -8.885 1.00 0.00 H new ATOM 1175 N VAL A 77 4.724 11.386 -4.182 1.00 0.00 N ATOM 1176 CA VAL A 77 4.928 9.967 -3.904 1.00 0.00 C ATOM 1177 C VAL A 77 4.456 9.093 -5.058 1.00 0.00 C ATOM 1178 O VAL A 77 3.256 8.925 -5.264 1.00 0.00 O ATOM 1179 CB VAL A 77 4.175 9.536 -2.632 1.00 0.00 C ATOM 1180 CG1 VAL A 77 5.089 9.604 -1.424 1.00 0.00 C ATOM 1181 CG2 VAL A 77 2.940 10.386 -2.419 1.00 0.00 C ATOM 0 H VAL A 77 3.762 11.634 -4.413 1.00 0.00 H new ATOM 0 HA VAL A 77 6.001 9.832 -3.764 1.00 0.00 H new ATOM 0 HB VAL A 77 3.853 8.503 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.540 9.296 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.940 8.939 -1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.446 10.626 -1.295 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.426 10.061 -1.514 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.231 11.431 -2.316 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.272 10.278 -3.274 1.00 0.00 H new ATOM 1191 N SER A 78 5.404 8.517 -5.787 1.00 0.00 N ATOM 1192 CA SER A 78 5.080 7.637 -6.904 1.00 0.00 C ATOM 1193 C SER A 78 5.194 6.181 -6.467 1.00 0.00 C ATOM 1194 O SER A 78 6.278 5.714 -6.117 1.00 0.00 O ATOM 1195 CB SER A 78 6.012 7.908 -8.085 1.00 0.00 C ATOM 1196 OG SER A 78 5.711 7.062 -9.181 1.00 0.00 O ATOM 0 H SER A 78 6.403 8.643 -5.625 1.00 0.00 H new ATOM 0 HA SER A 78 4.056 7.834 -7.220 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.921 8.950 -8.391 1.00 0.00 H new ATOM 0 HB3 SER A 78 7.047 7.755 -7.778 1.00 0.00 H new ATOM 0 HG SER A 78 6.321 7.258 -9.922 1.00 0.00 H new ATOM 1202 N MET A 79 4.070 5.474 -6.467 1.00 0.00 N ATOM 1203 CA MET A 79 4.052 4.079 -6.044 1.00 0.00 C ATOM 1204 C MET A 79 3.515 3.159 -7.133 1.00 0.00 C ATOM 1205 O MET A 79 2.373 3.300 -7.570 1.00 0.00 O ATOM 1206 CB MET A 79 3.203 3.920 -4.778 1.00 0.00 C ATOM 1207 CG MET A 79 3.145 5.169 -3.914 1.00 0.00 C ATOM 1208 SD MET A 79 1.630 6.116 -4.161 1.00 0.00 S ATOM 1209 CE MET A 79 0.752 5.754 -2.645 1.00 0.00 C ATOM 0 H MET A 79 3.163 5.842 -6.754 1.00 0.00 H new ATOM 0 HA MET A 79 5.083 3.792 -5.838 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.189 3.641 -5.065 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.604 3.098 -4.185 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.224 4.884 -2.865 1.00 0.00 H new ATOM 0 HG3 MET A 79 4.004 5.801 -4.138 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.158 6.352 -2.600 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.492 4.696 -2.619 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.386 5.993 -1.791 1.00 0.00 H new ATOM 1219 N GLU A 80 4.336 2.197 -7.550 1.00 0.00 N ATOM 1220 CA GLU A 80 3.922 1.237 -8.567 1.00 0.00 C ATOM 1221 C GLU A 80 3.101 0.131 -7.919 1.00 0.00 C ATOM 1222 O GLU A 80 3.622 -0.665 -7.137 1.00 0.00 O ATOM 1223 CB GLU A 80 5.133 0.644 -9.294 1.00 0.00 C ATOM 1224 CG GLU A 80 5.142 0.934 -10.786 1.00 0.00 C ATOM 1225 CD GLU A 80 6.507 1.363 -11.289 1.00 0.00 C ATOM 1226 OE1 GLU A 80 7.200 2.104 -10.560 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.882 0.958 -12.409 1.00 0.00 O ATOM 0 H GLU A 80 5.285 2.063 -7.201 1.00 0.00 H new ATOM 0 HA GLU A 80 3.312 1.756 -9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.045 1.041 -8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.147 -0.435 -9.141 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.823 0.043 -11.327 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.416 1.717 -11.004 1.00 0.00 H new ATOM 1234 N VAL A 81 1.815 0.103 -8.230 1.00 0.00 N ATOM 1235 CA VAL A 81 0.915 -0.891 -7.657 1.00 0.00 C ATOM 1236 C VAL A 81 0.600 -2.007 -8.641 1.00 0.00 C ATOM 1237 O VAL A 81 0.437 -1.770 -9.835 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.409 -0.256 -7.184 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.367 0.007 -5.689 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -0.693 1.025 -7.944 1.00 0.00 C ATOM 0 H VAL A 81 1.369 0.755 -8.875 1.00 0.00 H new ATOM 0 HA VAL A 81 1.439 -1.312 -6.799 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.218 -0.958 -7.388 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.309 0.455 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.215 -0.933 -5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.453 0.688 -5.462 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.631 1.455 -7.594 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.117 1.735 -7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.769 0.807 -9.009 1.00 0.00 H new ATOM 1250 N THR A 82 0.506 -3.224 -8.118 1.00 0.00 N ATOM 1251 CA THR A 82 0.198 -4.390 -8.933 1.00 0.00 C ATOM 1252 C THR A 82 -1.211 -4.889 -8.631 1.00 0.00 C ATOM 1253 O THR A 82 -1.513 -5.277 -7.504 1.00 0.00 O ATOM 1254 CB THR A 82 1.216 -5.502 -8.670 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.522 -5.079 -9.024 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.926 -6.777 -9.432 1.00 0.00 C ATOM 0 H THR A 82 0.640 -3.428 -7.128 1.00 0.00 H new ATOM 0 HA THR A 82 0.251 -4.104 -9.984 1.00 0.00 H new ATOM 0 HB THR A 82 1.142 -5.713 -7.603 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.829 -4.398 -8.389 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.687 -7.522 -9.198 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.054 -7.157 -9.145 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.936 -6.572 -10.502 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.071 -4.872 -9.643 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.449 -5.318 -9.480 1.00 0.00 C ATOM 1266 C ARG A 83 -3.680 -6.657 -10.175 1.00 0.00 C ATOM 1267 O ARG A 83 -3.920 -6.707 -11.382 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.415 -4.270 -10.037 1.00 0.00 C ATOM 1269 CG ARG A 83 -4.147 -3.908 -11.489 1.00 0.00 C ATOM 1270 CD ARG A 83 -5.413 -3.982 -12.328 1.00 0.00 C ATOM 1271 NE ARG A 83 -5.525 -2.856 -13.252 1.00 0.00 N ATOM 1272 CZ ARG A 83 -6.420 -2.791 -14.236 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -7.282 -3.782 -14.425 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -6.452 -1.731 -15.033 1.00 0.00 N ATOM 0 H ARG A 83 -1.838 -4.554 -10.584 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.635 -5.448 -8.414 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -5.435 -4.643 -9.946 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.350 -3.368 -9.428 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.733 -2.901 -11.543 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.397 -4.584 -11.900 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.420 -4.915 -12.891 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.283 -3.999 -11.671 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.880 -2.074 -13.137 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.261 -4.599 -13.815 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.965 -3.727 -15.180 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.791 -0.967 -14.892 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.137 -1.680 -15.787 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.616 -7.767 -9.419 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.825 -9.108 -9.969 1.00 0.00 C ATOM 1290 C PRO A 84 -5.109 -9.207 -10.786 1.00 0.00 C ATOM 1291 O PRO A 84 -5.998 -8.363 -10.667 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.916 -9.992 -8.724 1.00 0.00 C ATOM 1293 CG PRO A 84 -3.146 -9.261 -7.680 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.337 -7.800 -7.970 1.00 0.00 C ATOM 0 HA PRO A 84 -3.028 -9.395 -10.656 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.952 -10.141 -8.420 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -3.493 -10.979 -8.908 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.507 -9.511 -6.682 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.090 -9.531 -7.714 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.162 -7.381 -7.393 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.447 -7.222 -7.720 1.00 0.00 H new ATOM 1572 N GLN A 103 -9.014 1.470 9.521 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.912 0.609 9.111 1.00 0.00 C ATOM 1574 C GLN A 103 -6.554 1.191 9.475 1.00 0.00 C ATOM 1575 O GLN A 103 -6.461 2.263 10.074 1.00 0.00 O ATOM 1576 CB GLN A 103 -7.992 0.402 7.603 1.00 0.00 C ATOM 1577 CG GLN A 103 -9.234 -0.353 7.176 1.00 0.00 C ATOM 1578 CD GLN A 103 -8.963 -1.820 6.902 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -7.881 -2.188 6.445 1.00 0.00 O ATOM 1580 NE2 GLN A 103 -9.949 -2.666 7.181 1.00 0.00 N ATOM 0 HA GLN A 103 -8.007 -0.339 9.641 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.974 1.372 7.107 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -7.109 -0.143 7.269 