USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 623 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 37 ASN : amide:sc= 1.02 K(o=1.9,f=-0.024) USER MOD Set 1.2: A 42 THR OG1 : rot -130:sc= 0.885 USER MOD Single : A 1 VAL N :NH3+ -135:sc= 0.296 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 140:sc= 0.0914 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 153:sc= 1.28 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -139:sc= 0.52 USER MOD Single : A 19 ASN : amide:sc= 1.22 K(o=1.2,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.023 K(o=-0.023,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.145) USER MOD Single : A 33 ASN : amide:sc= 0.792 K(o=0.79,f=-0.48) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot -138:sc= -1.14 USER MOD Single : A 48 ASN : amide:sc= 0.272 K(o=0.27,f=-6.8!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -170:sc=-0.00016 USER MOD Single : A 55 SER OG : rot 180:sc= 0.00206 USER MOD Single : A 58 LYS NZ :NH3+ 172:sc= 0.216 (180deg=-0.237) USER MOD Single : A 63 LYS NZ :NH3+ 166:sc= 1.23 (180deg=1.23) USER MOD Single : A 66 TYR OH : rot 30:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 175:sc= 0.937 (180deg=0.887) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -99:sc= 1.18 (180deg=-0.89) USER MOD Single : A 74 GLN : amide:sc= 1.13 K(o=1.1,f=-0.28) USER MOD Single : A 76 SER OG : rot 180:sc= 0.274 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -8.052 13.596 10.055 1.00 10.00 N ATOM 2 CA VAL A 1 -8.532 12.210 9.955 1.00 10.00 C ATOM 3 C VAL A 1 -7.619 11.518 8.940 1.00 10.00 C ATOM 4 O VAL A 1 -6.521 12.036 8.744 1.00 10.00 O ATOM 5 CB VAL A 1 -10.047 12.178 9.675 1.00 10.00 C ATOM 6 CG1 VAL A 1 -10.411 12.446 8.208 1.00 10.00 C ATOM 7 CG2 VAL A 1 -10.696 10.890 10.199 1.00 10.00 C ATOM 0 H1 VAL A 1 -8.005 13.876 11.056 1.00 10.00 H new ATOM 0 H2 VAL A 1 -7.105 13.667 9.631 1.00 10.00 H new ATOM 0 H3 VAL A 1 -8.706 14.227 9.549 1.00 10.00 H new ATOM 0 HA VAL A 1 -8.460 11.647 10.886 1.00 10.00 H new ATOM 0 HB VAL A 1 -10.466 13.013 10.236 1.00 10.00 H new ATOM 0 HG11 VAL A 1 -11.494 12.407 8.089 1.00 10.00 H new ATOM 0 HG12 VAL A 1 -10.049 13.432 7.918 1.00 10.00 H new ATOM 0 HG13 VAL A 1 -9.949 11.689 7.574 1.00 10.00 H new ATOM 0 HG21 VAL A 1 -11.764 10.906 9.982 1.00 10.00 H new ATOM 0 HG22 VAL A 1 -10.240 10.028 9.712 1.00 10.00 H new ATOM 0 HG23 VAL A 1 -10.546 10.819 11.276 1.00 10.00 H new ATOM 19 N THR A 2 -8.013 10.397 8.339 1.00 10.00 N ATOM 20 CA THR A 2 -7.224 9.628 7.399 1.00 10.00 C ATOM 21 C THR A 2 -7.562 10.055 5.964 1.00 10.00 C ATOM 22 O THR A 2 -8.636 10.599 5.715 1.00 10.00 O ATOM 23 CB THR A 2 -7.525 8.154 7.696 1.00 10.00 C ATOM 24 OG1 THR A 2 -8.925 7.994 7.849 1.00 10.00 O ATOM 25 CG2 THR A 2 -6.864 7.759 9.028 1.00 10.00 C ATOM 0 H THR A 2 -8.932 9.988 8.506 1.00 10.00 H new ATOM 0 HA THR A 2 -6.152 9.798 7.502 1.00 10.00 H new ATOM 0 HB THR A 2 -7.147 7.536 6.881 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.208 7.160 7.420 1.00 10.00 H new ATOM 0 HG21 THR A 2 -7.076 6.712 9.243 1.00 10.00 H new ATOM 0 HG22 THR A 2 -5.786 7.904 8.956 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.261 8.381 9.830 1.00 10.00 H new ATOM 33 N GLU A 3 -6.622 9.836 5.044 1.00 10.00 N ATOM 34 CA GLU A 3 -6.621 10.306 3.667 1.00 10.00 C ATOM 35 C GLU A 3 -6.353 9.113 2.746 1.00 10.00 C ATOM 36 O GLU A 3 -5.639 8.186 3.135 1.00 10.00 O ATOM 37 CB GLU A 3 -5.527 11.375 3.524 1.00 10.00 C ATOM 38 CG GLU A 3 -6.104 12.766 3.252 1.00 10.00 C ATOM 39 CD GLU A 3 -5.028 13.831 3.420 1.00 10.00 C ATOM 40 OE1 GLU A 3 -3.951 13.645 2.815 1.00 10.00 O ATOM 41 OE2 GLU A 3 -5.288 14.787 4.182 1.00 10.00 O ATOM 0 H GLU A 3 -5.788 9.289 5.260 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.580 10.746 3.395 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -4.930 11.404 4.435 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -4.856 11.098 2.711 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -6.510 12.807 2.241 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -6.930 12.964 3.935 1.00 10.00 H new ATOM 48 N LYS A 4 -6.966 9.121 1.557 1.00 10.00 N ATOM 49 CA LYS A 4 -7.117 7.953 0.701 1.00 10.00 C ATOM 50 C LYS A 4 -6.264 8.042 -0.573 1.00 10.00 C ATOM 51 O LYS A 4 -6.633 8.702 -1.545 1.00 10.00 O ATOM 52 CB LYS A 4 -8.613 7.755 0.430 1.00 10.00 C ATOM 53 CG LYS A 4 -9.041 6.297 0.655 1.00 10.00 C ATOM 54 CD LYS A 4 -10.529 6.239 1.010 1.00 10.00 C ATOM 55 CE LYS A 4 -11.422 6.552 -0.198 1.00 10.00 C ATOM 56 NZ LYS A 4 -12.734 7.080 0.224 1.00 10.00 N ATOM 0 H LYS A 4 -7.379 9.964 1.159 1.00 10.00 H new ATOM 0 HA LYS A 4 -6.733 7.067 1.208 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -9.191 8.409 1.083 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -8.839 8.047 -0.596 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -8.849 5.710 -0.243 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -8.450 5.855 1.457 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -10.772 5.248 1.393 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -10.739 6.950 1.809 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -10.925 7.279 -0.841 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -11.565 5.648 -0.790 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -13.314 7.281 -0.616 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -13.217 6.376 0.817 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -12.597 7.956 0.768 1.00 10.00 H new ATOM 70 N ALA A 5 -5.122 7.356 -0.551 1.00 10.00 N ATOM 71 CA ALA A 5 -4.045 7.454 -1.525 1.00 10.00 C ATOM 72 C ALA A 5 -3.943 6.157 -2.335 1.00 10.00 C ATOM 73 O ALA A 5 -4.322 5.097 -1.829 1.00 10.00 O ATOM 74 CB ALA A 5 -2.752 7.754 -0.772 1.00 10.00 C ATOM 0 H ALA A 5 -4.916 6.683 0.187 1.00 10.00 H new ATOM 0 HA ALA A 5 -4.240 8.257 -2.235 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.928 7.832 -1.481 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.856 8.694 -0.231 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.547 6.950 -0.065 1.00 10.00 H new ATOM 80 N GLU A 6 -3.420 6.222 -3.570 1.00 10.00 N ATOM 81 CA GLU A 6 -3.310 5.073 -4.451 1.00 10.00 C ATOM 82 C GLU A 6 -1.894 4.980 -4.970 1.00 10.00 C ATOM 83 O GLU A 6 -1.247 6.008 -5.164 1.00 10.00 O ATOM 84 CB GLU A 6 -4.250 5.206 -5.643 1.00 10.00 C ATOM 85 CG GLU A 6 -5.662 4.779 -5.255 1.00 10.00 C ATOM 86 CD GLU A 6 -6.548 4.488 -6.462 1.00 10.00 C ATOM 87 OE1 GLU A 6 -6.048 4.633 -7.599 1.00 10.00 O ATOM 88 OE2 GLU A 6 -7.716 4.104 -6.218 1.00 10.00 O ATOM 0 H GLU A 6 -3.062 7.085 -3.978 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.577 4.181 -3.884 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.259 6.238 -5.994 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.891 4.591 -6.468 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.607 3.889 -4.628 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.121 5.564 -4.655 1.00 10.00 H new ATOM 95 N PHE A 7 -1.453 3.744 -5.208 1.00 10.00 N ATOM 96 CA PHE A 7 -0.080 3.404 -5.535 1.00 10.00 C ATOM 97 C PHE A 7 -0.071 2.349 -6.641 1.00 10.00 C ATOM 98 O PHE A 7 -0.886 1.428 -6.603 1.00 10.00 O ATOM 99 CB PHE A 7 0.668 2.906 -4.283 1.00 10.00 C ATOM 100 CG PHE A 7 0.512 3.724 -3.018 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.712 3.710 -2.325 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.606 4.418 -2.475 1.00 10.00 C ATOM 103 CE1 PHE A 7 -0.908 4.562 -1.229 1.00 10.00 C ATOM 104 CE2 PHE A 7 1.438 5.189 -1.311 1.00 10.00 C ATOM 105 CZ PHE A 7 0.170 5.295 -0.712 1.00 10.00 C ATOM 0 H PHE A 7 -2.067 2.930 -5.176 1.00 10.00 H new ATOM 0 HA PHE A 7 0.439 4.293 -5.893 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.336 1.889 -4.072 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.730 2.851 -4.522 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.501 3.042 -2.637 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.574 4.360 -2.950 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -1.888 4.654 -0.784 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.284 5.701 -0.876 1.00 10.00 H new ATOM 0 HZ PHE A 7 0.027 5.939 0.143 1.00 10.00 H new ATOM 115 N ASP A 8 0.831 2.494 -7.617 1.00 10.00 N ATOM 116 CA ASP A 8 0.870 1.681 -8.836 1.00 10.00 C ATOM 117 C ASP A 8 1.967 0.611 -8.667 1.00 10.00 C ATOM 118 O ASP A 8 3.076 0.954 -8.251 1.00 10.00 O ATOM 119 CB ASP A 8 1.086 2.615 -10.048 1.00 10.00 C ATOM 120 CG ASP A 8 0.199 2.255 -11.242 1.00 10.00 C ATOM 121 OD1 ASP A 8 0.448 1.179 -11.815 1.00 10.00 O ATOM 122 OD2 ASP A 8 -0.713 3.049 -11.586 1.00 10.00 O ATOM 0 H ASP A 8 1.571 3.196 -7.580 1.00 10.00 H new ATOM 0 HA ASP A 8 -0.067 1.153 -9.014 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.884 3.643 -9.749 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.132 2.571 -10.352 1.00 10.00 H new ATOM 127 N ILE A 9 1.648 -0.680 -8.855 1.00 10.00 N ATOM 128 CA ILE A 9 2.467 -1.812 -8.418 1.00 10.00 C ATOM 129 C ILE A 9 3.201 -2.465 -9.583 1.00 10.00 C ATOM 130 O ILE A 9 2.566 -2.917 -10.533 1.00 10.00 O ATOM 131 CB ILE A 9 1.589 -2.876 -7.722 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.496 -2.294 -6.822 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.459 -3.813 -6.884 1.00 10.00 C ATOM 134 CD1 ILE A 9 1.062 -1.294 -5.829 1.00 10.00 C ATOM 0 H ILE A 9 0.791 -0.968 -9.327 1.00 10.00 H new ATOM 0 HA ILE A 9 3.205 -1.419 -7.718 1.00 10.00 H new ATOM 0 HB