USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 471 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 42 SER OG : rot 76:sc= 1.18 USER MOD Set 1.2: A 44 GLN :FLIP amide:sc= -0.0364 F(o=0.0044,f=1.1) USER MOD Single : A 1 SER N :NH3+ -178:sc= 1.09 (180deg=1.06) USER MOD Single : A 1 SER OG : rot 180:sc= 0.00179 USER MOD Single : A 2 ASN : amide:sc= -0.236 K(o=-0.24,f=-11!) USER MOD Single : A 4 MET CE :methyl 164:sc= -0.0602 (180deg=-0.398) USER MOD Single : A 9 GLN : amide:sc=-0.00401 X(o=-0.004,f=-0.2) USER MOD Single : A 15 LYS NZ :NH3+ -148:sc= 0.718 (180deg=-0.806!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 147:sc= 0 (180deg=-1.09) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-1.8!,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0403 USER MOD Single : A 53 ASN : amide:sc= -0.548 K(o=-0.55,f=-1.7!) USER MOD Single : A 54 GLN : amide:sc= -0.615! C(o=-0.61!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -19.692 3.090 -5.314 1.00 0.00 N ATOM 2 CA SER A 1 -19.847 2.985 -6.745 1.00 0.00 C ATOM 3 C SER A 1 -18.521 2.567 -7.350 1.00 0.00 C ATOM 4 O SER A 1 -17.618 3.386 -7.516 1.00 0.00 O ATOM 5 CB SER A 1 -20.300 4.333 -7.286 1.00 0.00 C ATOM 6 OG SER A 1 -21.463 4.773 -6.583 1.00 0.00 O ATOM 0 H1 SER A 1 -20.604 3.343 -4.884 1.00 0.00 H new ATOM 0 H2 SER A 1 -19.370 2.178 -4.932 1.00 0.00 H new ATOM 0 H3 SER A 1 -18.990 3.825 -5.094 1.00 0.00 H new ATOM 0 HA SER A 1 -20.596 2.237 -7.004 1.00 0.00 H new ATOM 0 HB2 SER A 1 -19.500 5.066 -7.178 1.00 0.00 H new ATOM 0 HB3 SER A 1 -20.517 4.253 -8.351 1.00 0.00 H new ATOM 0 HG SER A 1 -21.749 5.642 -6.935 1.00 0.00 H new ATOM 14 N ASN A 2 -18.392 1.291 -7.661 1.00 0.00 N ATOM 15 CA ASN A 2 -17.115 0.775 -8.077 1.00 0.00 C ATOM 16 C ASN A 2 -16.868 1.029 -9.541 1.00 0.00 C ATOM 17 O ASN A 2 -17.789 1.057 -10.352 1.00 0.00 O ATOM 18 CB ASN A 2 -16.950 -0.715 -7.710 1.00 0.00 C ATOM 19 CG ASN A 2 -15.479 -1.123 -7.509 1.00 0.00 C ATOM 20 OD1 ASN A 2 -14.562 -0.552 -8.099 1.00 0.00 O ATOM 21 ND2 ASN A 2 -15.246 -2.085 -6.657 1.00 0.00 N ATOM 0 H ASN A 2 -19.148 0.606 -7.632 1.00 0.00 H new ATOM 0 HA ASN A 2 -16.349 1.319 -7.524 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -17.508 -0.923 -6.797 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -17.388 -1.329 -8.497 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -14.287 -2.378 -6.468 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -16.023 -2.543 -6.180 1.00 0.00 H new ATOM 28 N ALA A 3 -15.615 1.205 -9.826 1.00 0.00 N ATOM 29 CA ALA A 3 -15.051 1.520 -11.107 1.00 0.00 C ATOM 30 C ALA A 3 -13.555 1.517 -10.891 1.00 0.00 C ATOM 31 O ALA A 3 -12.775 1.083 -11.721 1.00 0.00 O ATOM 32 CB ALA A 3 -15.519 2.888 -11.611 1.00 0.00 C ATOM 0 H ALA A 3 -14.896 1.125 -9.107 1.00 0.00 H new ATOM 0 HA ALA A 3 -15.363 0.800 -11.864 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -15.070 3.090 -12.584 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -16.605 2.889 -11.705 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -15.215 3.660 -10.904 1.00 0.00 H new ATOM 38 N MET A 4 -13.197 2.018 -9.724 1.00 0.00 N ATOM 39 CA MET A 4 -11.834 2.048 -9.212 1.00 0.00 C ATOM 40 C MET A 4 -11.923 2.259 -7.704 1.00 0.00 C ATOM 41 O MET A 4 -11.021 2.806 -7.069 1.00 0.00 O ATOM 42 CB MET A 4 -11.019 3.184 -9.868 1.00 0.00 C ATOM 43 CG MET A 4 -11.562 4.586 -9.620 1.00 0.00 C ATOM 44 SD MET A 4 -10.515 5.875 -10.324 1.00 0.00 S ATOM 45 CE MET A 4 -10.597 5.490 -12.076 1.00 0.00 C ATOM 0 H MET A 4 -13.871 2.432 -9.080 1.00 0.00 H new ATOM 0 HA MET A 4 -11.323 1.114 -9.444 1.00 0.00 H new ATOM 0 HB2 MET A 4 -9.994 3.136 -9.500 1.00 0.00 H new ATOM 0 HB3 MET A 4 -10.980 3.010 -10.943 1.00 0.00 H new ATOM 0 HG2 MET A 4 -12.562 4.664 -10.046 1.00 0.00 H new ATOM 0 HG3 MET A 4 -11.659 4.749 -8.547 1.00 0.00 H new ATOM 0 HE1 MET A 4 -10.245 6.345 -12.653 1.00 0.00 H new ATOM 0 HE2 MET A 4 -9.968 4.625 -12.288 1.00 0.00 H new ATOM 0 HE3 MET A 4 -11.628 5.266 -12.351 1.00 0.00 H new ATOM 55 N GLU A 5 -12.997 1.737 -7.139 1.00 0.00 N ATOM 56 CA GLU A 5 -13.326 1.930 -5.765 1.00 0.00 C ATOM 57 C GLU A 5 -12.636 0.845 -4.971 1.00 0.00 C ATOM 58 O GLU A 5 -12.310 -0.222 -5.509 1.00 0.00 O ATOM 59 CB GLU A 5 -14.858 1.910 -5.617 1.00 0.00 C ATOM 60 CG GLU A 5 -15.427 2.207 -4.237 1.00 0.00 C ATOM 61 CD GLU A 5 -16.927 2.428 -4.297 1.00 0.00 C ATOM 62 OE1 GLU A 5 -17.369 3.601 -4.288 1.00 0.00 O ATOM 63 OE2 GLU A 5 -17.707 1.447 -4.445 1.00 0.00 O ATOM 0 H GLU A 5 -13.668 1.159 -7.644 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.984 2.893 -5.385 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -15.275 2.634 -6.317 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -15.214 0.927 -5.925 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.206 1.379 -3.564 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.943 3.092 -3.824 1.00 0.00 H new ATOM 70 N LEU A 6 -12.435 1.097 -3.730 1.00 0.00 N ATOM 71 CA LEU A 6 -11.645 0.287 -2.910 1.00 0.00 C ATOM 72 C LEU A 6 -12.394 -0.011 -1.664 1.00 0.00 C ATOM 73 O LEU A 6 -13.176 0.808 -1.191 1.00 0.00 O ATOM 74 CB LEU A 6 -10.366 1.036 -2.524 1.00 0.00 C ATOM 75 CG LEU A 6 -9.466 1.491 -3.663 1.00 0.00 C ATOM 76 CD1 LEU A 6 -8.292 2.279 -3.118 1.00 0.00 C ATOM 77 CD2 LEU A 6 -8.972 0.308 -4.470 1.00 0.00 C ATOM 0 H LEU A 6 -12.835 1.904 -3.250 1.00 0.00 H new ATOM 0 HA LEU A 6 -11.397 -0.630 -3.444 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.649 1.914 -1.943 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.782 0.393 -1.866 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.050 2.133 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.655 2.599 -3.942 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.659 3.154 -2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.717 1.651 -2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.331 0.661 -5.278 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.406 -0.362 -3.824 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.824 -0.227 -4.890 1.00 0.00 H new ATOM 89 N ASP A 7 -12.145 -1.154 -1.141 1.00 0.00 N ATOM 90 CA ASP A 7 -12.675 -1.589 0.137 1.00 0.00 C ATOM 91 C ASP A 7 -11.683 -1.225 1.230 1.00 0.00 C ATOM 92 O ASP A 7 -11.800 -1.619 2.377 1.00 0.00 O ATOM 93 CB ASP A 7 -12.965 -3.092 0.120 1.00 0.00 