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.992 -0.267 7.955 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.645 0.110 6.279 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -10.830 -2.316 7.559 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -9.825 -3.665 7.017 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.497 0.480 9.087 1.00 0.00 N ATOM 1590 CA TYR A 104 -4.137 0.930 9.342 1.00 0.00 C ATOM 1591 C TYR A 104 -3.716 1.876 8.232 1.00 0.00 C ATOM 1592 O TYR A 104 -3.284 1.443 7.164 1.00 0.00 O ATOM 1593 CB TYR A 104 -3.180 -0.264 9.407 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.887 0.012 10.147 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.872 0.802 11.291 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.683 -0.527 9.709 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.694 1.049 11.973 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.497 -0.287 10.388 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.486 0.502 11.518 1.00 0.00 C ATOM 1600 OH TYR A 104 1.657 0.745 12.196 1.00 0.00 O ATOM 0 H TYR A 104 -5.560 -0.411 8.594 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.101 1.447 10.301 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.690 -1.098 9.890 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.943 -0.580 8.391 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.795 1.230 11.653 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.669 -1.144 8.823 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.699 1.668 12.858 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.423 -0.716 10.035 1.00 0.00 H new ATOM 0 HH TYR A 104 2.202 1.383 11.689 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.859 3.168 8.482 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.515 4.174 7.490 1.00 0.00 C ATOM 1612 C TRP A 105 -2.192 4.853 7.829 1.00 0.00 C ATOM 1613 O TRP A 105 -1.971 5.273 8.964 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.633 5.216 7.397 1.00 0.00 C ATOM 1615 CG TRP A 105 -6.010 4.618 7.348 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.819 4.317 8.410 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.741 4.237 6.178 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -8.008 3.804 7.968 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -7.984 3.739 6.606 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.471 4.273 4.811 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -8.946 3.284 5.716 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.432 3.812 3.933 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.657 3.326 4.394 1.00 0.00 C ATOM 0 H TRP A 105 -4.211 3.544 9.362 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.401 3.678 6.526 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.567 5.885 8.255 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.478 5.824 6.506 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.557 4.463 9.447 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.786 3.517 8.561 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.529 4.654 4.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.896 2.908 6.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.233 3.828 2.872 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.389 2.976 3.681 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.316 4.956 6.835 1.00 0.00 N ATOM 1635 CA VAL A 106 -0.015 5.584 7.024 1.00 0.00 C ATOM 1636 C VAL A 106 -0.151 7.095 7.177 1.00 0.00 C ATOM 1637 O VAL A 106 0.601 7.677 7.987 1.00 0.00 O ATOM 1638 CB VAL A 106 0.929 5.282 5.846 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.293 3.806 5.816 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.296 5.711 4.532 1.00 0.00 C ATOM 1641 OXT VAL A 106 -1.010 7.684 6.486 1.00 0.00 O ATOM 0 H VAL A 106 -1.484 4.612 5.890 1.00 0.00 H new ATOM 0 HA VAL A 106 0.409 5.166 7.937 1.00 0.00 H new ATOM 0 HB VAL A 106 1.847 5.854 5.984 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.961 3.613 4.976 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.792 3.535 6.746 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.387 3.210 5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 106 0.977 5.490 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.638 5.169 4.384 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.094 6.782 4.558 1.00 0.00 H new