ILE A 9 1.091 -3.413 -8.529 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.262 -1.808 -7.437 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.000 -3.101 -6.283 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.829 -4.558 -6.399 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.181 -4.313 -7.529 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.989 -3.237 -6.126 1.00 10.00 H new ATOM 0 HD11 ILE A 9 0.257 -0.902 -5.208 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.801 -1.787 -5.197 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.536 -0.474 -6.368 1.00 10.00 H new ATOM 146 N GLU A 10 4.522 -2.606 -9.453 1.00 10.00 N ATOM 147 CA GLU A 10 5.336 -3.418 -10.335 1.00 10.00 C ATOM 148 C GLU A 10 5.873 -4.611 -9.538 1.00 10.00 C ATOM 149 O GLU A 10 6.861 -4.470 -8.814 1.00 10.00 O ATOM 150 CB GLU A 10 6.474 -2.553 -10.888 1.00 10.00 C ATOM 151 CG GLU A 10 5.963 -1.546 -11.934 1.00 10.00 C ATOM 152 CD GLU A 10 6.542 -1.813 -13.319 1.00 10.00 C ATOM 153 OE1 GLU A 10 6.497 -2.991 -13.738 1.00 10.00 O ATOM 154 OE2 GLU A 10 7.042 -0.840 -13.924 1.00 10.00 O ATOM 0 H GLU A 10 5.057 -2.147 -8.716 1.00 10.00 H new ATOM 0 HA GLU A 10 4.755 -3.797 -11.176 1.00 10.00 H new ATOM 0 HB2 GLU A 10 6.955 -2.016 -10.070 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.233 -3.193 -11.338 1.00 10.00 H new ATOM 0 HG2 GLU A 10 4.875 -1.594 -11.981 1.00 10.00 H new ATOM 0 HG3 GLU A 10 6.224 -0.535 -11.621 1.00 10.00 H new ATOM 161 N GLY A 11 5.227 -5.778 -9.661 1.00 10.00 N ATOM 162 CA GLY A 11 5.733 -7.029 -9.116 1.00 10.00 C ATOM 163 C GLY A 11 4.621 -8.034 -8.811 1.00 10.00 C ATOM 164 O GLY A 11 4.090 -8.664 -9.722 1.00 10.00 O ATOM 0 H GLY A 11 4.334 -5.873 -10.145 1.00 10.00 H new ATOM 0 HA2 GLY A 11 6.433 -7.472 -9.824 1.00 10.00 H new ATOM 0 HA3 GLY A 11 6.291 -6.823 -8.203 1.00 10.00 H new ATOM 168 N MET A 12 4.307 -8.237 -7.527 1.00 10.00 N ATOM 169 CA MET A 12 3.438 -9.320 -7.081 1.00 10.00 C ATOM 170 C MET A 12 1.974 -8.881 -7.042 1.00 10.00 C ATOM 171 O MET A 12 1.482 -8.418 -6.013 1.00 10.00 O ATOM 172 CB MET A 12 3.895 -9.818 -5.708 1.00 10.00 C ATOM 173 CG MET A 12 5.199 -10.611 -5.785 1.00 10.00 C ATOM 174 SD MET A 12 5.728 -11.338 -4.213 1.00 10.00 S ATOM 175 CE MET A 12 7.204 -12.233 -4.742 1.00 10.00 C ATOM 0 H MET A 12 4.652 -7.649 -6.768 1.00 10.00 H new ATOM 0 HA MET A 12 3.511 -10.138 -7.798 1.00 10.00 H new ATOM 0 HB2 MET A 12 4.029 -8.966 -5.041 1.00 10.00 H new ATOM 0 HB3 MET A 12 3.116 -10.444 -5.273 1.00 10.00 H new ATOM 0 HG2 MET A 12 5.082 -11.409 -6.519 1.00 10.00 H new ATOM 0 HG3 MET A 12 5.988 -9.954 -6.151 1.00 10.00 H new ATOM 0 HE1 MET A 12 7.650 -12.738 -3.885 1.00 10.00 H new ATOM 0 HE2 MET A 12 6.931 -12.971 -5.496 1.00 10.00 H new ATOM 0 HE3 MET A 12 7.923 -11.531 -5.164 1.00 10.00 H new ATOM 185 N THR A 13 1.271 -9.062 -8.156 1.00 10.00 N ATOM 186 CA THR A 13 -0.071 -8.561 -8.395 1.00 10.00 C ATOM 187 C THR A 13 -1.026 -9.735 -8.639 1.00 10.00 C ATOM 188 O THR A 13 -1.689 -9.823 -9.668 1.00 10.00 O ATOM 189 CB THR A 13 0.035 -7.615 -9.594 1.00 10.00 C ATOM 190 OG1 THR A 13 0.823 -8.218 -10.601 1.00 10.00 O ATOM 191 CG2 THR A 13 0.725 -6.314 -9.171 1.00 10.00 C ATOM 0 H THR A 13 1.641 -9.585 -8.949 1.00 10.00 H new ATOM 0 HA THR A 13 -0.478 -8.020 -7.541 1.00 10.00 H new ATOM 0 HB THR A 13 -0.968 -7.406 -9.965 1.00 10.00 H new ATOM 0 HG1 THR A 13 0.553 -7.873 -11.478 1.00 10.00 H new ATOM 0 HG21 THR A 13 0.797 -5.645 -10.029 1.00 10.00 H new ATOM 0 HG22 THR A 13 0.144 -5.833 -8.384 1.00 10.00 H new ATOM 0 HG23 THR A 13 1.725 -6.537 -8.799 1.00 10.00 H new ATOM 199 N CYS A 14 -1.087 -10.651 -7.668 1.00 10.00 N ATOM 200 CA CYS A 14 -1.817 -11.910 -7.793 1.00 10.00 C ATOM 201 C CYS A 14 -3.020 -11.898 -6.855 1.00 10.00 C ATOM 202 O CYS A 14 -4.107 -11.507 -7.261 1.00 10.00 O ATOM 203 CB CYS A 14 -0.893 -13.115 -7.546 1.00 10.00 C ATOM 204 SG CYS A 14 0.377 -13.228 -8.830 1.00 10.00 S ATOM 0 H CYS A 14 -0.626 -10.536 -6.766 1.00 10.00 H new ATOM 0 HA CYS A 14 -2.186 -12.013 -8.813 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -0.420 -13.022 -6.568 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -1.482 -14.032 -7.529 1.00 10.00 H new ATOM 0 HG CYS A 14 1.143 -14.252 -8.594 1.00 10.00 H new ATOM 210 N ALA A 15 -2.831 -12.319 -5.599 1.00 10.00 N ATOM 211 CA ALA A 15 -3.885 -12.391 -4.591 1.00 10.00 C ATOM 212 C ALA A 15 -3.276 -12.684 -3.224 1.00 10.00 C ATOM 213 O ALA A 15 -3.412 -11.897 -2.292 1.00 10.00 O ATOM 214 CB ALA A 15 -4.936 -13.446 -4.959 1.00 10.00 C ATOM 0 H ALA A 15 -1.922 -12.624 -5.252 1.00 10.00 H new ATOM 0 HA ALA A 15 -4.391 -11.427 -4.552 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -5.707 -13.475 -4.189 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -5.389 -13.190 -5.917 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -4.460 -14.424 -5.033 1.00 10.00 H new ATOM 220 N ALA A 16 -2.558 -13.803 -3.105 1.00 10.00 N ATOM 221 CA ALA A 16 -1.962 -14.219 -1.848 1.00 10.00 C ATOM 222 C ALA A 16 -0.899 -13.203 -1.456 1.00 10.00 C ATOM 223 O ALA A 16 -0.762 -12.837 -0.291 1.00 10.00 O ATOM 224 CB ALA A 16 -1.357 -15.616 -2.014 1.00 10.00 C ATOM 0 H ALA A 16 -2.378 -14.441 -3.880 1.00 10.00 H new ATOM 0 HA ALA A 16 -2.713 -14.265 -1.060 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -0.908 -15.932 -1.072 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -2.139 -16.320 -2.298 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -0.592 -15.591 -2.790 1.00 10.00 H new ATOM 230 N CYS A 17 -0.145 -12.745 -2.457 1.00 10.00 N ATOM 231 CA CYS A 17 0.909 -11.777 -2.235 1.00 10.00 C ATOM 232 C CYS A 17 0.309 -10.395 -1.977 1.00 10.00 C ATOM 233 O CYS A 17 0.688 -9.718 -1.026 1.00 10.00 O ATOM 234 CB CYS A 17 1.901 -11.767 -3.394 1.00 10.00 C ATOM 235 SG CYS A 17 2.851 -13.309 -3.395 1.00 10.00 S ATOM 0 H CYS A 17 -0.252 -13.035 -3.429 1.00 10.00 H new ATOM 0 HA CYS A 17 1.470 -12.066 -1.346 1.00 10.00 H new ATOM 0 HB2 CYS A 17 1.370 -11.655 -4.339 1.00 10.00 H new ATOM 0 HB3 CYS A 17 2.573 -10.914 -3.303 1.00 10.00 H new ATOM 0 HG CYS A 17 4.094 -13.053 -3.677 1.00 10.00 H new ATOM 241 N ALA A 18 -0.672 -9.998 -2.792 1.00 10.00 N ATOM 242 CA ALA A 18 -1.489 -8.808 -2.558 1.00 10.00 C ATOM 243 C ALA A 18 -1.948 -8.726 -1.088 1.00 10.00 C ATOM 244 O ALA A 18 -1.708 -7.734 -0.401 1.00 10.00 O ATOM 245 CB ALA A 18 -2.667 -8.789 -3.532 1.00 10.00 C ATOM 0 H ALA A 18 -0.923 -10.501 -3.643 1.00 10.00 H new ATOM 0 HA ALA A 18 -0.884 -7.920 -2.743 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -3.272 -7.900 -3.353 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -2.293 -8.773 -4.556 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -3.277 -9.680 -3.383 1.00 10.00 H new ATOM 251 N ASN A 19 -2.539 -9.807 -0.573 1.00 10.00 N ATOM 252 CA ASN A 19 -2.954 -9.897 0.835 1.00 10.00 C ATOM 253 C ASN A 19 -1.816 -9.566 1.818 1.00 10.00 C ATOM 254 O ASN A 19 -2.043 -9.074 2.921 1.00 10.00 O ATOM 255 CB ASN A 19 -3.607 -11.264 1.126 1.00 10.00 C ATOM 256 CG ASN A 19 -3.063 -11.961 2.374 1.00 10.00 C ATOM 257 OD1 ASN A 19 -3.651 -11.912 3.449 1.00 10.00 O ATOM 258 ND2 ASN A 19 -1.930 -12.647 2.246 1.00 10.00 N ATOM 0 H ASN A 19 -2.744 -10.645 -1.117 1.00 10.00 H new ATOM 0 HA ASN A 19 -3.708 -9.128 0.999 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -4.682 -11.125 1.240 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -3.460 -11.916 0.265 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -1.540 -13.141 3.048 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -1.452 -12.679 1.345 1.00 10.00 H new ATOM 265 N ARG A 20 -0.573 -9.851 1.437 1.00 10.00 N ATOM 266 CA ARG A 20 0.588 -9.617 2.268 1.00 10.00 C ATOM 267 C ARG A 20 0.863 -8.114 2.344 1.00 10.00 C ATOM 268 O ARG A 20 1.229 -7.611 3.410 1.00 10.00 O ATOM 269 CB ARG A 20 1.758 -10.430 1.698 1.00 10.00 C ATOM 270 CG ARG A 20 2.819 -10.801 2.739 1.00 10.00 C ATOM 271 CD ARG A 20 3.430 -12.160 2.370 1.00 10.00 C ATOM 272 NE ARG A 20 2.473 -13.249 2.646 1.00 10.00 N ATOM 273 CZ ARG A 20 2.424 -14.453 2.051 1.00 10.00 C ATOM 274 NH1 ARG A 20 3.257 -14.751 1.048 1.00 10.00 N ATOM 275 NH2 ARG A 20 1.537 -15.363 2.472 1.00 10.00 N ATOM 0 H ARG A 20 -0.349 -10.256 0.528 1.00 10.00 H new ATOM 0 HA ARG A 20 0.428 -9.950 3.294 1.00 10.00 H new ATOM 0 HB2 ARG A 20 1.369 -11.343 1.249 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.230 -9.858 0.899 1.00 10.00 H new ATOM 0 HG2 ARG A 20 3.595 -10.037 2.774 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.372 -10.847 3.732 1.00 10.00 H new ATOM 0 HD2 ARG A 20 3.704 -12.168 1.315 1.00 10.00 H new ATOM 0 HD3 ARG A 20 4.346 -12.320 2.939 1.00 10.00 H new ATOM 0 HE ARG A 20 1.773 -13.068 3.366 1.00 10.00 H new ATOM 0 HH11 ARG A 20 3.937 -14.062 0.728 1.00 10.00 H new ATOM 0 HH12 ARG A 20 3.212 -15.668 0.603 1.00 10.00 H new ATOM 0 HH21 ARG A 20 0.904 -15.141 3.240 1.00 10.00 H new ATOM 0 HH22 ARG A 20 1.495 -16.279 2.025 1.00 10.00 H new ATOM 289 N ILE A 21 0.643 -7.389 1.234 1.00 10.00 N ATOM 290 CA ILE A 21 0.721 -5.935 1.264 1.00 10.00 C ATOM 291 C ILE A 21 -0.264 -5.407 2.302 1.00 10.00 C ATOM 292 O ILE A 21 0.139 -4.595 3.125 1.00 10.00 O ATOM 293 CB ILE A 21 0.475 -5.230 -0.087 1.00 10.00 C ATOM 294 CG1 ILE A 21 0.915 -6.035 -1.309 1.00 10.00 C ATOM 295 CG2 ILE A 21 1.267 -3.917 -0.086 1.00 10.00 C ATOM 296 CD1 ILE A 21 0.737 -5.286 -2.633 1.00 10.00 C ATOM 0 H ILE A 21 0.414 -7.786 0.323 1.00 