C ATOM 94 CG ASP A 7 -11.721 -3.963 -0.038 1.00 0.00 C ATOM 95 OD1 ASP A 7 -11.027 -3.854 -1.080 1.00 0.00 O ATOM 96 OD2 ASP A 7 -11.446 -4.801 0.839 1.00 0.00 O ATOM 0 H ASP A 7 -11.549 -1.850 -1.590 1.00 0.00 H new ATOM 0 HA ASP A 7 -13.621 -1.084 0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -13.471 -3.364 1.046 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -13.654 -3.309 -0.696 1.00 0.00 H new ATOM 101 N LEU A 8 -10.769 -0.408 0.828 1.00 0.00 N ATOM 102 CA LEU A 8 -9.715 0.112 1.640 1.00 0.00 C ATOM 103 C LEU A 8 -10.029 1.583 1.850 1.00 0.00 C ATOM 104 O LEU A 8 -10.563 2.236 0.930 1.00 0.00 O ATOM 105 CB LEU A 8 -8.351 0.016 0.912 1.00 0.00 C ATOM 106 CG LEU A 8 -7.874 -1.350 0.346 1.00 0.00 C ATOM 107 CD1 LEU A 8 -8.056 -2.473 1.321 1.00 0.00 C ATOM 108 CD2 LEU A 8 -8.484 -1.678 -1.009 1.00 0.00 C ATOM 0 H LEU A 8 -10.733 -0.064 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.649 -0.450 2.572 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.375 0.722 0.082 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -7.586 0.366 1.606 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.802 -1.239 0.185 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.706 -3.403 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.482 -2.267 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.112 -2.567 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -8.112 -2.644 -1.351 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.570 -1.718 -0.919 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.208 -0.907 -1.729 1.00 0.00 H new ATOM 120 N GLN A 9 -9.742 2.111 3.003 1.00 0.00 N ATOM 121 CA GLN A 9 -10.039 3.503 3.291 1.00 0.00 C ATOM 122 C GLN A 9 -8.763 4.321 3.530 1.00 0.00 C ATOM 123 O GLN A 9 -7.695 3.769 3.678 1.00 0.00 O ATOM 124 CB GLN A 9 -10.997 3.591 4.487 1.00 0.00 C ATOM 125 CG GLN A 9 -12.391 3.055 4.189 1.00 0.00 C ATOM 126 CD GLN A 9 -13.106 3.876 3.123 1.00 0.00 C ATOM 127 OE1 GLN A 9 -13.804 4.833 3.428 1.00 0.00 O ATOM 128 NE2 GLN A 9 -12.912 3.535 1.873 1.00 0.00 N ATOM 0 H GLN A 9 -9.300 1.604 3.770 1.00 0.00 H new ATOM 0 HA GLN A 9 -10.527 3.939 2.419 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -10.574 3.035 5.323 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -11.076 4.631 4.803 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -12.317 2.019 3.859 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -12.983 3.057 5.104 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -12.325 2.732 1.649 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -13.348 4.073 1.124 1.00 0.00 H new ATOM 137 N PRO A 10 -8.838 5.657 3.507 1.00 0.00 N ATOM 138 CA PRO A 10 -7.696 6.477 3.814 1.00 0.00 C ATOM 139 C PRO A 10 -7.478 6.563 5.330 1.00 0.00 C ATOM 140 O PRO A 10 -8.355 6.993 6.080 1.00 0.00 O ATOM 141 CB PRO A 10 -8.030 7.835 3.203 1.00 0.00 C ATOM 142 CG PRO A 10 -9.514 7.852 2.983 1.00 0.00 C ATOM 143 CD PRO A 10 -10.026 6.451 3.180 1.00 0.00 C ATOM 0 HA PRO A 10 -6.765 6.075 3.414 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.727 8.644 3.868 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.497 7.979 2.263 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.996 8.536 3.682 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -9.747 8.206 1.979 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.762 6.409 3.983 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -10.514 6.079 2.279 1.00 0.00 H new ATOM 151 N GLY A 11 -6.318 6.131 5.759 1.00 0.00 N ATOM 152 CA GLY A 11 -6.004 6.049 7.162 1.00 0.00 C ATOM 153 C GLY A 11 -6.010 4.602 7.607 1.00 0.00 C ATOM 154 O GLY A 11 -5.841 4.294 8.794 1.00 0.00 O ATOM 0 H GLY A 11 -5.564 5.826 5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.027 6.493 7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -6.731 6.620 7.740 1.00 0.00 H new ATOM 158 N ASP A 12 -6.160 3.728 6.632 1.00 0.00 N ATOM 159 CA ASP A 12 -6.274 2.274 6.818 1.00 0.00 C ATOM 160 C ASP A 12 -4.911 1.658 7.192 1.00 0.00 C ATOM 161 O ASP A 12 -3.908 2.380 7.379 1.00 0.00 O ATOM 162 CB ASP A 12 -6.711 1.674 5.485 1.00 0.00 C ATOM 163 CG ASP A 12 -7.575 0.450 5.592 1.00 0.00 C ATOM 164 OD1 ASP A 12 -8.640 0.443 4.944 1.00 0.00 O ATOM 165 OD2 ASP A 12 -7.203 -0.489 6.316 1.00 0.00 O ATOM 0 H ASP A 12 -6.209 4.008 5.652 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.986 2.067 7.617 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.252 2.434 4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.821 1.423 4.908 1.00 0.00 H new ATOM 170 N VAL A 13 -4.880 0.349 7.282 1.00 0.00 N ATOM 171 CA VAL A 13 -3.690 -0.452 7.535 1.00 0.00 C ATOM 172 C VAL A 13 -3.835 -1.691 6.666 1.00 0.00 C ATOM 173 O VAL A 13 -4.635 -2.574 6.955 1.00 0.00 O ATOM 174 CB VAL A 13 -3.534 -0.888 9.033 1.00 0.00 C ATOM 175 CG1 VAL A 13 -2.259 -1.704 9.232 1.00 0.00 C ATOM 176 CG2 VAL A 13 -3.539 0.311 9.977 1.00 0.00 C ATOM 0 H VAL A 13 -5.720 -0.220 7.177 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.804 0.140 7.306 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.395 -1.510 9.276 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.173 -1.995 10.279 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -2.298 -2.598 8.609 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.395 -1.103 8.950 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.429 -0.035 11.005 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.711 0.975 9.727 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.481 0.851 9.875 1.00 0.00 H new ATOM 186 N VAL A 14 -3.072 -1.751 5.615 1.00 0.00 N ATOM 187 CA VAL A 14 -3.280 -2.746 4.599 1.00 0.00 C ATOM 188 C VAL A 14 -1.988 -3.441 4.200 1.00 0.00 C ATOM 189 O VAL A 14 -0.895 -3.122 4.693 1.00 0.00 O ATOM 190 CB VAL A 14 -3.887 -2.087 3.315 1.00 0.00 C ATOM 191 CG1 VAL A 14 -5.253 -1.485 3.586 1.00 0.00 C ATOM 192 CG2 VAL A 14 -2.948 -1.023 2.752 1.00 0.00 C ATOM 0 H VAL A 14 -2.293 -1.118 5.436 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.962 -3.484 5.021 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.007 -2.878 2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.641 -1.037 2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.934 -2.266 3.925 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.167 -0.719 4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.392 -0.580 1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.787 -0.247 3.501 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.993 -1.481 2.492 1.00 0.00 H new ATOM 202 N LYS A 15 -2.135 -4.399 3.336 1.00 0.00 N ATOM 203 CA LYS A 15 -1.034 -5.051 2.673 1.00 0.00 C ATOM 204 C LYS A 15 -1.106 -4.717 1.195 1.00 0.00 C ATOM 205 O LYS A 15 -2.187 -4.775 0.585 1.00 0.00 O ATOM 206 CB LYS A 15 -1.049 -6.570 2.899 1.00 0.00 C ATOM 207 CG LYS A 15 -2.428 -7.174 2.867 1.00 0.00 C ATOM 208 CD LYS A 15 -2.395 -8.675 2.794 1.00 0.00 C ATOM 209 CE LYS A 15 -3.775 -9.276 3.056 1.00 0.00 C ATOM 210 NZ LYS A 15 -4.120 -9.302 4.468 1.00 0.00 N ATOM 0 H LYS A 15 -3.047 -4.763 3.061 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.095 -4.689 3.093 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.435 -7.048 2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.588 -6.790 3.862 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.976 -6.868 3.758 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.973 -6.783 2.008 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.042 -8.985 1.811 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.684 -9.061 3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.526 -8.701 2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.805 -10.291 2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.720 -10.128 4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.251 -9.363 5.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.635 -8.433 4.715 1.00 0.00 H new ATOM 224 N VAL A 16 0.007 -4.338 0.638 1.00 0.00 N ATOM 225 CA VAL A 16 0.079 -3.926 -0.741 1.00 0.00 C ATOM 226 C VAL A 16 1.102 -4.732 -1.519 1.00 0.00 C ATOM 227 O VAL A 16 2.263 -4.833 -1.140 1.00 0.00 O ATOM 228 CB VAL A 16 0.404 -2.412 -0.874 1.00 0.00 C ATOM 229 CG1 VAL A 16 -0.739 -1.569 -0.360 1.00 0.00 C ATOM 230 CG2 VAL A 16 1.683 -2.056 -0.131 1.00 0.00 C ATOM 0 H VAL A 16 0.900 -4.304 1.129 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.908 -4.112 -1.165 1.00 0.00 H new ATOM 0 HB VAL A 16 0.549 -2.201 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.488 -0.513 -0.464 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.639 -1.786 -0.936 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.916 -1.798 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.884 -0.991 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.568 -2.295 0.926 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.515 -2.627 -0.544 1.00 0.00 H new ATOM 240 N LEU A 17 0.672 -5.302 -2.586 1.00 0.00 N ATOM 241 CA LEU A 17 1.536 -6.028 -3.461 1.00 0.00 C ATOM 242 C LEU A 17 2.074 -5.025 -4.457 1.00 0.00 C ATOM 243 O LEU A 17 1.402 -4.695 -5.427 1.00 0.00 O ATOM 244 CB LEU A 17 0.746 -7.144 -4.174 1.00 0.00 C ATOM 245 CG LEU A 17 1.483 -8.004 -5.209 1.00 0.00 C ATOM 246 CD1 LEU A 17 2.412 -8.970 -4.542 1.00 0.00 C ATOM 247 CD2 LEU A 17 0.501 -8.724 -6.115 1.00 0.00 C ATOM 0 H LEU A 17 -0.303 -5.280 -2.885 1.00 0.00 H new ATOM 0 HA LEU A 17 2.350 -6.507 -2.918 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.348 -7.811 -3.409 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.108 -6.683 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 17 2.085 -7.340 -5.830 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.921 -9.567 -5.299 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.149 -8.421 -3.957 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.843 -9.627 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.049 -9.327 -6.839 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.140 -9.371 -5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.112 -7.992 -6.641 1.00 0.00 H new ATOM 259 N GLU A 18 3.225 -4.459 -4.149 1.00 0.00 N ATOM 260 CA GLU A 18 3.838 -3.450 -5.007 1.00 0.00 C ATOM 261 C GLU A 18 4.210 -4.067 -6.341 1.00 0.00 C ATOM 262 O GLU A 18 3.732 -3.664 -7.401 1.00 0.00 O ATOM 263 CB GLU A 18 5.088 -2.864 -4.342 1.00 0.00 C ATOM 264 CG GLU A 18 5.780 -1.798 -5.182 1.00 0.00 C ATOM 265 CD GLU A 18 7.046 -1.283 -4.557 1.00 0.00 C ATOM 266 OE1 GLU A 18 6.986 -0.503 -3.591 1.00 0.00 O ATOM 267 OE2 GLU A 18 8.131 -1.647 -5.030 1.00 0.00 O ATOM 0 H GLU A 18 3.760 -4.678 -3.309 1.00 0.00 H new ATOM 0 HA GLU A 18 3.119 -2.647 -5.166 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.810 -2.433 -3.380 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.793 -3.670 -4.139 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.009 -2.211 -6.165 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.094 -0.965 -5.338 1.00 0.00 H new ATOM 274 N SER A 19 5.045 -5.052 -6.273 1.00 0.00 N ATOM 275 CA SER A 19 5.509 -5.749 -7.417 1.00 0.00 C ATOM 276 C SER A 19 5.727 -7.205 -7.050 1.00 0.00 C ATOM 277 O SER A 19 5.940 -7.523 -5.873 1.00 0.00 O ATOM 278 CB SER A 19 6.794 -5.093 -7.932 1.00 0.00 C ATOM 279 OG SER A 19 6.529 -3.808 -8.452 1.00 0.00 O ATOM 0 H SER A 19 5.430 -5.399 -5.395 1.00 0.00 H new ATOM 0 HA SER A 19 4.772 -5.704 -8.219 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.520 -5.020 -7.122 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.242 -5.718 -8.705 1.00 0.00 H new ATOM 0 HG SER A 19 7.363 -3.407 -8.774 1.00 0.00 H new ATOM 285 N ALA A 20 5.680 -8.080 -8.043 1.00 0.00 N ATOM 286 CA ALA A 20 5.797 -9.532 -7.837 1.00 0.00 C ATOM 287 C ALA A 20 7.187 -9.948 -7.349 1.00 0.00 C ATOM 288 O ALA A 20 7.368 -11.042 -6.865 1.00 0.00 O ATOM 289 CB ALA A 20 5.437 -10.274 -9.116 1.00 0.00 C ATOM 0 H ALA A 20 5.560 -7.812 -9.020 1.00 0.00 H new ATOM 0 HA ALA A 20 5.093 -9.803 -7.050 1.00 0.00 H new ATOM 0 HB1 ALA A 20 5.527 -11.348 -8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.412 -10.035 -9.399 1.00 0.00 H new ATOM 0 HB3 ALA A 20 6.114 -9.971 -9.915 1.00 0.00 H new ATOM 295 N ALA A 21 8.149 -9.053 -7.469 1.00 0.00 N ATOM 296 CA ALA A 21 9.515 -9.334 -7.042 1.00 0.00 C ATOM 297 C ALA A 21 9.716 -8.971 -5.569 1.00 0.00 C ATOM 298 O ALA A 21 10.803 -9.115 -5.034 1.00 0.00 O ATOM 299 CB ALA A 21 10.502 -8.574 -7.916 1.00 0.00 C ATOM 0 H ALA A 21 8.013 -8.121 -7.860 1.00 0.00 H new ATOM 0 HA ALA A 21 9.695 -10.403 -7.152 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.519 -8.790 -7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.381 -8.883 -8.954 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.314 -7.504 -7.831 1.00 0.00 H new ATOM 305 N LEU A 22 8.660 -8.493 -4.934 1.00 0.00 N ATOM 306 CA LEU A 22 8.715 -8.106 -3.531 1.00 0.00 C ATOM 307 C LEU A 22 7.570 -8.747 -2.777 1.00 0.00 C ATOM 308 O LEU A 22 7.767 -9.417 -1.777 1.00 0.00 O ATOM 309 CB LEU A 22 8.651 -6.577 -3.372 1.00 0.00 C ATOM 310 CG LEU A 22 9.810 -5.771 -3.975 1.00 0.00 C ATOM 311 CD1 LEU A 22 9.564 -4.289 -3.788 1.00 0.00 C ATOM 312 CD2 LEU A 22 11.137 -6.163 -3.336 1.00 0.00 C ATOM 0 H LEU A 22 7.747 -8.362 -5.370 1.00 0.00 H new ATOM 0 HA LEU A 22 9.664 -8.452 -3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.722 -6.227 -3.823 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.595 -6.348 -2.308 1.00 0.00 H new ATOM 0 HG LEU A 22 9.863 -5.995 -5.040 1.00 0.00 H new ATOM 0 HD11 LEU A 22 10.392 -3.726 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 22 8.636 -4.009 -4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.487 -4.064 -2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.942 -5.578 -3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.096 -5.969 -2.264 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.323 -7.224 -3.505 1.00 0.00 H new ATOM 324 N GLY A 23 6.373 -8.540 -3.274 1.00 0.00 N ATOM 325 CA GLY A 23 5.221 -9.103 -2.647 1.00 0.00 C ATOM 326 C GLY A 23 4.452 -8.078 -1.848 1.00 0.00 C ATOM 327 O GLY A 23 4.695 -6.870 -1.974 1.00 0.00 O ATOM 0 H GLY A 23 6.181 -7.986 -4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.569 -9.533 -3.407 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.527 -9.918 -1.991 1.00 0.00 H new ATOM 331 N TRP A 24 3.470 -8.562 -1.125 1.00 0.00 N ATOM 332 CA TRP A 24 2.662 -7.775 -0.214 1.00 0.00 C ATOM 333 C TRP A 24 3.510 -7.178 0.917 1.00 0.00 C ATOM 334 O TRP A 24 4.064 -7.905 1.738 1.00 0.00 O ATOM 335 CB TRP A 24 1.564 -8.662 0.398 1.00 0.00 C ATOM 336 CG TRP A 24 0.627 -9.283 -0.605 1.00 0.00 C ATOM 337 CD1 TRP A 24 0.734 -10.514 -1.189 1.00 0.00 C ATOM 338 CD2 TRP A 24 -0.553 -8.693 -1.132 1.00 0.00 C ATOM 339 NE1 TRP A 24 -0.322 -10.719 -2.047 1.00 0.00 N ATOM 340 CE2 TRP A 24 -1.125 -9.611 -2.032 1.00 0.00 C ATOM 341 CE3 TRP A 24 -1.179 -7.479 -0.930 1.00 0.00 C ATOM 342 CZ2 TRP A 24 -2.306 -9.333 -2.727 1.00 0.00 C ATOM 343 CZ3 TRP A 24 -2.332 -7.207 -1.615 1.00 0.00 C ATOM 344 CH2 TRP A 24 -2.884 -8.131 -2.504 1.00 0.00 C ATOM 0 H TRP A 24 3.200 -9.545 -1.153 1.00 0.00 H new ATOM 0 HA TRP A 24 2.218 -6.957 -0.781 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.037 -9.457 0.974 1.00 0.00 H new ATOM 0 HB3 TRP A 24 0.981 -8.064 1.099 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.529 -11.221 -1.004 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.480 -11.559 -2.603 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -0.765 -6.756 -0.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.738 -10.047 -3.412 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.825 -6.258 -1.465 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.795 -7.880 -3.027 1.00 0.00 H new ATOM 355 N VAL A 25 3.614 -5.870 0.942 1.00 0.00 N ATOM 356 CA VAL A 25 4.316 -5.177 2.001 1.00 0.00 C ATOM 357 C VAL A 25 3.251 -4.530 2.876 1.00 0.00 C ATOM 358 O VAL A 25 2.098 -4.397 2.454 1.00 0.00 O ATOM 359 CB VAL A 25 5.285 -4.044 1.467 1.00 0.00 C ATOM 360 CG1 VAL A 25 6.375 -3.719 2.487 1.00 0.00 C ATOM 361 CG2 VAL A 25 5.890 -4.398 0.111 1.00 0.00 C ATOM 0 H VAL A 25 3.216 -5.256 0.231 1.00 0.00 H new ATOM 0 HA VAL A 25 4.937 -5.895 2.537 1.00 0.00 H new ATOM 0 HB VAL A 25 4.679 -3.149 1.325 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.023 -2.938 2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.915 -3.374 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.965 -4.614 2.687 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.547 -3.592 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 25 6.463 -5.321 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.092 -4.534 -0.619 1.00 0.00 H new ATOM 371 N ARG A 26 3.619 -4.138 4.054 1.00 0.00 N ATOM 372 CA ARG A 26 2.714 -3.479 4.974 1.00 0.00 C ATOM 373 C ARG A 26 2.610 -2.036 4.552 1.00 0.00 C ATOM 374 O ARG A 26 3.626 -1.414 4.278 1.00 0.00 O ATOM 375 CB ARG A 26 3.302 -3.540 6.369 1.00 0.00 C ATOM 376 CG ARG A 26 2.460 -2.909 7.463 1.00 0.00 C ATOM 377 CD ARG A 26 3.283 -2.732 8.731 1.00 0.00 C ATOM 378 NE ARG A 26 3.879 -4.000 9.217 1.00 0.00 N ATOM 379 CZ ARG A 26 5.213 -4.211 9.351 1.00 0.00 C ATOM 380 NH1 ARG A 26 6.080 -3.357 8.827 1.00 0.00 N ATOM 381 NH2 ARG A 26 5.662 -5.317 9.960 1.00 0.00 N ATOM 0 H ARG A 26 4.563 -4.262 4.419 1.00 0.00 H new ATOM 0 HA ARG A 26 1.735 -3.959 4.968 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.475 -4.585 6.626 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.275 -3.049 6.356 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.083 -1.942 7.129 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.592 -3.535 7.670 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.079 -2.011 8.543 1.00 0.00 H new ATOM 0 HD3 ARG A 26 2.650 -2.311 9.513 1.00 0.00 H new ATOM 0 HE ARG A 26 3.247 -4.761 9.466 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.746 -2.537 8.321 1.00 0.00 H new ATOM 0 HH12 ARG A 26 7.082 -3.519 8.930 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.001 -6.003 10.324 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.665 -5.473 10.059 1.00 0.00 H new ATOM 395 N ALA A 27 1.426 -1.513 4.490 1.00 0.00 N ATOM 396 CA ALA A 27 1.240 -0.142 4.084 1.00 0.00 C ATOM 397 C ALA A 27 -0.015 0.409 4.647 1.00 0.00 C ATOM 398 O ALA A 27 -0.786 -0.297 5.278 1.00 0.00 O ATOM 399 CB ALA A 27 1.234 -0.008 2.573 1.00 0.00 C ATOM 0 H ALA A 27 0.565 -2.012 4.715 1.00 0.00 H new ATOM 0 HA ALA A 27 2.082 0.430 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.092 1.038 2.301 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.184 -0.361 2.173 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.422 -0.604 2.158 1.00 0.00 H new ATOM 405 N ARG A 28 -0.205 1.670 4.469 1.00 0.00 N ATOM 406 CA ARG A 28 -1.407 2.305 4.876 1.00 0.00 C ATOM 407 C ARG A 28 -1.904 3.116 3.733 1.00 0.00 C ATOM 408 O ARG A 28 -1.121 3.829 3.102 1.00 0.00 O ATOM 409 CB ARG A 28 -1.182 3.201 6.100 1.00 0.00 C ATOM 410 CG ARG A 28 -0.611 2.472 7.310 1.00 0.00 C ATOM 411 CD ARG A 28 -0.639 3.342 