10.00 H new ATOM 0 HA ILE A 21 1.753 -5.700 1.523 1.00 10.00 H new ATOM 0 HB ILE A 21 -0.602 -5.088 -0.172 1.00 10.00 H new ATOM 0 HG12 ILE A 21 1.964 -6.309 -1.195 1.00 10.00 H new ATOM 0 HG13 ILE A 21 0.345 -6.963 -1.347 1.00 10.00 H new ATOM 0 HG21 ILE A 21 1.111 -3.397 -1.031 1.00 10.00 H new ATOM 0 HG22 ILE A 21 0.926 -3.287 0.735 1.00 10.00 H new ATOM 0 HG23 ILE A 21 2.328 -4.132 0.039 1.00 10.00 H new ATOM 0 HD11 ILE A 21 1.070 -5.918 -3.456 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -0.315 -5.035 -2.770 1.00 10.00 H new ATOM 0 HD13 ILE A 21 1.329 -4.371 -2.616 1.00 10.00 H new ATOM 308 N GLU A 22 -1.520 -5.874 2.290 1.00 10.00 N ATOM 309 CA GLU A 22 -2.543 -5.405 3.224 1.00 10.00 C ATOM 310 C GLU A 22 -2.024 -5.389 4.663 1.00 10.00 C ATOM 311 O GLU A 22 -2.199 -4.410 5.379 1.00 10.00 O ATOM 312 CB GLU A 22 -3.818 -6.258 3.151 1.00 10.00 C ATOM 313 CG GLU A 22 -4.439 -6.299 1.753 1.00 10.00 C ATOM 314 CD GLU A 22 -5.803 -6.974 1.785 1.00 10.00 C ATOM 315 OE1 GLU A 22 -5.816 -8.222 1.839 1.00 10.00 O ATOM 316 OE2 GLU A 22 -6.804 -6.227 1.778 1.00 10.00 O ATOM 0 H GLU A 22 -1.850 -6.583 1.635 1.00 10.00 H new ATOM 0 HA GLU A 22 -2.788 -4.386 2.924 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.585 -7.275 3.468 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.551 -5.865 3.855 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.539 -5.285 1.365 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.778 -6.837 1.073 1.00 10.00 H new ATOM 323 N LYS A 23 -1.375 -6.472 5.096 1.00 10.00 N ATOM 324 CA LYS A 23 -0.882 -6.612 6.454 1.00 10.00 C ATOM 325 C LYS A 23 0.335 -5.709 6.673 1.00 10.00 C ATOM 326 O LYS A 23 0.399 -4.965 7.651 1.00 10.00 O ATOM 327 CB LYS A 23 -0.612 -8.096 6.743 1.00 10.00 C ATOM 328 CG LYS A 23 -0.522 -8.361 8.254 1.00 10.00 C ATOM 329 CD LYS A 23 -0.638 -9.853 8.612 1.00 10.00 C ATOM 330 CE LYS A 23 -2.004 -10.437 8.201 1.00 10.00 C ATOM 331 NZ LYS A 23 -2.307 -11.713 8.881 1.00 10.00 N ATOM 0 H LYS A 23 -1.179 -7.279 4.504 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.632 -6.279 7.172 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -1.407 -8.704 6.311 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.318 -8.399 6.262 1.00 10.00 H new ATOM 0 HG2 LYS A 23 0.426 -7.976 8.629 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -1.313 -7.809 8.762 1.00 10.00 H new ATOM 0 HD2 LYS A 23 0.158 -10.408 8.117 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -0.496 -9.981 9.685 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -2.787 -9.714 8.429 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -2.018 -10.593 7.122 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.236 -12.061 8.568 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -1.577 -12.415 8.644 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -2.322 -11.563 9.910 1.00 10.00 H new ATOM 345 N ARG A 24 1.304 -5.765 5.755 1.00 10.00 N ATOM 346 CA ARG A 24 2.481 -4.903 5.805 1.00 10.00 C ATOM 347 C ARG A 24 2.120 -3.417 5.886 1.00 10.00 C ATOM 348 O ARG A 24 2.767 -2.678 6.626 1.00 10.00 O ATOM 349 CB ARG A 24 3.370 -5.185 4.590 1.00 10.00 C ATOM 350 CG ARG A 24 4.348 -6.335 4.879 1.00 10.00 C ATOM 351 CD ARG A 24 5.794 -5.827 4.834 1.00 10.00 C ATOM 352 NE ARG A 24 6.041 -4.757 5.813 1.00 10.00 N ATOM 353 CZ ARG A 24 7.186 -4.059 5.889 1.00 10.00 C ATOM 354 NH1 ARG A 24 8.237 -4.418 5.144 1.00 10.00 N ATOM 355 NH2 ARG A 24 7.261 -2.968 6.666 1.00 10.00 N ATOM 0 H ARG A 24 1.292 -6.406 4.962 1.00 10.00 H new ATOM 0 HA ARG A 24 3.026 -5.134 6.720 1.00 10.00 H new ATOM 0 HB2 ARG A 24 2.749 -5.438 3.731 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.927 -4.286 4.326 1.00 10.00 H new ATOM 0 HG2 ARG A 24 4.136 -6.764 5.858 1.00 10.00 H new ATOM 0 HG3 ARG A 24 4.212 -7.130 4.146 1.00 10.00 H new ATOM 0 HD2 ARG A 24 6.474 -6.657 5.027 1.00 10.00 H new ATOM 0 HD3 ARG A 24 6.016 -5.458 3.833 1.00 10.00 H new ATOM 0 HE ARG A 24 5.298 -4.532 6.474 1.00 10.00 H new ATOM 0 HH11 ARG A 24 8.169 -5.221 4.519 1.00 10.00 H new ATOM 0 HH12 ARG A 24 9.107 -3.889 5.201 1.00 10.00 H new ATOM 0 HH21 ARG A 24 6.447 -2.666 7.201 1.00 10.00 H new ATOM 0 HH22 ARG A 24 8.132 -2.440 6.721 1.00 10.00 H new ATOM 369 N LEU A 25 1.113 -2.992 5.127 1.00 10.00 N ATOM 370 CA LEU A 25 0.549 -1.655 5.166 1.00 10.00 C ATOM 371 C LEU A 25 -0.182 -1.450 6.484 1.00 10.00 C ATOM 372 O LEU A 25 0.097 -0.490 7.185 1.00 10.00 O ATOM 373 CB LEU A 25 -0.412 -1.458 3.992 1.00 10.00 C ATOM 374 CG LEU A 25 0.286 -0.840 2.767 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.381 -1.364 1.492 1.00 10.00 C ATOM 376 CD2 LEU A 25 0.055 0.665 2.826 1.00 10.00 C ATOM 0 H LEU A 25 0.654 -3.595 4.444 1.00 10.00 H new ATOM 0 HA LEU A 25 1.352 -0.922 5.085 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.846 -2.419 3.715 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.235 -0.814 4.302 1.00 10.00 H new ATOM 0 HG LEU A 25 1.347 -1.089 2.765 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.109 -0.930 0.620 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -0.292 -2.450 1.455 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.435 -1.086 1.492 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.536 1.141 1.971 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.015 0.870 2.800 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.479 1.062 3.748 1.00 10.00 H new ATOM 388 N ASN A 26 -1.099 -2.347 6.853 1.00 10.00 N ATOM 389 CA ASN A 26 -1.841 -2.239 8.106 1.00 10.00 C ATOM 390 C ASN A 26 -0.912 -2.105 9.310 1.00 10.00 C ATOM 391 O ASN A 26 -1.353 -1.649 10.360 1.00 10.00 O ATOM 392 CB ASN A 26 -2.794 -3.422 8.321 1.00 10.00 C ATOM 393 CG ASN A 26 -4.098 -3.326 7.533 1.00 10.00 C ATOM 394 OD1 ASN A 26 -4.318 -2.407 6.752 1.00 10.00 O ATOM 395 ND2 ASN A 26 -5.005 -4.274 7.761 1.00 10.00 N ATOM 0 H ASN A 26 -1.345 -3.163 6.294 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.436 -1.330 8.021 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.281 -4.343 8.042 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -3.029 -3.497 9.383 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -5.905 -4.245 7.281 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -4.800 -5.029 8.415 1.00 10.00 H new ATOM 402 N LYS A 27 0.364 -2.493 9.190 1.00 10.00 N ATOM 403 CA LYS A 27 1.321 -2.235 10.244 1.00 10.00 C ATOM 404 C LYS A 27 1.482 -0.740 10.583 1.00 10.00 C ATOM 405 O LYS A 27 1.900 -0.433 11.698 1.00 10.00 O ATOM 406 CB LYS A 27 2.667 -2.833 9.843 1.00 10.00 C ATOM 407 CG LYS A 27 3.353 -3.494 11.042 1.00 10.00 C ATOM 408 CD LYS A 27 4.833 -3.125 11.104 1.00 10.00 C ATOM 409 CE LYS A 27 5.553 -3.552 9.823 1.00 10.00 C ATOM 410 NZ LYS A 27 6.988 -3.194 9.898 1.00 10.00 N ATOM 0 H LYS A 27 0.743 -2.981 8.378 1.00 10.00 H new ATOM 0 HA LYS A 27 0.939 -2.705 11.150 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.521 -3.569 9.052 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.310 -2.052 9.437 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.859 -3.184 11.963 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.248 -4.577 10.973 1.00 10.00 H new ATOM 0 HD2 LYS A 27 4.939 -2.049 11.245 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.297 -3.606 11.965 1.00 10.00 H new ATOM 0 HE2 LYS A 27 5.446 -4.627 9.679 1.00 10.00 H new ATOM 0 HE3 LYS A 27 5.095 -3.067 8.961 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 7.501 -3.649 9.116 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 7.092 -2.162 9.827 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 7.380 -3.520 10.804 1.00 10.00 H new ATOM 424 N ILE A 28 1.226 0.183 9.644 1.00 10.00 N ATOM 425 CA ILE A 28 1.226 1.615 9.914 1.00 10.00 C ATOM 426 C ILE A 28 0.273 1.895 11.079 1.00 10.00 C ATOM 427 O ILE A 28 -0.853 1.405 11.086 1.00 10.00 O ATOM 428 CB ILE A 28 0.748 2.350 8.649 1.00 10.00 C ATOM 429 CG1 ILE A 28 1.768 2.251 7.490 1.00 10.00 C ATOM 430 CG2 ILE A 28 0.348 3.805 8.913 1.00 10.00 C ATOM 431 CD1 ILE A 28 1.027 2.156 6.165 1.00 10.00 C ATOM 0 H ILE A 28 1.013 -0.051 8.674 1.00 10.00 H new ATOM 0 HA ILE A 28 2.226 1.960 10.178 1.00 10.00 H new ATOM 0 HB ILE A 28 -0.157 1.829 8.336 1.00 10.00 H new ATOM 0 HG12 ILE A 28 2.421 3.124 7.491 1.00 10.00 H new ATOM 0 HG13 ILE A 28 2.404 1.377 7.626 1.00 10.00 H new ATOM 0 HG21 ILE A 28 0.021 4.267 7.982 1.00 10.00 H new ATOM 0 HG22 ILE A 28 -0.466 3.833 9.638 1.00 10.00 H new ATOM 0 HG23 ILE A 28 1.204 4.352 9.308 1.00 10.00 H new ATOM 0 HD11 ILE A 28 1.747 2.086 5.350 1.00 10.00 H new ATOM 0 HD12 ILE A 28 0.393 1.270 6.166 1.00 10.00 H new ATOM 0 HD13 ILE A 28 0.410 3.044 6.029 1.00 10.00 H new ATOM 443 N GLU A 29 0.696 2.703 12.051 1.00 10.00 N ATOM 444 CA GLU A 29 -0.154 3.025 13.184 1.00 10.00 C ATOM 445 C GLU A 29 -1.331 3.918 12.766 1.00 10.00 C ATOM 446 O GLU A 29 -2.475 3.621 13.100 1.00 10.00 O ATOM 447 CB GLU A 29 0.696 3.606 14.321 1.00 10.00 C ATOM 448 CG GLU A 29 1.523 2.478 14.958 1.00 10.00 C ATOM 449 CD GLU A 29 2.502 3.005 15.995 1.00 10.00 C ATOM 450 OE1 GLU A 29 3.625 3.356 15.578 1.00 10.00 O ATOM 451 OE2 GLU A 29 2.110 3.038 17.182 1.00 10.00 O ATOM 0 H GLU A 29 1.617 3.141 12.072 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.614 2.114 13.568 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.355 4.385 13.937 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.055 4.071 15.070 1.00 10.00 H new ATOM 0 HG2 GLU A 29 0.853 1.757 15.426 1.00 10.00 H new ATOM 0 HG3 GLU A 29 2.071 1.946 14.180 1.00 10.00 H new ATOM 458 N GLY A 30 -1.101 4.991 11.999 1.00 10.00 N ATOM 459 CA GLY A 30 -2.156 5.941 11.679 1.00 10.00 C ATOM 460 C GLY A 30 -2.937 5.502 10.452 1.00 10.00 C ATOM 461 O GLY A 30 -3.183 6.307 9.557 1.00 10.00 O ATOM 0 H GLY A 30 -0.193 5.217 11.593 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.832 6.037 12.528 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.722 6.925 11.504 1.00 10.00 H new ATOM 465 N VAL A 31 -3.308 4.226 10.393 1.00 10.00 N ATOM 466 CA VAL A 31 -3.994 3.645 9.258 1.00 10.00 C ATOM 467 C VAL A 31 -5.486 3.583 9.577 1.00 10.00 C ATOM 468 O VAL A 31 -5.873 3.440 10.735 1.00 10.00 O ATOM 469 CB VAL A 31 -3.360 2.278 8.934 1.00 10.00 C ATOM 470 CG1 VAL A 31 -4.176 1.080 9.431 1.00 10.00 C ATOM 471 CG2 VAL A 31 -3.033 2.164 7.444 1.00 10.00 C ATOM 0 H VAL A 31 -3.135 3.562 11.148 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.888 4.250 8.358 1.00 10.00 H new ATOM 0 HB VAL A 31 -2.427 2.239 9.496 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -3.664 0.155 9.164 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -4.283 1.137 10.514 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -5.163 1.095 8.968 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.587 1.190 7.243 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -3.948 2.271 6.861 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.331 2.949 7.164 1.00 10.00 H new ATOM 481 N ALA A 32 -6.318 3.688 8.543 1.00 10.00 N ATOM 482 CA ALA A 32 -7.729 3.349 8.614 1.00 10.00 C ATOM 483 C ALA A 32 -7.920 2.008 7.920 1.00 10.00 C ATOM 484 O ALA A 32 -8.424 1.066 8.524 1.00 10.00 O ATOM 485 CB ALA A 32 -8.579 4.430 7.944 1.00 10.00 C ATOM 0 H ALA A 32 -6.023 4.015 7.623 1.00 10.00 H new ATOM 0 HA ALA A 32 -8.049 3.284 9.654 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.632 4.157 8.008 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -8.420 5.383 8.449 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.291 4.522 6.897 1.00 10.00 H new ATOM 491 N ASN A 33 -7.524 1.927 6.645 1.00 10.00 N ATOM 492 CA ASN A 33 -7.794 0.779 5.794 1.00 10.00 C ATOM 493 C ASN A 33 -6.653 0.646 4.787 1.00 10.00 C ATOM 494 O ASN A 33 -6.002 1.637 4.467 1.00 10.00 O ATOM 495 CB ASN A 33 -9.122 0.977 5.039 1.00 10.00 C ATOM 496 CG ASN A 33 -10.323 1.264 5.934 1.00 10.00 C ATOM 497 OD1 ASN A 33 -10.769 0.393 6.672 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.887 2.467 5.862 1.00 10.00 N ATOM 0 H ASN A 33 -7.002 2.668 6.177 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.870 -0.121 6.405 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -9.005 1.800 4.334 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.328 0.082 4.452 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.708 2.680 6.428 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.498 3.176 5.241 1.00 10.00 H new ATOM 505 N ALA A 34 -6.429 -0.555 4.250 1.00 10.00 N ATOM 506 CA ALA A 34 -5.522 -0.765 3.120 1.00 10.00 C ATOM 507 C ALA A 34 -5.984 -1.896 2.185 1.00 10.00 C ATOM 508 O ALA A 34 -5.267 -2.880 2.029 1.00 10.00 O ATOM 509 CB ALA A 34 -4.099 -1.002 3.641 1.00 10.00 C ATOM 0 H ALA A 34 -6.872 -1.410 4.587 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.532 0.138 2.510 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.425 -1.158 2.799 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.771 -0.133 4.212 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.088 -1.883 4.283 1.00 10.00 H new ATOM 515 N PRO A 35 -7.162 -1.776 1.549 1.00 10.00 N ATOM 516 CA PRO A 35 -7.705 -2.805 0.676 1.00 10.00 C ATOM 517 C PRO A 35 -7.020 -2.736 -0.695 1.00 10.00 C ATOM 518 O PRO A 35 -7.513 -2.076 -1.608 1.00 10.00 O ATOM 519 CB PRO A 35 -9.202 -2.484 0.592 1.00 10.00 C ATOM 520 CG PRO A 35 -9.237 -0.958 0.696 1.00 10.00 C ATOM 521 CD PRO A 35 -8.088 -0.659 1.659 1.00 10.00 C ATOM 0 HA PRO A 35 -7.540 -3.818 1.043 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.637 -2.834 -0.344 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -9.761 -2.956 1.400 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -9.087 -0.483 -0.273 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -10.192 -0.600 1.082 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.598 0.279 1.400 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.454 -0.556 2.681 1.00 10.00 H new ATOM 529 N VAL A 36 -5.869 -3.392 -0.852 1.00 10.00 N ATOM 530 CA VAL A 36 -5.130 -3.368 -2.104 1.00 10.00 C ATOM 531 C VAL A 36 -5.848 -4.193 -3.179 1.00 10.00 C ATOM 532 O VAL A 36 -6.565 -5.140 -2.856 1.00 10.00 O ATOM 533 CB VAL A 36 -3.691 -3.840 -1.852 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.123 -3.181 -0.585 1.00 10.00 C ATOM 535 CG2 VAL A 36 -3.597 -5.361 -1.738 1.00 10.00 C ATOM 0 H VAL A 36 -5.430 -3.949 -0.119 1.00 10.00 H new ATOM 0 HA VAL A 36 -5.084 -2.349 -2.487 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.097 -3.536 -2.714 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.102 -3.527 -0.421 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -3.124 -2.098 -0.707 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -3.739 -3.450 0.273 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -2.561 -5.649 -1.560 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.216 -5.703 -0.909 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -3.947 -5.818 -2.664 1.00 10.00 H new ATOM 545 N ASN A 37 -5.642 -3.864 -4.460 1.00 10.00 N ATOM 546 CA ASN A 37 -6.357 -4.541 -5.538 1.00 10.00 C ATOM 547 C ASN A 37 -5.535 -5.703 -6.086 1.00 10.00 C ATOM 548 O ASN A 37 -4.386 -5.530 -6.488 1.00 10.00 O ATOM 549 CB ASN A 37 -6.705 -3.572 -6.668 1.00 10.00 C ATOM 550 CG ASN A 37 -7.685 -2.475 -6.252 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.492 -2.662 -5.350 1.00 10.00 O ATOM 552 ND2 ASN A 37 -7.650 -1.323 -6.918 1.00 10.00 N ATOM 0 H ASN A 37 -4.993 -3.141 -4.769 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.286 -4.930 -5.121 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.788 -3.109 -7.034 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.132 -4.134 -7.499 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -8.303 -0.576 -6.680 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -6.970 -1.187 -7.666 1.00 10.00 H new ATOM 559 N PHE A 38 -6.144 -6.887 -6.140 1.00 10.00 N ATOM 560 CA PHE A 38 -5.508 -8.149 -6.497 1.00 10.00 C ATOM 561 C PHE A 38 -5.907 -8.577 -7.912 1.00 10.00 C ATOM 562 O PHE A 38 -6.472 -9.649 -8.107 1.00 10.00 O ATOM 563 CB PHE A 38 -5.861 -9.200 -5.435 1.00 10.00 C ATOM 564 CG PHE A 38 -7.295 -9.197 -4.941 1.00 10.00 C ATOM 565 CD1 PHE A 38 -7.668 -8.358 -3.872 1.00 10.00 C ATOM 566 CD2 PHE A 38 -8.245 -10.063 -5.513 1.00 10.00 C ATOM 567 CE1 PHE A 38 -8.989 -8.367 -3.397 1.00 10.00 C ATOM 568 CE2 PHE A 38 -9.563 -10.086 -5.024 1.00 10.00 C ATOM 569 CZ PHE A 38 -9.936 -9.236 -3.969 1.00 10.00 C ATOM 0 H PHE A 38 -7.136 -6.995 -5.927 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.424 -8.034 -6.512 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -5.641 -10.187 -5.843 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -5.203 -9.056 -4.578 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -6.936 -7.707 -3.417 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -7.961 -10.711 -6.329 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.278 -7.707 -2.593 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -10.289 -10.757 -5.459 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.950 -9.250 -3.597 1.00 10.00 H new ATOM 579 N ALA A 39 -5.595 -7.727 -8.895 1.00 10.00 N ATOM 580 CA ALA A 39 -5.715 -8.005 -10.325 1.00 10.00 C ATOM 581 C ALA A 39 -5.418 -6.738 -11.125 1.00 10.00 C ATOM 582 O ALA A 39 -4.867 -6.801 -12.218 1.00 10.00 O ATOM 583 CB ALA A 39 -7.126 -8.483 -10.698 1.00 10.00 C ATOM 0 H ALA A 39 -5.238 -6.790 -8.706 1.00 10.00 H new ATOM 0 HA ALA A 39 -5.000 -8.793 -10.561 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.173 -8.679 -11.769 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.357 -9.398 -10.152 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.852 -7.712 -10.438 1.00 10.00 H new ATOM 589 N LEU A 40 -5.833 -5.588 -10.584 1.00 10.00 N ATOM 590 CA LEU A 40 -5.788 -4.303 -11.271 1.00 10.00 C ATOM 591 C LEU A 40 -4.404 -3.663 -11.151 1.00 10.00 C ATOM 592 O LEU A 40 -4.104 -2.704 -11.857 1.00 10.00 O ATOM 593 CB LEU A 40 -6.845 -3.361 -10.682 1.00 10.00 C ATOM 594 CG LEU A 40 -8.193 -4.027 -10.361 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.169 -2.926 -9.949 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.765 -4.834 -11.530 1.00 10.00 C ATOM 0 H LEU A 40 -6.215 -5.528 -9.640 1.00 10.00 H new ATOM 0 HA LEU A 40 -5.997 -4.474 -12.327 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.448 -2.917 -9.769 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -7.017 -2.545 -11.384 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.038 -4.745 -9.556 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.138 -3.368 -9.714 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.784 -2.408 -9.071 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.283 -2.216 -10.768 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.716 -5.277 -11.235 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.920 -4.176 -12.385 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.066 -5.625 -11.803 1.00 10.00 H new ATOM 608 N GLU A 41 -3.592 -4.196 -10.233 1.00 10.00 N ATOM 609 CA GLU A 41 -2.175 -3.897 -10.074 1.00 10.00 C ATOM 610 C GLU A 41 -1.979 -2.533 -9.405 1.00 10.00 C ATOM 611 O GLU A 41 -1.053 -1.785 -9.722 1.00 10.00 O ATOM 612 CB GLU A 41 -1.430 -4.052 -11.410 1.00 10.00 C ATOM 613 CG GLU A 41 -1.807 -5.359 -12.130 1.00 10.00 C ATOM 614 CD GLU A 41 -0.700 -5.848 -13.054 1.00 10.00 C ATOM 615 OE1 GLU A 41 0.187 -6.560 -12.533 1.00 10.00 O ATOM 616 OE2 GLU A 41 -0.765 -5.514 -14.256 1.00 10.00 O ATOM 0 H GLU A 41 -3.925 -4.878 -9.552 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.726 -4.626 -9.399 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.660 -3.203 -12.054 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.355 -4.034 -11.230 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -2.027 -6.129 -11.390 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.718 -5.203 -12.708 1.00 10.00 H new ATOM 623 N THR A 42 -2.852 -2.239 -8.435 1.00 10.00 N ATOM 624 CA THR A 42 -2.893 -0.989 -7.699 1.00 10.00 C ATOM 625 C THR A 42 -3.115 -1.282 -6.218 1.00 10.00 C ATOM 626 O THR A 42 -4.042 -2.012 -5.867 1.00 10.00 O ATOM 627 CB THR A 42 -4.051 -0.134 -8.219 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.230 -0.909 -8.175 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.774 0.362 -9.635 1.00 10.00 C ATOM 0 H THR A 42 -3.573 -2.896 -8.137 1.00 10.00 H new ATOM 0 HA THR A 42 -1.952 -0.456 -7.832 1.00 10.00 H new ATOM 0 HB THR A 42 -4.167 0.749 -7.590 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.687 -0.859 -9.040 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.613 0.967 -9.979 1.00 10.00 H new ATOM 0 HG22 THR A 42 -2.866 0.965 -9.638 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.645 -0.491 -10.301 1.00 10.00 H new ATOM 637 N VAL A 43 -2.316 -0.674 -5.353 1.00 10.00 N ATOM 638 CA VAL A 43 -2.569 -0.635 -3.918 1.00 10.00 C ATOM 639 C VAL A 43 -3.366 0.631 -3.624 1.00 10.00 C ATOM 640 O VAL A 43 -3.099 1.677 -4.214 1.00 10.00 O ATOM 641 CB VAL A 43 -1.232 -0.652 -3.169 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.247 -0.075 -1.751 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.597 -2.045 -3.150 1.00 10.00 C ATOM 0 H VAL A 43 -1.463 -0.188 -5.630 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.141 -1.502 -3.587 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.620 0.031 -3.758 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.248 -0.140 -1.321 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.559 0.969 -1.786 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.945 -0.642 -1.135 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.348 -2.007 -2.608 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.270 -2.745 -2.656 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.416 -2.376 -4.173 1.00 10.00 H new ATOM 653 N THR A 44 -4.305 0.527 -2.685 1.00 10.00 N ATOM 654 CA THR A 44 -5.145 1.609 -2.219 1.00 10.00 C ATOM 655 C THR A 44 -5.014 1.647 -0.702 1.00 10.00 C ATOM 656 O THR A 44 -5.232 0.622 -0.058 1.00 10.00 O ATOM 657 CB THR A 44 -6.586 1.323 -2.656 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.641 1.394 -4.067 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.548 2.333 -2.030 1.00 10.00 C ATOM 0 H THR A 44 -4.503 -0.355 -2.213 1.00 10.00 H new ATOM 0 HA THR A 44 -4.854 2.575 -2.632 1.00 10.00 H new ATOM 0 HB THR A 44 -6.887 0.331 -2.320 1.00 10.00 H new ATOM 0 HG1 THR A 44 -7.556 1.212 -4.368 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.566 2.114 -2.352 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.489 2.267 -0.944 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.276 3.340 -2.348 1.00 10.00 H new ATOM 667 N VAL A 45 -4.636 2.799 -0.138 1.00 10.00 N ATOM 668 CA VAL A 45 -4.459 2.962 1.295 1.00 10.00 C ATOM 669 C VAL A 45 -5.318 4.115 1.775 1.00 10.00 C ATOM 670 O VAL A 45 -5.403 5.138 1.104 1.00 10.00 O ATOM 671 CB VAL A 45 -2.989 3.227 1.634 1.00 10.00 C ATOM 672 CG1 VAL A 45 -2.754 3.064 3.143 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.106 2.244 0.871 1.00 10.00 C ATOM 0 H VAL A 45 -4.445 3.646 -0.673 1.00 10.00 H new ATOM 0 HA VAL A 45 -4.762 2.043 1.796 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.737 4.247 1.345 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -1.705 3.255 3.371 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.378 3.773 3.687 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.011 2.048 3.444 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.060 2.432 1.112 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.366 1.225 1.156 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.260 2.372 -0.200 1.00 10.00 H new ATOM 683 N GLU A 46 -5.910 3.949 2.953 1.00 10.00 N ATOM 684 CA GLU A 46 -6.527 5.008 3.722 1.00 10.00 C ATOM 685 C GLU A 46 -5.722 5.151 5.009 1.00 10.00 C ATOM 686 O GLU A 46 -5.792 4.276 5.875 1.00 10.00 O ATOM 687 CB GLU A 46 -8.001 4.681 3.984 1.00 10.00 C ATOM 688 CG GLU A 46 -8.765 5.946 4.403 1.00 10.00 C ATOM 689 CD GLU A 46 -10.269 5.728 4.391 1.00 10.00 C ATOM 690 OE1 GLU A 46 -10.672 4.557 4.223 1.00 10.00 O ATOM 691 OE2 GLU A 46 -10.985 6.743 4.505 1.00 10.00 O ATOM 0 H GLU A 46 -5.972 3.039 3.409 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.519 5.956 3.184 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.451 4.258 3.086 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.079 3.926 4.766 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.449 6.247 5.402 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -8.511 6.764 3.729 1.00 10.00 H new ATOM 698 N TYR A 47 -4.931 6.222 5.125 1.00 10.00 N ATOM 699 CA TYR A 47 -4.099 6.472 6.293 1.00 10.00 C ATOM 700 C TYR A 47 -3.930 7.967 6.489 1.00 10.00 C ATOM 701 O TYR A 47 -4.109 8.747 5.559 1.00 10.00 O ATOM 702 CB TYR A 47 -2.727 5.798 6.166 1.00 10.00 C ATOM 703 CG TYR A 47 -1.733 6.529 5.280 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.916 6.589 3.885 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.730 7.312 5.882 1.00 10.00 C ATOM 706 CE1 TYR A 47 -1.128 7.458 3.108 1.00 10.00 C ATOM 707 CE2 TYR A 47 0.003 8.230 5.115 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.210 8.318 3.732 1.00 10.00 C ATOM 709 OH TYR A 47 0.454 9.260 3.004 1.00 10.00 O ATOM 0 H TYR A 47 -4.854 6.940 4.405 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.598 6.042 7.162 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.296 5.695 7.162 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.868 4.791 5.774 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.662 5.968 3.411 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.524 7.206 6.937 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -1.229 7.464 2.033 1.00 10.00 H new ATOM 0 HE2 TYR A 47 0.732 8.870 5.590 1.00 10.00 H new ATOM 0 HH TYR A 47 1.392 9.292 3.288 1.00 10.00 H new ATOM 719 N ASN A 48 -3.590 8.367 7.707 1.00 10.00 N ATOM 720 CA ASN A 48 -3.355 9.767 8.026 1.00 10.00 C ATOM 721 C ASN A 48 -1.890 10.121 7.772 1.00 10.00 C ATOM 722 O ASN A 48 -1.005 9.433 8.283 1.00 10.00 O ATOM 723 CB ASN A 48 -3.835 10.133 9.440 1.00 10.00 C ATOM 724 CG ASN A 48 -3.070 9.506 10.607 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.890 9.767 10.826 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.777 8.735 11.430 1.00 10.00 N ATOM 0 H ASN A 48 -3.470 7.733 8.497 1.00 10.00 H new ATOM 0 HA ASN A 48 -3.960 10.382 7.359 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.789 11.217 9.546 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.884 9.849 9.528 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -3.340 8.346 12.265 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.756 8.533 11.225 1.00 10.00 H new ATOM 733 N PRO A 49 -1.596 11.188 7.009 1.00 10.00 N ATOM 734 CA PRO A 49 -0.243 11.697 6.868 1.00 10.00 C ATOM 735 C PRO A 49 0.137 12.459 8.142 1.00 10.00 C ATOM 736 O PRO A 49 0.426 13.652 8.101 1.00 10.00 O ATOM 737 CB PRO A 49 -0.284 12.578 5.614 1.00 10.00 C ATOM 738 CG PRO A 49 -1.706 13.135 5.635 1.00 10.00 C ATOM 739 CD PRO A 49 -2.520 11.971 6.201 1.00 10.00 C ATOM 0 HA PRO A 49 0.517 10.925 6.750 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.462 13.372 5.654 1.00 10.00 H new ATOM 0 HB3 PRO A 49 -0.089 12.002 4.709 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.783 14.024 6.261 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -2.044 13.417 4.638 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.353 12.334 6.803 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -2.945 11.367 5.400 1.00 10.00 H new ATOM 747 N LYS A 50 0.127 11.760 9.281 1.00 10.00 N ATOM 748 CA LYS A 50 0.596 12.273 10.558 1.00 10.00 C ATOM 749 C LYS A 50 1.535 11.212 11.133 1.00 10.00 C ATOM 750 O LYS A 50 2.669 11.514 11.494 1.00 10.00 O ATOM 751 CB LYS A 50 -0.603 12.653 11.463 1.00 10.00 C ATOM 752 CG LYS A 50 -0.558 12.015 12.859 1.00 10.00 C ATOM 753 CD LYS A 50 -1.738 12.378 13.769 1.00 10.00 C ATOM 754 CE LYS A 50 -1.833 11.203 14.752 1.00 10.00 C ATOM 755 NZ LYS A 50 -2.731 11.412 15.898 1.00 10.00 N ATOM 0 H LYS A 50 -0.216 10.801 9.335 1.00 10.00 H new ATOM 0 HA LYS A 50 1.156 13.203 10.463 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.634 13.737 11.571 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.527 12.355 10.968 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -0.523 10.931 12.747 1.00 