8.548 1.00 0.00 C ATOM 412 NE ARG A 28 -2.023 3.654 8.966 1.00 0.00 N ATOM 413 CZ ARG A 28 -2.365 4.365 10.049 1.00 0.00 C ATOM 414 NH1 ARG A 28 -1.416 4.867 10.851 1.00 0.00 N ATOM 415 NH2 ARG A 28 -3.651 4.579 10.328 1.00 0.00 N ATOM 0 H ARG A 28 0.475 2.293 4.034 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.138 1.549 5.161 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.506 4.010 5.825 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.130 3.660 6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -1.183 1.562 7.491 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.415 2.167 7.102 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.119 2.835 9.361 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.100 4.269 8.354 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.780 3.299 8.382 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -0.431 4.708 10.637 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.678 5.408 11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -4.375 4.201 9.717 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -3.911 5.120 11.153 1.00 0.00 H new ATOM 429 N VAL A 29 -3.160 2.959 3.410 1.00 0.00 N ATOM 430 CA VAL A 29 -3.772 3.766 2.376 1.00 0.00 C ATOM 431 C VAL A 29 -3.902 5.141 2.930 1.00 0.00 C ATOM 432 O VAL A 29 -4.573 5.350 3.925 1.00 0.00 O ATOM 433 CB VAL A 29 -5.166 3.234 1.959 1.00 0.00 C ATOM 434 CG1 VAL A 29 -5.773 4.085 0.844 1.00 0.00 C ATOM 435 CG2 VAL A 29 -5.088 1.782 1.527 1.00 0.00 C ATOM 0 H VAL A 29 -3.784 2.280 3.846 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.153 3.741 1.479 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.815 3.301 2.832 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -6.751 3.686 0.573 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.883 5.113 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.119 4.063 -0.027 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.080 1.434 1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.411 1.691 0.677 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.716 1.176 2.353 1.00 0.00 H new ATOM 445 N ILE A 30 -3.213 6.049 2.339 1.00 0.00 N ATOM 446 CA ILE A 30 -3.213 7.391 2.807 1.00 0.00 C ATOM 447 C ILE A 30 -4.376 8.117 2.193 1.00 0.00 C ATOM 448 O ILE A 30 -5.077 8.877 2.851 1.00 0.00 O ATOM 449 CB ILE A 30 -1.877 8.123 2.475 1.00 0.00 C ATOM 450 CG1 ILE A 30 -0.656 7.341 3.017 1.00 0.00 C ATOM 451 CG2 ILE A 30 -1.879 9.559 3.012 1.00 0.00 C ATOM 452 CD1 ILE A 30 -0.648 7.130 4.525 1.00 0.00 C ATOM 0 H ILE A 30 -2.632 5.885 1.517 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.307 7.381 3.893 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.794 8.168 1.389 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.620 6.367 2.528 1.00 0.00 H new ATOM 0 HG13 ILE A 30 0.252 7.873 2.734 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.934 10.042 2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.700 10.115 2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.005 9.542 4.095 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.245 6.573 4.810 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.648 8.097 5.028 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.535 6.568 4.818 1.00 0.00 H new ATOM 464 N ARG A 31 -4.585 7.883 0.923 1.00 0.00 N ATOM 465 CA ARG A 31 -5.610 8.499 0.231 1.00 0.00 C ATOM 466 C ARG A 31 -6.063 7.658 -0.928 1.00 0.00 C ATOM 467 O ARG A 31 -5.271 7.028 -1.629 1.00 0.00 O ATOM 468 CB ARG A 31 -5.024 9.744 -0.260 1.00 0.00 C ATOM 469 CG ARG A 31 -5.657 10.392 -1.421 1.00 0.00 C ATOM 470 CD ARG A 31 -7.040 10.978 -1.152 1.00 0.00 C ATOM 471 NE ARG A 31 -7.049 12.046 -0.133 1.00 0.00 N ATOM 472 CZ ARG A 31 -8.124 12.814 0.150 1.00 0.00 C ATOM 473 NH1 ARG A 31 -9.269 12.641 -0.532 1.00 0.00 N ATOM 474 NH2 ARG A 31 -8.053 13.744 1.114 1.00 0.00 N ATOM 0 H ARG A 31 -4.022 7.244 0.361 1.00 0.00 H new ATOM 0 HA ARG A 31 -6.484 8.659 0.862 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.021 10.460 0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.983 9.546 -0.514 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.003 11.189 -1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.737 9.663 -2.227 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.443 11.375 -2.084 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.707 10.178 -0.831 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.190 12.215 0.390 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.326 11.931 -1.262 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.082 13.220 -0.320 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.186 13.873 1.635 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.866 14.322 1.326 1.00 0.00 H new ATOM 488 N VAL A 32 -7.307 7.700 -1.111 1.00 0.00 N ATOM 489 CA VAL A 32 -7.963 7.127 -2.250 1.00 0.00 C ATOM 490 C VAL A 32 -8.307 8.268 -3.231 1.00 0.00 C ATOM 491 O VAL A 32 -9.003 9.230 -2.880 1.00 0.00 O ATOM 492 CB VAL A 32 -9.231 6.285 -1.857 1.00 0.00 C ATOM 493 CG1 VAL A 32 -10.218 7.086 -1.010 1.00 0.00 C ATOM 494 CG2 VAL A 32 -9.920 5.721 -3.098 1.00 0.00 C ATOM 0 H VAL A 32 -7.948 8.149 -0.457 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.290 6.417 -2.731 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.881 5.453 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.077 6.461 -0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.730 7.410 -0.091 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.553 7.959 -1.570 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.794 5.143 -2.798 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.232 6.541 -3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.226 5.076 -3.638 1.00 0.00 H new ATOM 504 N LYS A 33 -7.703 8.222 -4.383 1.00 0.00 N ATOM 505 CA LYS A 33 -7.922 9.195 -5.434 1.00 0.00 C ATOM 506 C LYS A 33 -8.713 8.587 -6.490 1.00 0.00 C ATOM 507 O LYS A 33 -8.493 7.439 -6.863 1.00 0.00 O ATOM 508 CB LYS A 33 -6.612 9.601 -5.992 1.00 0.00 C ATOM 509 CG LYS A 33 -5.987 10.855 -5.393 1.00 0.00 C ATOM 510 CD LYS A 33 -4.506 10.659 -5.073 1.00 0.00 C ATOM 511 CE LYS A 33 -3.805 11.997 -4.822 1.00 0.00 C ATOM 512 NZ LYS A 33 -2.351 11.845 -4.509 1.00 0.00 N ATOM 0 H LYS A 33 -7.030 7.497 -4.631 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.445 10.063 -5.032 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.913 8.774 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.729 9.755 -7.065 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.101 11.685 -6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.522 11.127 -4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.404 10.023 -4.194 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.019 10.141 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.917 12.630 -5.702 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.297 12.509 -3.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.828 12.663 -4.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.221 11.793 -3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.991 10.974 -4.948 1.00 0.00 H new ATOM 526 N SER A 34 -9.544 9.359 -7.030 1.00 0.00 N ATOM 527 CA SER A 34 -10.461 8.876 -7.999 1.00 0.00 C ATOM 528 C SER A 34 -9.924 9.081 -9.426 1.00 0.00 C ATOM 529 O SER A 34 -10.674 9.159 -10.388 1.00 0.00 O ATOM 530 CB SER A 34 -11.818 9.528 -7.794 1.00 0.00 C ATOM 531 OG SER A 34 -12.209 9.431 -6.428 1.00 0.00 O ATOM 0 H SER A 34 -9.624 10.355 -6.824 1.00 0.00 H new ATOM 0 HA SER A 34 -10.583 7.801 -7.868 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.776 10.575 -8.094 1.00 0.00 H new ATOM 0 HB3 SER A 34 -12.561 9.045 -8.428 1.00 0.00 H new ATOM 0 HG SER A 34 -13.084 9.856 -6.307 1.00 0.00 H new ATOM 537 N GLY A 35 -8.625 9.132 -9.530 1.00 0.00 N ATOM 538 CA GLY A 35 -7.974 9.230 -10.803 1.00 0.00 C ATOM 539 C GLY A 35 -7.074 8.046 -10.977 1.00 0.00 C ATOM 540 O GLY A 35 -6.037 8.133 -11.611 1.00 0.00 O ATOM 0 H GLY A 35 -7.989 9.107 -8.733 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -8.713 9.263 -11.603 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -7.398 10.154 -10.862 1.00 0.00 H new ATOM 544 N GLY A 36 -7.480 6.936 -10.360 1.00 0.00 N ATOM 545 CA GLY A 36 -6.698 5.714 -10.378 1.00 0.00 C ATOM 546 C GLY A 36 -5.417 5.855 -9.588 1.00 0.00 C ATOM 547 O GLY A 36 -4.449 5.141 -9.819 1.00 0.00 O ATOM 0 H GLY A 36 -8.354 6.865 -9.839 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.291 4.897 -9.966 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.462 5.449 -11.409 1.00 0.00 H new ATOM 551 N ARG A 37 -5.422 6.750 -8.620 1.00 0.00 N ATOM 552 CA ARG A 37 -4.228 7.028 -7.897 1.00 0.00 C ATOM 553 C ARG A 37 -4.370 6.698 -6.471 1.00 0.00 C ATOM 554 O ARG A 37 -4.691 7.518 -5.624 1.00 0.00 O ATOM 555 CB ARG A 37 -3.760 8.420 -8.150 1.00 0.00 C ATOM 556 CG ARG A 37 -2.238 8.662 -8.076 1.00 0.00 C ATOM 557 CD ARG A 37 -1.666 8.236 -6.755 1.00 0.00 C ATOM 558 NE ARG A 37 -0.247 8.627 -6.570 1.00 0.00 N ATOM 559 CZ ARG A 37 0.508 8.289 -5.489 1.00 0.00 C ATOM 560 NH1 ARG A 37 0.122 7.314 -4.689 1.00 0.00 N ATOM 561 NH2 ARG A 37 1.693 8.856 -5.285 1.00 0.00 N ATOM 0 H ARG A 37 -6.240 7.286 -8.328 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.438 6.374 -8.268 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.105 8.721 -9.139 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.245 9.079 -7.429 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.744 8.114 -8.879 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.031 9.720 -8.237 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.262 8.671 -5.953 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.751 7.153 -6.664 1.00 0.00 H new ATOM 0 HE ARG A 37 0.192 9.186 -7.301 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.745 6.811 -4.880 1.00 0.00 H new ATOM 0 HH12 ARG A 37 0.690 7.063 -3.880 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.045 9.552 -5.942 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.250 8.595 -4.471 1.00 0.00 H new ATOM 575 N VAL A 38 -4.125 5.514 -6.224 1.00 0.00 N ATOM 576 CA VAL A 38 -4.187 5.006 -4.882 1.00 0.00 C ATOM 577 C VAL A 38 -2.898 5.382 -4.202 1.00 0.00 C ATOM 578 O VAL A 38 -1.817 5.193 -4.743 1.00 0.00 O ATOM 579 CB VAL A 38 -4.369 3.482 -4.815 1.00 0.00 C ATOM 580 CG1 VAL A 38 -4.627 3.019 -3.381 1.00 0.00 C ATOM 581 CG2 VAL A 38 -5.461 2.999 -5.761 1.00 0.00 C ATOM 0 H VAL A 38 -3.867 4.823 -6.929 1.00 0.00 H new ATOM 0 HA VAL A 38 -5.059 5.440 -4.392 1.00 0.00 H new ATOM 0 HB VAL A 38 -3.435 3.029 -5.148 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -4.752 1.936 -3.365 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.781 3.296 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.532 3.494 -3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.557 1.916 -5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.408 3.468 -5.493 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.200 3.267 -6.785 1.00 0.00 H new ATOM 591 N VAL A 39 -3.020 5.976 -3.090 1.00 0.00 N ATOM 592 CA VAL A 39 -1.882 6.433 -2.331 1.00 0.00 C ATOM 593 C VAL A 39 -1.711 5.555 -1.129 1.00 0.00 C ATOM 594 O VAL A 39 -2.589 5.516 -0.258 1.00 0.00 O ATOM 595 CB VAL A 39 -2.089 7.893 -1.847 1.00 0.00 C ATOM 596 CG1 VAL A 39 -0.898 8.415 -1.059 1.00 0.00 C ATOM 597 CG2 VAL A 39 -2.396 8.807 -2.999 1.00 0.00 C ATOM 0 H VAL A 39 -3.919 6.174 -2.652 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.001 6.392 -2.972 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.946 7.880 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.092 9.440 -0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.740 7.788 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.008 8.391 -1.687 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.536 9.823 -2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.568 8.789 -3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.307 8.473 -3.496 1.00 0.00 H new ATOM 607 N VAL A 40 -0.628 4.861 -1.073 1.00 0.00 N ATOM 608 CA VAL A 40 -0.336 4.016 0.047 1.00 0.00 C ATOM 609 C VAL A 40 1.099 4.232 0.430 1.00 0.00 C ATOM 610 O VAL A 40 1.945 4.454 -0.429 1.00 0.00 O ATOM 611 CB VAL A 40 -0.553 2.485 -0.245 1.00 0.00 C ATOM 612 CG1 VAL A 40 -2.004 2.165 -0.534 1.00 0.00 C ATOM 613 CG2 VAL A 40 0.322 2.009 -1.401 1.00 0.00 C ATOM 0 H VAL A 40 0.086 4.859 -1.801 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.026 4.285 0.847 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.260 1.952 0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.109 1.098 -0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.615 2.438 0.326 