10.00 H new ATOM 0 HG3 LYS A 50 0.368 12.315 13.351 1.00 10.00 H new ATOM 0 HD2 LYS A 50 -1.564 13.320 14.290 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -2.659 12.495 13.198 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -2.167 10.321 14.206 1.00 10.00 H new ATOM 0 HE3 LYS A 50 -0.834 10.985 15.130 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 -2.727 10.565 16.501 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 -2.405 12.232 16.449 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -3.697 11.587 15.555 1.00 10.00 H new ATOM 769 N GLU A 51 1.050 9.969 11.208 1.00 10.00 N ATOM 770 CA GLU A 51 1.731 8.892 11.910 1.00 10.00 C ATOM 771 C GLU A 51 2.792 8.247 11.005 1.00 10.00 C ATOM 772 O GLU A 51 3.905 7.968 11.444 1.00 10.00 O ATOM 773 CB GLU A 51 0.662 7.888 12.372 1.00 10.00 C ATOM 774 CG GLU A 51 0.838 7.427 13.822 1.00 10.00 C ATOM 775 CD GLU A 51 0.326 8.480 14.798 1.00 10.00 C ATOM 776 OE1 GLU A 51 -0.903 8.487 15.033 1.00 10.00 O ATOM 777 OE2 GLU A 51 1.141 9.309 15.249 1.00 10.00 O ATOM 0 H GLU A 51 0.169 9.686 10.779 1.00 10.00 H new ATOM 0 HA GLU A 51 2.266 9.268 12.782 1.00 10.00 H new ATOM 0 HB2 GLU A 51 -0.323 8.342 12.261 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.687 7.017 11.717 1.00 10.00 H new ATOM 0 HG2 GLU A 51 0.301 6.491 13.977 1.00 10.00 H new ATOM 0 HG3 GLU A 51 1.891 7.226 14.018 1.00 10.00 H new ATOM 784 N ALA A 52 2.443 8.006 9.735 1.00 10.00 N ATOM 785 CA ALA A 52 3.321 7.425 8.723 1.00 10.00 C ATOM 786 C ALA A 52 3.200 8.232 7.435 1.00 10.00 C ATOM 787 O ALA A 52 2.549 9.276 7.409 1.00 10.00 O ATOM 788 CB ALA A 52 2.952 5.959 8.504 1.00 10.00 C ATOM 0 H ALA A 52 1.512 8.218 9.377 1.00 10.00 H new ATOM 0 HA ALA A 52 4.359 7.462 9.055 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.608 5.528 7.748 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.066 5.411 9.439 1.00 10.00 H new ATOM 0 HB3 ALA A 52 1.917 5.891 8.168 1.00 10.00 H new ATOM 794 N SER A 53 3.839 7.756 6.366 1.00 10.00 N ATOM 795 CA SER A 53 3.858 8.432 5.084 1.00 10.00 C ATOM 796 C SER A 53 3.869 7.407 3.959 1.00 10.00 C ATOM 797 O SER A 53 4.174 6.230 4.159 1.00 10.00 O ATOM 798 CB SER A 53 5.105 9.317 5.006 1.00 10.00 C ATOM 799 OG SER A 53 6.263 8.514 5.142 1.00 10.00 O ATOM 0 H SER A 53 4.361 6.880 6.374 1.00 10.00 H new ATOM 0 HA SER A 53 2.967 9.051 4.980 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.128 9.849 4.055 1.00 10.00 H new ATOM 0 HB3 SER A 53 5.078 10.072 5.792 1.00 10.00 H new ATOM 0 HG SER A 53 7.049 9.089 5.251 1.00 10.00 H new ATOM 805 N VAL A 54 3.611 7.896 2.748 1.00 10.00 N ATOM 806 CA VAL A 54 3.823 7.144 1.529 1.00 10.00 C ATOM 807 C VAL A 54 5.220 6.524 1.491 1.00 10.00 C ATOM 808 O VAL A 54 5.363 5.368 1.106 1.00 10.00 O ATOM 809 CB VAL A 54 3.513 8.032 0.318 1.00 10.00 C ATOM 810 CG1 VAL A 54 2.024 8.396 0.377 1.00 10.00 C ATOM 811 CG2 VAL A 54 4.364 9.306 0.224 1.00 10.00 C ATOM 0 H VAL A 54 3.246 8.835 2.592 1.00 10.00 H new ATOM 0 HA VAL A 54 3.134 6.300 1.496 1.00 10.00 H new ATOM 0 HB VAL A 54 3.763 7.462 -0.577 1.00 10.00 H new ATOM 0 HG11 VAL A 54 1.770 9.029 -0.473 1.00 10.00 H new ATOM 0 HG12 VAL A 54 1.425 7.486 0.343 1.00 10.00 H new ATOM 0 HG13 VAL A 54 1.817 8.932 1.303 1.00 10.00 H new ATOM 0 HG21 VAL A 54 4.076 9.871 -0.662 1.00 10.00 H new ATOM 0 HG22 VAL A 54 4.204 9.917 1.112 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.418 9.035 0.155 1.00 10.00 H new ATOM 821 N SER A 55 6.245 7.267 1.917 1.00 10.00 N ATOM 822 CA SER A 55 7.615 6.790 1.994 1.00 10.00 C ATOM 823 C SER A 55 7.741 5.530 2.856 1.00 10.00 C ATOM 824 O SER A 55 8.443 4.594 2.456 1.00 10.00 O ATOM 825 CB SER A 55 8.496 7.920 2.530 1.00 10.00 C ATOM 826 OG SER A 55 8.298 9.073 1.734 1.00 10.00 O ATOM 0 H SER A 55 6.136 8.234 2.222 1.00 10.00 H new ATOM 0 HA SER A 55 7.946 6.506 0.995 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.246 8.132 3.569 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.545 7.623 2.509 1.00 10.00 H new ATOM 0 HG SER A 55 8.858 9.803 2.071 1.00 10.00 H new ATOM 832 N ASP A 56 7.079 5.512 4.018 1.00 10.00 N ATOM 833 CA ASP A 56 7.100 4.368 4.923 1.00 10.00 C ATOM 834 C ASP A 56 6.466 3.168 4.229 1.00 10.00 C ATOM 835 O ASP A 56 7.092 2.125 4.058 1.00 10.00 O ATOM 836 CB ASP A 56 6.350 4.688 6.222 1.00 10.00 C ATOM 837 CG ASP A 56 6.160 3.424 7.054 1.00 10.00 C ATOM 838 OD1 ASP A 56 7.059 3.137 7.869 1.00 10.00 O ATOM 839 OD2 ASP A 56 5.126 2.759 6.838 1.00 10.00 O ATOM 0 H ASP A 56 6.515 6.293 4.354 1.00 10.00 H new ATOM 0 HA ASP A 56 8.134 4.137 5.180 1.00 10.00 H new ATOM 0 HB2 ASP A 56 6.906 5.429 6.797 1.00 10.00 H new ATOM 0 HB3 ASP A 56 5.380 5.127 5.990 1.00 10.00 H new ATOM 844 N LEU A 57 5.224 3.321 3.783 1.00 10.00 N ATOM 845 CA LEU A 57 4.494 2.169 3.274 1.00 10.00 C ATOM 846 C LEU A 57 5.118 1.662 1.970 1.00 10.00 C ATOM 847 O LEU A 57 5.336 0.464 1.792 1.00 10.00 O ATOM 848 CB LEU A 57 3.001 2.475 3.237 1.00 10.00 C ATOM 849 CG LEU A 57 2.570 3.542 2.230 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.335 2.943 0.841 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.311 4.263 2.723 1.00 10.00 C ATOM 0 H LEU A 57 4.715 4.204 3.763 1.00 10.00 H new ATOM 0 HA LEU A 57 4.585 1.319 3.950 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.465 1.553 3.014 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.689 2.793 4.232 1.00 10.00 H new ATOM 0 HG LEU A 57 3.381 4.265 2.145 1.00 10.00 H new ATOM 0 HD11 LEU A 57 2.030 3.731 0.152 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.256 2.484 0.482 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.551 2.188 0.898 1.00 10.00 H new ATOM 0 HD21 LEU A 57 1.017 5.019 1.996 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.503 3.542 2.844 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.517 4.741 3.681 1.00 10.00 H new ATOM 863 N LYS A 58 5.514 2.583 1.093 1.00 10.00 N ATOM 864 CA LYS A 58 6.492 2.314 0.042 1.00 10.00 C ATOM 865 C LYS A 58 7.636 1.423 0.523 1.00 10.00 C ATOM 866 O LYS A 58 7.945 0.435 -0.131 1.00 10.00 O ATOM 867 CB LYS A 58 7.036 3.624 -0.544 1.00 10.00 C ATOM 868 CG LYS A 58 8.040 3.408 -1.685 1.00 10.00 C ATOM 869 CD LYS A 58 9.440 4.011 -1.447 1.00 10.00 C ATOM 870 CE LYS A 58 10.367 3.191 -0.528 1.00 10.00 C ATOM 871 NZ LYS A 58 10.406 3.673 0.873 1.00 10.00 N ATOM 0 H LYS A 58 5.163 3.541 1.092 1.00 10.00 H new ATOM 0 HA LYS A 58 5.970 1.767 -0.743 1.00 10.00 H new ATOM 0 HB2 LYS A 58 6.203 4.223 -0.911 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.516 4.197 0.249 1.00 10.00 H new ATOM 0 HG2 LYS A 58 8.147 2.337 -1.856 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.627 3.837 -2.598 1.00 10.00 H new ATOM 0 HD2 LYS A 58 9.932 4.136 -2.412 1.00 10.00 H new ATOM 0 HD3 LYS A 58 9.320 5.006 -1.019 1.00 10.00 H new ATOM 0 HE2 LYS A 58 10.041 2.151 -0.535 1.00 10.00 H new ATOM 0 HE3 LYS A 58 11.377 3.211 -0.937 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 10.939 2.998 1.458 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 10.871 4.603 0.907 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 9.436 3.757 1.238 1.00 10.00 H new ATOM 885 N GLU A 59 8.299 1.774 1.627 1.00 10.00 N ATOM 886 CA GLU A 59 9.389 0.976 2.157 1.00 10.00 C ATOM 887 C GLU A 59 8.892 -0.425 2.487 1.00 10.00 C ATOM 888 O GLU A 59 9.545 -1.417 2.165 1.00 10.00 O ATOM 889 CB GLU A 59 9.950 1.645 3.415 1.00 10.00 C ATOM 890 CG GLU A 59 11.418 1.259 3.611 1.00 10.00 C ATOM 891 CD GLU A 59 11.682 0.805 5.041 1.00 10.00 C ATOM 892 OE1 GLU A 59 11.122 -0.255 5.405 1.00 10.00 O ATOM 893 OE2 GLU A 59 12.423 1.531 5.734 1.00 10.00 O ATOM 0 H GLU A 59 8.092 2.613 2.169 1.00 10.00 H new ATOM 0 HA GLU A 59 10.179 0.902 1.410 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.860 2.728 3.330 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.368 1.344 4.286 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.682 0.460 2.918 1.00 10.00 H new ATOM 0 HG3 GLU A 59 12.056 2.111 3.373 1.00 10.00 H new ATOM 900 N ALA A 60 7.710 -0.498 3.104 1.00 10.00 N ATOM 901 CA ALA A 60 7.124 -1.765 3.481 1.00 10.00 C ATOM 902 C ALA A 60 7.091 -2.711 2.279 1.00 10.00 C ATOM 903 O ALA A 60 7.511 -3.869 2.377 1.00 10.00 O ATOM 904 CB ALA A 60 5.745 -1.562 4.125 1.00 10.00 C ATOM 0 H ALA A 60 7.146 0.316 3.349 1.00 10.00 H new ATOM 0 HA ALA A 60 7.747 -2.238 4.240 1.00 10.00 H new ATOM 0 HB1 ALA A 60 5.326 -2.530 4.399 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.848 -0.945 5.017 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.082 -1.067 3.416 1.00 10.00 H new ATOM 910 N VAL A 61 6.630 -2.181 1.146 1.00 10.00 N ATOM 911 CA VAL A 61 6.601 -2.877 -0.132 1.00 10.00 C ATOM 912 C VAL A 61 8.006 -3.124 -0.701 1.00 10.00 C ATOM 913 O VAL A 61 8.330 -4.249 -1.080 1.00 10.00 O ATOM 914 CB VAL A 61 5.666 -2.130 -1.094 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.521 -2.902 -2.411 1.00 10.00 C ATOM 916 CG2 VAL A 61 4.282 -2.004 -0.449 1.00 10.00 C ATOM 0 H VAL A 61 6.258 -1.233 1.095 1.00 10.00 H new ATOM 0 HA VAL A 61 6.195 -3.878 0.016 1.00 10.00 H new ATOM 0 HB VAL A 61 6.088 -1.146 -1.299 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.855 -2.358 -3.080 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.499 -3.008 -2.880 1.00 10.00 H new ATOM 0 HG13 VAL A 61 5.106 -3.890 -2.210 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.612 -1.474 -1.126 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.883 -2.998 -0.247 1.00 10.00 H new ATOM 0 HG23 VAL A 61 4.365 -1.450 0.486 1.00 10.00 H new ATOM 926 N ASP A 62 8.872 -2.109 -0.716 1.00 10.00 N ATOM 927 CA ASP A 62 10.199 -2.235 -1.309 1.00 10.00 C ATOM 928 C ASP A 62 10.955 -3.370 -0.611 1.00 10.00 C ATOM 929 O ASP A 62 11.684 -4.137 -1.238 1.00 10.00 O ATOM 930 CB ASP A 62 10.940 -0.884 -1.248 1.00 10.00 C ATOM 931 CG ASP A 62 11.907 -0.646 -2.407 1.00 10.00 C ATOM 932 OD1 ASP A 62 11.960 -1.468 -3.348 1.00 10.00 O ATOM 933 OD2 ASP A 62 12.555 0.420 -2.413 1.00 10.00 O ATOM 0 H ASP A 62 8.675 -1.189 -0.322 1.00 10.00 H new ATOM 0 HA ASP A 62 10.124 -2.495 -2.365 1.00 10.00 H new ATOM 0 HB2 ASP A 62 10.205 -0.080 -1.232 1.00 10.00 H new ATOM 0 HB3 ASP A 62 11.493 -0.828 -0.311 1.00 10.00 H new ATOM 938 N LYS A 63 10.721 -3.516 0.698 1.00 10.00 N ATOM 939 CA LYS A 63 11.342 -4.548 1.506 1.00 10.00 C ATOM 940 C LYS A 63 10.648 -5.903 1.346 1.00 10.00 C ATOM 941 O LYS A 63 11.302 -6.927 1.550 1.00 10.00 O ATOM 942 CB LYS A 63 11.391 -4.118 2.975 1.00 10.00 C ATOM 943 CG LYS A 63 12.537 -4.833 3.726 1.00 10.00 C ATOM 944 CD LYS A 63 12.114 -5.606 4.991 1.00 10.00 C ATOM 945 CE LYS A 63 12.547 -7.083 4.965 1.00 10.00 C ATOM 946 NZ LYS A 63 11.813 -7.887 3.962 1.00 10.00 N ATOM 0 H LYS A 63 10.088 -2.911 1.222 1.00 10.00 H new ATOM 0 HA LYS A 63 12.363 -4.677 1.148 1.00 10.00 H new ATOM 0 HB2 LYS A 63 11.529 -3.039 3.037 1.00 10.00 H new ATOM 0 HB3 LYS A 63 10.440 -4.345 3.456 1.00 10.00 H new ATOM 0 HG2 LYS A 63 13.021 -5.528 3.040 1.00 10.00 H new ATOM 0 HG3 LYS A 63 13.284 -4.091 4.007 1.00 10.00 H new ATOM 0 HD2 LYS A 63 12.545 -5.122 5.867 1.00 10.00 H new ATOM 0 HD3 LYS A 63 11.031 -5.552 5.098 1.00 10.00 H new ATOM 0 HE2 LYS A 63 13.615 -7.138 4.755 1.00 10.00 H new ATOM 0 HE3 LYS A 63 12.394 -7.518 5.953 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 12.299 -8.796 3.823 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 10.844 -8.060 4.298 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 11.780 -7.370 3.060 1.00 10.00 H new ATOM 960 N LEU A 64 9.343 -5.957 1.044 1.00 10.00 N ATOM 961 CA LEU A 64 8.723 -7.184 0.575 1.00 10.00 C ATOM 962 C LEU A 64 9.475 -7.745 -0.636 1.00 10.00 C ATOM 963 O LEU A 64 9.707 -8.950 -0.687 1.00 10.00 O ATOM 964 CB LEU A 64 7.249 -6.937 0.237 1.00 10.00 C ATOM 965 CG LEU A 64 6.346 -7.047 1.463 1.00 10.00 C ATOM 966 CD1 LEU A 64 5.051 -6.260 1.240 1.00 10.00 C ATOM 967 CD2 LEU A 64 6.030 -8.515 1.723 1.00 10.00 C ATOM 0 H LEU A 64 8.706 -5.164 1.119 1.00 10.00 H new ATOM 0 HA LEU A 64 8.774 -7.925 1.372 1.00 10.00 H new ATOM 0 HB2 LEU A 64 7.141 -5.946 -0.203 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.926 -7.657 -0.515 1.00 10.00 H new ATOM 0 HG LEU A 64 6.859 -6.627 2.328 1.00 10.00 H new ATOM 0 HD11 LEU A 64 4.416 -6.347 2.122 1.00 10.00 H new ATOM 0 HD12 LEU A 64 5.288 -5.211 1.066 1.00 10.00 H new ATOM 0 HD13 LEU A 64 4.526 -6.662 0.374 1.00 10.00 H new ATOM 0 HD21 LEU A 64 5.385 -8.599 2.598 1.00 10.00 H new ATOM 0 HD22 LEU A 64 5.522 -8.937 0.856 1.00 10.00 H new ATOM 0 HD23 LEU A 64 6.957 -9.061 1.902 1.00 10.00 H new ATOM 979 N GLY A 65 9.870 -6.883 -1.580 1.00 10.00 N ATOM 980 CA GLY A 65 10.760 -7.280 -2.673 1.00 10.00 C ATOM 981 C GLY A 65 10.386 -6.673 -4.023 1.00 10.00 C ATOM 982 O GLY A 65 11.174 -6.736 -4.964 1.00 10.00 O ATOM 0 H GLY A 65 9.586 -5.904 -1.607 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.780 -6.987 -2.423 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.752 -8.367 -2.759 1.00 10.00 H new ATOM 986 N TYR A 66 9.180 -6.119 -4.133 1.00 10.00 N ATOM 987 CA TYR A 66 8.647 -5.480 -5.330 1.00 10.00 C ATOM 988 C TYR A 66 8.457 -4.004 -5.008 1.00 10.00 C ATOM 989 O TYR A 66 8.417 -3.648 -3.835 1.00 10.00 O ATOM 990 CB TYR A 66 7.337 -6.160 -5.754 1.00 10.00 C ATOM 991 CG TYR A 66 6.426 -6.622 -4.629 1.00 10.00 C ATOM 992 CD1 TYR A 66 6.733 -7.807 -3.934 1.00 10.00 C ATOM 993 CD2 TYR A 66 5.251 -5.914 -4.312 1.00 10.00 C ATOM 994 CE1 TYR A 66 5.903 -8.250 -2.895 1.00 10.00 C ATOM 995 CE2 TYR A 66 4.378 -6.410 -3.326 1.00 10.00 C ATOM 996 CZ TYR A 66 4.697 -7.588 -2.628 1.00 10.00 C ATOM 997 OH TYR A 66 3.826 -8.143 -1.739 1.00 10.00 O ATOM 0 H TYR A 66 8.521 -6.104 -3.355 1.00 10.00 H new ATOM 0 HA TYR A 66 9.330 -5.578 -6.174 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.779 -5.467 -6.384 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.584 -7.024 -6.372 1.00 10.00 H new ATOM 0 HD1 TYR A 66 7.611 -8.376 -4.202 1.00 10.00 H new ATOM 0 HD2 TYR A 66 5.020 -4.992 -4.825 1.00 10.00 H new ATOM 0 HE1 TYR A 66 6.193 -9.103 -2.299 1.00 10.00 H new ATOM 0 HE2 TYR A 66 3.461 -5.884 -3.105 1.00 10.00 H new ATOM 0 HH TYR A 66 4.325 -8.656 -1.069 1.00 10.00 H new ATOM 1007 N LYS A 67 8.388 -3.135 -6.017 1.00 10.00 N ATOM 1008 CA LYS A 67 8.391 -1.702 -5.796 1.00 10.00 C ATOM 1009 C LYS A 67 6.979 -1.126 -5.799 1.00 10.00 C ATOM 1010 O LYS A 67 6.035 -1.729 -6.309 1.00 10.00 O ATOM 1011 CB LYS A 67 9.317 -1.027 -6.815 1.00 10.00 C ATOM 1012 CG LYS A 67 10.699 -0.848 -6.169 1.00 10.00 C ATOM 1013 CD LYS A 67 11.709 -0.168 -7.103 1.00 10.00 C ATOM 1014 CE LYS A 67 12.955 0.307 -6.334 1.00 10.00 C ATOM 1015 NZ LYS A 67 13.451 -0.689 -5.361 1.00 10.00 N ATOM 0 H LYS A 67 8.329 -3.408 -6.998 1.00 10.00 H new ATOM 0 HA LYS A 67 8.785 -1.495 -4.801 1.00 10.00 H new ATOM 0 HB2 LYS A 67 9.396 -1.634 -7.717 1.00 10.00 H new ATOM 0 HB3 LYS A 67 8.911 -0.061 -7.115 1.00 10.00 H new ATOM 0 HG2 LYS A 67 10.596 -0.256 -5.260 1.00 10.00 H new ATOM 0 HG3 LYS A 67 11.085 -1.823 -5.872 1.00 10.00 H new ATOM 0 HD2 LYS A 67 12.007 -0.864 -7.887 1.00 10.00 H new ATOM 0 HD3 LYS A 67 11.237 0.683 -7.594 1.00 10.00 H new ATOM 0 HE2 LYS A 67 13.748 0.537 -7.046 1.00 10.00 H new ATOM 0 HE3 LYS A 67 12.720 1.233 -5.809 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 14.337 -0.348 -4.937 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 12.741 -0.828 -4.614 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 13.624 -1.592 -5.847 1.00 10.00 H new ATOM 1029 N LEU A 68 6.868 0.058 -5.193 1.00 10.00 N ATOM 1030 CA LEU A 68 5.642 0.805 -5.006 1.00 10.00 C ATOM 1031 C LEU A 68 5.946 2.263 -5.311 1.00 10.00 C ATOM 1032 O LEU A 68 7.038 2.740 -4.989 1.00 10.00 O ATOM 1033 CB LEU A 68 5.224 0.700 -3.534 1.00 10.00 C ATOM 1034 CG LEU A 68 3.825 1.275 -3.277 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.776 0.323 -3.835 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.563 1.538 -1.801 1.00 10.00 C ATOM 0 H LEU A 68 7.678 0.539 -4.802 1.00 10.00 H new ATOM 0 HA LEU A 68 4.850 0.422 -5.650 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.245 -0.346 -3.228 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.949 1.228 -2.915 1.00 10.00 H new ATOM 0 HG LEU A 68 3.766 2.238 -3.784 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.781 0.730 -3.653 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.928 0.202 -4.908 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.866 -0.646 -3.344 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.559 1.944 -1.676 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.649 0.605 -1.244 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.293 2.254 -1.424 1.00 10.00 H new ATOM 1048 N LYS A 69 4.970 2.989 -5.849 1.00 10.00 N ATOM 1049 CA LYS A 69 4.995 4.427 -5.891 1.00 10.00 C ATOM 1050 C LYS A 69 3.566 4.935 -5.956 1.00 10.00 C ATOM 1051 O LYS A 69 2.702 4.201 -6.429 1.00 10.00 O ATOM 1052 CB LYS A 69 5.810 4.880 -7.108 1.00 10.00 C ATOM 1053 CG LYS A 69 6.320 6.309 -6.944 1.00 10.00 C ATOM 1054 CD LYS A 69 7.078 6.414 -5.613 1.00 10.00 C ATOM 1055 CE LYS A 69 8.150 7.510 -5.709 1.00 10.00 C ATOM 1056 NZ LYS A 69 8.962 7.615 -4.481 1.00 10.00 N ATOM 0 H LYS A 69 4.136 2.580 -6.270 1.00 10.00 H new ATOM 0 HA LYS A 69 5.468 4.836 -4.998 1.00 10.00 H new ATOM 0 HB2 LYS A 69 6.655 4.206 -7.252 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.193 4.814 -8.004 1.00 10.00 H new ATOM 0 HG2 LYS A 69 6.976 6.573 -7.774 1.00 10.00 H new ATOM 0 HG3 LYS A 69 5.487 7.011 -6.960 1.00 10.00 H new ATOM 0 HD2 LYS A 69 6.383 6.642 -4.805 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.543 5.458 -5.372 1.00 10.00 H new ATOM 0 HE2 LYS A 69 8.803 7.301 -6.556 1.00 10.00 H new ATOM 0 HE3 LYS A 69 7.669 8.468 -5.906 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 9.670 8.368 -4.596 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.345 7.841 -3.675 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 9.444 6.710 -4.305 1.00 10.00 H new ATOM 1070 N LEU A 70 3.313 6.157 -5.471 1.00 10.00 N ATOM 1071 CA LEU A 70 1.987 6.743 -5.584 1.00 10.00 C ATOM 1072 C LEU A 70 1.584 6.895 -7.045 1.00 10.00 C ATOM 1073 O LEU A 70 2.419 6.957 -7.948 1.00 10.00 O ATOM 1074 CB LEU A 70 1.883 8.133 -4.945 1.00 10.00 C ATOM 1075 CG LEU A 70 1.673 8.177 -3.433 1.00 10.00 C ATOM 1076 CD1 LEU A 70 1.728 9.657 -3.047 1.00 10.00 C ATOM 1077 CD2 LEU A 70 0.290 7.634 -3.067 1.00 10.00 C ATOM 0 H LEU A 70 4.003 6.746 -5.004 1.00 10.00 H new ATOM 0 HA LEU A 70 1.327 6.056 -5.055 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.794 8.684 -5.179 1.00 10.00 H new ATOM 0 HB3 LEU A 70 1.058 8.665 -5.419 1.00 10.00 H new ATOM 0 HG LEU A 70 2.424 7.577 -2.920 1.00 10.00 H new ATOM 0 HD11 LEU A 70 1.584 9.758 -1.971 1.00 10.00 H new ATOM 0 HD12 LEU A 70 2.698 10.069 -3.323 1.00 10.00 H new ATOM 0 HD13 LEU A 70 0.941 10.199 -3.571 1.00 10.00 H new ATOM 0 HD21 LEU A 70 0.158 7.673 -1.986 1.00 10.00 H new ATOM 0 HD22 LEU A 70 -0.478 8.240 -3.548 1.00 10.00 H new ATOM 0 HD23 LEU A 70 0.203 6.602 -3.406 1.00 10.00 H new ATOM 1089 N LYS A 71 0.275 7.021 -7.217 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.434 7.304 -8.431 1.00 10.00 C ATOM 1091 C LYS A 71 -1.052 8.690 -8.257 1.00 10.00 C ATOM 1092 O LYS A 71 -0.789 9.599 -9.040 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.493 6.206 -8.531 1.00 10.00 C ATOM 1094 CG LYS A 71 -2.487 6.432 -9.667 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.153 5.394 -10.730 1.00 10.00 C ATOM 1096 CE LYS A 71 -3.060 5.372 -11.956 1.00 10.00 C ATOM 1097 NZ LYS A 71 -2.585 4.299 -12.855 1.00 10.00 N ATOM 0 H LYS A 71 -0.365 6.916 -6.430 1.00 10.00 H new ATOM 0 HA LYS A 71 0.175 7.312 -9.335 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.999 5.245 -8.675 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -2.036 6.147 -7.588 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -3.513 6.316 -9.317 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -2.399 7.442 -10.067 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -1.129 5.562 -11.064 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -2.179 4.408 -10.266 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -4.094 5.193 -11.662 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -3.036 6.335 -12.466 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -2.000 4.712 -13.610 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.018 3.617 -12.312 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -3.402 3.813 -13.277 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.876 8.839 -7.217 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.525 10.093 -6.891 1.00 10.00 C ATOM 1113 C GLY A 72 -3.389 9.914 -5.650 1.00 10.00 C ATOM 1114 O GLY A 72 -2.936 10.184 -4.540 1.00 10.00 O ATOM 0 H GLY A 72 -2.108 8.080 -6.577 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.777 10.867 -6.717 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -3.138 10.425 -7.729 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.618 9.428 -5.833 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.640 9.390 -4.805 1.00 10.00 C ATOM 1120 C GLU A 73 -6.749 8.457 -5.268 1.00 10.00 C ATOM 1121 O GLU A 73 -6.828 8.150 -6.458 1.00 10.00 O ATOM 1122 CB GLU A 73 -6.167 10.802 -4.503 1.00 10.00 C ATOM 1123 CG GLU A 73 -6.702 11.527 -5.746 1.00 10.00 C ATOM 1124 CD GLU A 73 -7.207 12.916 -5.379 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -6.345 13.813 -5.264 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -8.436 13.050 -5.205 1.00 10.00 O ATOM 0 H GLU A 73 -4.930 9.042 -6.724 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.221 9.011 -3.873 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -6.961 10.735 -3.760 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -5.366 11.395 -4.061 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -5.914 11.607 -6.495 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -7.509 10.947 -6.193 1.00 10.00 H new ATOM 1133 N GLN A 74 -7.570 7.982 -4.331 1.00 10.00 N ATOM 1134 CA GLN A 74 -8.635 7.055 -4.642 1.00 10.00 C ATOM 1135 C GLN A 74 -9.681 7.639 -5.591 1.00 10.00 C ATOM 1136 O GLN A 74 -10.101 8.780 -5.419 1.00 10.00 O ATOM 1137 CB GLN A 74 -9.255 6.576 -3.327 1.00 10.00 C ATOM 1138 CG GLN A 74 -9.284 5.056 -3.283 1.00 10.00 C ATOM 1139 CD GLN A 74 -10.460 4.495 -4.074 1.00 10.00 C ATOM 1140 OE1 GLN A 74 -11.602 4.595 -3.633 1.00 10.00 O ATOM 1141 NE2 GLN A 74 -10.203 3.929 -5.247 1.00 10.00 N ATOM 0 H GLN A 74 -7.509 8.233 -3.344 1.00 10.00 H new ATOM 0 HA GLN A 74 -8.214 6.207 -5.183 1.00 10.00 H new ATOM 0 HB2 GLN A 74 -8.681 6.961 -2.484 1.00 10.00 H new ATOM 0 HB3 GLN A 74 -10.267 6.969 -3.229 1.00 10.00 H new ATOM 0 HG2 GLN A 74 -8.352 4.662 -3.687 1.00 10.00 H new ATOM 0 HG3 GLN A 74 -9.349 4.722 -2.247 1.00 10.00 H new ATOM 0 HE21 GLN A 74 -9.242 3.863 -5.582 1.00 10.00 H new ATOM 0 HE22 GLN A 74 -10.967 3.560 -5.813 1.00 10.00 H new ATOM 1150 N ASP A 75 -10.131 6.807 -6.540 1.00 10.00 N ATOM 1151 CA ASP A 75 -11.169 7.105 -7.527 1.00 10.00 C ATOM 1152 C ASP A 75 -12.342 7.852 -6.880 1.00 10.00 C ATOM 1153 O ASP A 75 -12.726 8.944 -7.295 1.00 10.00 O ATOM 1154 CB ASP A 75 -11.609 5.776 -8.168 1.00 10.00 C ATOM 1155 CG ASP A 75 -12.364 5.951 -9.481 1.00 10.00 C ATOM 1156 OD1 ASP A 75 -12.849 7.071 -9.738 1.00 10.00 O ATOM 1157 OD2 ASP A 75 -12.429 4.944 -10.218 1.00 10.00 O ATOM 0 H ASP A 75 -9.761 5.862 -6.642 1.00 10.00 H new ATOM 0 HA ASP A 75 -10.780 7.766 -8.302 1.00 10.00 H new ATOM 0 HB2 ASP A 75 -10.728 5.159 -8.345 1.00 10.00 H new ATOM 0 HB3 ASP A 75 -12.242 5.235 -7.464 1.00 10.00 H new ATOM 1162 N SER A 76 -12.839 7.284 -5.777 1.00 10.00 N ATOM 1163 CA SER A 76 -13.867 7.876 -4.930 1.00 10.00 C ATOM 1164 C SER A 76 -15.222 7.938 -5.646 1.00 10.00 C ATOM 1165 O SER A 76 -15.414 7.359 -6.712 1.00 10.00 O ATOM 1166 CB SER A 76 -13.421 9.260 -4.421 1.00 10.00 C ATOM 1167 OG SER A 76 -14.258 9.696 -3.359 1.00 10.00 O ATOM 0 H SER A 76 -12.525 6.373 -5.443 1.00 10.00 H new ATOM 0 HA SER A 76 -14.002 7.231 -4.062 1.00 10.00 H new ATOM 0 HB2 SER A 76 -12.387 9.212 -4.080 1.00 10.00 H new ATOM 0 HB3 SER A 76 -13.454 9.982 -5.237 1.00 10.00 H new ATOM 0 HG SER A 76 -13.959 10.576 -3.047 1.00 10.00 H new ATOM 1173 N ILE A 77 -16.177 8.624 -5.012 1.00 10.00 N ATOM 1174 CA ILE A 77 -17.516 8.886 -5.540 1.00 10.00 C ATOM 1175 C ILE A 77 -17.984 10.280 -5.072 1.00 10.00 C ATOM 1176 O ILE A 77 -19.179 10.538 -4.953 1.00 10.00 O ATOM 1177 CB ILE A 77 -18.512 7.787 -5.100 1.00 10.00 C ATOM 1178 CG1 ILE A 77 -17.890 6.381 -4.959 1.00 10.00 C ATOM 1179 CG2 ILE A 77 -19.686 7.719 -6.093 1.00 10.00 C ATOM 1180 CD1 ILE A 77 -18.887 5.325 -4.475 1.00 10.00 C ATOM 0 H ILE A 77 -16.033 9.025 -4.085 1.00 10.00 H new ATOM 0 HA ILE A 77 -17.479 8.870 -6.629 1.00 10.00 H new ATOM 0 HB ILE A 77 -18.849 8.077 -4.105 1.00 10.00 H new ATOM 0 HG12 ILE A 77 -17.483 6.073 -5.922 1.00 10.00 H new ATOM 0 HG13 ILE A 77 -17.054 6.429 -4.261 1.00 10.00 H new ATOM 0 HG21 ILE A 77 -20.384 6.943 -5.778 1.00 10.00 H new ATOM 0 HG22 ILE A 77 -20.198 8.681 -6.117 1.00 10.00 H new ATOM 0 HG23 ILE A 77 -19.308 7.485 -7.088 1.00 10.00 H new ATOM 0 HD11 ILE A 77 -18.386 4.360 -4.397 1.00 10.00 H new ATOM 0 HD12 ILE A 77 -19.275 5.612 -3.498 1.00 10.00 H new ATOM 0 HD13 ILE A 77 -19.711 5.250 -5.185 1.00 10.00 H new ATOM 1192 N GLU A 78 -17.032 11.173 -4.778 1.00 10.00 N ATOM 1193 CA GLU A 78 -17.283 12.479 -4.174 1.00 10.00 C ATOM 1194 C GLU A 78 -17.884 12.317 -2.764 1.00 10.00 C ATOM 1195 O GLU A 78 -17.816 11.226 -2.196 1.00 10.00 O ATOM 1196 CB GLU A 78 -18.092 13.361 -5.145 1.00 10.00 C ATOM 1197 CG GLU A 78 -17.513 14.777 -5.280 1.00 10.00 C ATOM 1198 CD GLU A 78 -18.051 15.462 -6.532 1.00 10.00 C ATOM 1199 OE1 GLU A 78 -17.413 15.277 -7.591 1.00 10.00 O ATOM 1200 OE2 GLU A 78 -19.099 16.130 -6.413 1.00 10.00 O ATOM 0 H GLU A 78 -16.043 11.000 -4.959 1.00 10.00 H new ATOM 0 HA GLU A 78 -16.348 13.016 -4.012 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -18.115 12.887 -6.126 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -19.123 13.426 -4.798 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -17.769 15.365 -4.399 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -16.425 14.728 -5.325 1.00 10.00 H new ATOM 1207 N GLY A 79 -18.408 13.390 -2.157 1.00 10.00 N ATOM 1208 CA GLY A 79 -18.869 13.340 -0.771 1.00 10.00 C ATOM 1209 C GLY A 79 -19.824 14.484 -0.426 1.00 10.00 C ATOM 1210 O GLY A 79 -20.998 14.431 -0.788 1.00 10.00 O ATOM 0 H GLY A 79 -18.521 14.299 -2.606 1.00 10.00 H new ATOM 0 HA2 GLY A 79 -19.369 12.388 -0.593 1.00 10.00 H new ATOM 0 HA3 GLY A 79 -18.008 13.377 -0.104 1.00 10.00 H new ATOM 1214 N ARG A 80 -19.328 15.492 0.300 1.00 10.00 N ATOM 1215 CA ARG A 80 -19.997 16.780 0.434 1.00 10.00 C ATOM 1216 C ARG A 80 -19.525 17.652 -0.726 1.00 10.00 C ATOM 1217 O ARG A 80 -20.245 18.628 -1.027 1.00 10.00 O ATOM 1218 CB ARG A 80 -19.628 17.464 1.766 1.00 10.00 C ATOM 1219 CG ARG A 80 -20.776 17.464 2.786 1.00 10.00 C ATOM 1220 CD ARG A 80 -20.454 18.444 3.924 1.00 10.00 C ATOM 1221 NE ARG A 80 -21.569 18.563 4.877 1.00 10.00 N ATOM 1222 CZ ARG A 80 -21.684 19.529 5.806 1.00 10.00 C ATOM 1223 NH1 ARG A 80 -20.716 20.443 5.942 1.00 10.00 N ATOM 1224 NH2 ARG A 80 -22.764 19.579 6.595 1.00 10.00 N ATOM 1225 OXT ARG A 80 -18.427 17.350 -1.245 1.00 10.00 O ATOM 0 H ARG A 80 -18.447 15.432 0.811 1.00 10.00 H new ATOM 0 HA ARG A 80 -21.078 16.639 0.422 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -18.766 16.958 2.200 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -19.327 18.493 1.567 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -21.708 17.750 2.299 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -20.920 16.461 3.186 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -19.561 18.108 4.450 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -20.228 19.425 3.506 1.00 10.00 H new ATOM 0 HE ARG A 80 -22.308 17.862 4.830 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -19.892 20.407 5.342 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -20.802 21.176 6.646 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -23.503 18.883 6.493 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -22.848 20.313 7.298 1.00 10.00 H new TER 1239 ARG A 80