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.334 2.728 -1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.147 0.947 -1.576 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.073 2.571 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.371 2.168 -1.153 1.00 0.00 H new ATOM 623 N GLN A 41 1.374 4.197 1.681 1.00 0.00 N ATOM 624 CA GLN A 41 2.719 4.337 2.121 1.00 0.00 C ATOM 625 C GLN A 41 3.041 3.250 3.091 1.00 0.00 C ATOM 626 O GLN A 41 2.282 2.993 4.035 1.00 0.00 O ATOM 627 CB GLN A 41 2.963 5.718 2.716 1.00 0.00 C ATOM 628 CG GLN A 41 4.399 5.990 3.172 1.00 0.00 C ATOM 629 CD GLN A 41 4.560 7.366 3.771 1.00 0.00 C ATOM 630 OE1 GLN A 41 4.896 8.331 2.958 1.00 0.00 O flip ATOM 631 NE2 GLN A 41 4.393 7.555 4.960 1.00 0.00 N flip ATOM 0 H GLN A 41 0.686 4.072 2.424 1.00 0.00 H new ATOM 0 HA GLN A 41 3.387 4.244 1.264 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.686 6.468 1.976 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.297 5.851 3.569 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.693 5.240 3.906 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.074 5.885 2.322 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.131 6.779 5.568 1.00 0.00 H new ATOM 0 HE22 GLN A 41 4.515 8.490 5.350 1.00 0.00 H new ATOM 640 N SER A 42 4.101 2.561 2.808 1.00 0.00 N ATOM 641 CA SER A 42 4.600 1.538 3.669 1.00 0.00 C ATOM 642 C SER A 42 5.327 2.194 4.832 1.00 0.00 C ATOM 643 O SER A 42 5.668 3.378 4.774 1.00 0.00 O ATOM 644 CB SER A 42 5.519 0.580 2.879 1.00 0.00 C ATOM 645 OG SER A 42 6.033 -0.461 3.678 1.00 0.00 O ATOM 0 H SER A 42 4.651 2.696 1.960 1.00 0.00 H new ATOM 0 HA SER A 42 3.780 0.939 4.065 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.961 0.152 2.046 1.00 0.00 H new ATOM 0 HB3 SER A 42 6.346 1.147 2.451 1.00 0.00 H new ATOM 0 HG SER A 42 5.335 -1.132 3.830 1.00 0.00 H new ATOM 651 N ASP A 43 5.626 1.414 5.835 1.00 0.00 N ATOM 652 CA ASP A 43 6.267 1.903 7.076 1.00 0.00 C ATOM 653 C ASP A 43 7.737 2.158 6.846 1.00 0.00 C ATOM 654 O ASP A 43 8.436 2.734 7.667 1.00 0.00 O ATOM 655 CB ASP A 43 6.034 0.942 8.251 1.00 0.00 C ATOM 656 CG ASP A 43 6.434 -0.482 7.952 1.00 0.00 C ATOM 657 OD1 ASP A 43 7.494 -0.930 8.382 1.00 0.00 O ATOM 658 OD2 ASP A 43 5.633 -1.203 7.298 1.00 0.00 O ATOM 0 H ASP A 43 5.440 0.411 5.837 1.00 0.00 H new ATOM 0 HA ASP A 43 5.799 2.849 7.347 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.596 1.295 9.116 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.979 0.965 8.525 1.00 0.00 H new ATOM 663 N GLN A 44 8.161 1.775 5.672 1.00 0.00 N ATOM 664 CA GLN A 44 9.484 2.024 5.165 1.00 0.00 C ATOM 665 C GLN A 44 9.525 3.431 4.529 1.00 0.00 C ATOM 666 O GLN A 44 10.493 3.799 3.877 1.00 0.00 O ATOM 667 CB GLN A 44 9.793 0.965 4.103 1.00 0.00 C ATOM 668 CG GLN A 44 9.879 -0.462 4.647 1.00 0.00 C ATOM 669 CD GLN A 44 9.898 -1.526 3.551 1.00 0.00 C ATOM 670 OE1 GLN A 44 9.138 -1.320 2.497 1.00 0.00 O flip ATOM 671 NE2 GLN A 44 10.527 -2.558 3.687 1.00 0.00 N flip ATOM 0 H GLN A 44 7.572 1.261 5.017 1.00 0.00 H new ATOM 0 HA GLN A 44 10.221 1.975 5.967 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.022 1.003 3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.738 1.215 3.620 1.00 0.00 H new ATOM 0 HG2 GLN A 44 10.780 -0.559 5.253 1.00 0.00 H new ATOM 0 HG3 GLN A 44 9.030 -0.644 5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 44 11.110 -2.695 4.513 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.472 -3.286 2.975 1.00 0.00 H new ATOM 680 N GLY A 45 8.417 4.184 4.690 1.00 0.00 N ATOM 681 CA GLY A 45 8.281 5.536 4.137 1.00 0.00 C ATOM 682 C GLY A 45 8.131 5.506 2.638 1.00 0.00 C ATOM 683 O GLY A 45 8.259 6.513 1.949 1.00 0.00 O ATOM 0 H GLY A 45 7.597 3.867 5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.415 6.026 4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.155 6.130 4.405 1.00 0.00 H new ATOM 687 N ARG A 46 7.821 4.347 2.153 1.00 0.00 N ATOM 688 CA ARG A 46 7.724 4.086 0.756 1.00 0.00 C ATOM 689 C ARG A 46 6.289 4.277 0.307 1.00 0.00 C ATOM 690 O ARG A 46 5.441 3.419 0.562 1.00 0.00 O ATOM 691 CB ARG A 46 8.221 2.652 0.515 1.00 0.00 C ATOM 692 CG ARG A 46 8.313 2.177 -0.926 1.00 0.00 C ATOM 693 CD ARG A 46 8.953 0.796 -0.942 1.00 0.00 C ATOM 694 NE ARG A 46 9.134 0.238 -2.280 1.00 0.00 N ATOM 695 CZ ARG A 46 10.305 -0.111 -2.831 1.00 0.00 C ATOM 696 NH1 ARG A 46 11.466 0.193 -2.219 1.00 0.00 N ATOM 697 NH2 ARG A 46 10.319 -0.753 -3.985 1.00 0.00 N ATOM 0 H ARG A 46 7.623 3.534 2.736 1.00 0.00 H new ATOM 0 HA ARG A 46 8.337 4.774 0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.210 2.558 0.964 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.560 1.972 1.053 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.321 2.139 -1.376 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.905 2.875 -1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.923 0.851 -0.449 1.00 0.00 H new ATOM 0 HD3 ARG A 46 8.336 0.115 -0.356 1.00 0.00 H new ATOM 0 HE ARG A 46 8.295 0.102 -2.845 1.00 0.00 H new ATOM 0 HH11 ARG A 46 11.458 0.692 -1.330 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.353 -0.076 -2.645 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.442 -0.981 -4.453 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.207 -1.021 -4.409 1.00 0.00 H new ATOM 711 N GLU A 47 6.012 5.436 -0.248 1.00 0.00 N ATOM 712 CA GLU A 47 4.707 5.745 -0.785 1.00 0.00 C ATOM 713 C GLU A 47 4.772 5.449 -2.252 1.00 0.00 C ATOM 714 O GLU A 47 5.849 5.564 -2.859 1.00 0.00 O ATOM 715 CB GLU A 47 4.362 7.228 -0.555 1.00 0.00 C ATOM 716 CG GLU A 47 2.869 7.598 -0.721 1.00 0.00 C ATOM 717 CD GLU A 47 2.333 7.651 -2.139 1.00 0.00 C ATOM 718 OE1 GLU A 47 2.743 8.525 -2.918 1.00 0.00 O ATOM 719 OE2 GLU A 47 1.443 6.851 -2.478 1.00 0.00 O ATOM 0 H GLU A 47 6.689 6.193 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 47 3.933 5.154 -0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.677 7.504 0.451 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.947 7.831 -1.249 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.275 6.876 -0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 47 2.707 8.572 -0.259 1.00 0.00 H new ATOM 726 N PHE A 48 3.668 5.093 -2.807 1.00 0.00 N ATOM 727 CA PHE A 48 3.580 4.705 -4.205 1.00 0.00 C ATOM 728 C PHE A 48 2.145 4.540 -4.638 1.00 0.00 C ATOM 729 O PHE A 48 1.258 4.256 -3.822 1.00 0.00 O ATOM 730 CB PHE A 48 4.413 3.430 -4.535 1.00 0.00 C ATOM 731 CG PHE A 48 4.124 2.216 -3.684 1.00 0.00 C ATOM 732 CD1 PHE A 48 3.206 1.261 -4.086 1.00 0.00 C ATOM 733 CD2 PHE A 48 4.795 2.030 -2.488 1.00 0.00 C ATOM 734 CE1 PHE A 48 2.969 0.146 -3.307 1.00 0.00 C ATOM 735 CE2 PHE A 48 4.559 0.926 -1.706 1.00 0.00 C ATOM 736 CZ PHE A 48 3.651 -0.017 -2.115 1.00 0.00 C ATOM 0 H PHE A 48 2.777 5.056 -2.311 1.00 0.00 H new ATOM 0 HA PHE A 48 4.021 5.521 -4.777 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.242 3.167 -5.579 1.00 0.00 H new ATOM 0 HB3 PHE A 48 5.471 3.675 -4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.671 1.389 -5.016 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.516 2.766 -2.164 1.00 0.00 H new ATOM 0 HE1 PHE A 48 2.253 -0.597 -3.628 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.087 0.801 -0.772 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.468 -0.889 -1.505 1.00 0.00 H new ATOM 746 N THR A 49 1.910 4.735 -5.912 1.00 0.00 N ATOM 747 CA THR A 49 0.603 4.593 -6.446 1.00 0.00 C ATOM 748 C THR A 49 0.292 3.117 -6.637 1.00 0.00 C ATOM 749 O THR A 49 0.926 2.413 -7.432 1.00 0.00 O ATOM 750 CB THR A 49 0.388 5.440 -7.752 1.00 0.00 C ATOM 751 OG1 THR A 49 -0.969 5.352 -8.216 1.00 0.00 O ATOM 752 CG2 THR A 49 1.355 5.060 -8.876 1.00 0.00 C ATOM 0 H THR A 49 2.623 4.995 -6.594 1.00 0.00 H new ATOM 0 HA THR A 49 -0.111 5.002 -5.731 1.00 0.00 H new ATOM 0 HB THR A 49 0.602 6.473 -7.477 1.00 0.00 H new ATOM 0 HG1 THR A 49 -1.072 5.890 -9.028 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.157 5.679 -9.751 1.00 0.00 H new ATOM 0 HG22 THR A 49 2.381 5.219 -8.543 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.217 4.010 -9.136 1.00 0.00 H new ATOM 760 N ALA A 50 -0.628 2.646 -5.864 1.00 0.00 N ATOM 761 CA ALA A 50 -0.987 1.256 -5.905 1.00 0.00 C ATOM 762 C ALA A 50 -2.208 1.043 -6.775 1.00 0.00 C ATOM 763 O ALA A 50 -2.779 1.990 -7.310 1.00 0.00 O ATOM 764 CB ALA A 50 -1.227 0.731 -4.500 1.00 0.00 C ATOM 0 H ALA A 50 -1.152 3.203 -5.189 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.160 0.698 -6.344 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.498 -0.324 -4.547 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -0.319 0.846 -3.909 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.037 1.293 -4.035 1.00 0.00 H new ATOM 770 N ARG A 51 -2.598 -0.198 -6.926 1.00 0.00 N ATOM 771 CA ARG A 51 -3.782 -0.549 -7.668 1.00 0.00 C ATOM 772 C ARG A 51 -4.660 -1.340 -6.746 1.00 0.00 C ATOM 773 O ARG A 51 -4.147 -2.085 -5.942 1.00 0.00 O ATOM 774 CB ARG A 51 -3.429 -1.405 -8.888 1.00 0.00 C ATOM 775 CG ARG A 51 -2.614 -0.696 -9.962 1.00 0.00 C ATOM 776 CD ARG A 51 -2.220 -1.664 -11.072 1.00 0.00 C ATOM 777 NE ARG A 51 -3.396 -2.319 -11.698 1.00 0.00 N ATOM 778 CZ ARG A 51 -3.496 -3.644 -11.969 1.00 0.00 C ATOM 779 NH1 ARG A 51 -2.525 -4.485 -11.597 1.00 0.00 N ATOM 780 NH2 ARG A 51 -4.589 -4.121 -12.576 1.00 0.00 N ATOM 0 H ARG A 51 -2.100 -0.998 -6.535 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.281 0.352 -8.025 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.873 -2.279 -8.550 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.353 -1.769 -9.337 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.194 0.127 -10.380 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.718 -0.262 -9.518 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.658 -1.127 -11.836 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.556 -2.427 -10.666 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.190 -1.727 -11.943 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.704 -4.131 -11.107 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.606 -5.481 -11.804 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.346 -3.488 -12.834 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.665 -5.117 -12.780 1.00 0.00 H new ATOM 794 N GLY A 52 -5.971 -1.213 -6.877 1.00 0.00 N ATOM 795 CA GLY A 52 -6.897 -1.931 -5.980 1.00 0.00 C ATOM 796 C GLY A 52 -6.829 -3.434 -6.105 1.00 0.00 C ATOM 797 O GLY A 52 -7.301 -4.154 -5.253 1.00 0.00 O ATOM 0 H GLY A 52 -6.425 -0.631 -7.581 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.678 -1.652 -4.949 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.916 -1.605 -6.189 1.00 0.00 H new ATOM 801 N ASN A 53 -6.212 -3.902 -7.157 1.00 0.00 N ATOM 802 CA ASN A 53 -6.050 -5.333 -7.369 1.00 0.00 C ATOM 803 C ASN A 53 -4.794 -5.804 -6.664 1.00 0.00 C ATOM 804 O ASN A 53 -4.501 -6.983 -6.613 1.00 0.00 O ATOM 805 CB ASN A 53 -5.934 -5.653 -8.866 1.00 0.00 C ATOM 806 CG ASN A 53 -7.141 -5.234 -9.690 1.00 0.00 C ATOM 807 OD1 ASN A 53 -7.001 -4.868 -10.855 1.00 0.00 O ATOM 808 ND2 ASN A 53 -8.319 -5.279 -9.109 1.00 0.00 N ATOM 0 H ASN A 53 -5.808 -3.318 -7.889 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.925 -5.845 -6.967 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -5.048 -5.159 -9.264 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.781 -6.726 -8.986 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -9.154 -5.005 -9.627 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.398 -5.588 -8.140 1.00 0.00 H new ATOM 815 N GLN A 54 -4.058 -4.854 -6.135 1.00 0.00 N ATOM 816 CA GLN A 54 -2.805 -5.098 -5.504 1.00 0.00 C ATOM 817 C GLN A 54 -2.845 -4.624 -4.056 1.00 0.00 C ATOM 818 O GLN A 54 -1.813 -4.508 -3.410 1.00 0.00 O ATOM 819 CB GLN A 54 -1.719 -4.354 -6.289 1.00 0.00 C ATOM 820 CG GLN A 54 -1.542 -4.859 -7.721 1.00 0.00 C ATOM 821 CD GLN A 54 -0.459 -4.139 -8.513 1.00 0.00 C ATOM 822 OE1 GLN A 54 -0.580 -3.985 -9.733 1.00 0.00 O ATOM 823 NE2 GLN A 54 0.610 -3.759 -7.871 1.00 0.00 N ATOM 0 H GLN A 54 -4.330 -3.871 -6.138 1.00 0.00 H new ATOM 0 HA GLN A 54 -2.587 -6.166 -5.498 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.965 -3.292 -6.315 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.771 -4.449 -5.760 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -1.307 -5.923 -7.692 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -2.490 -4.757 -8.249 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.677 -3.901 -6.863 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.379 -3.319 -8.376 1.00 0.00 H new ATOM 832 N VAL A 55 -4.043 -4.358 -3.541 1.00 0.00 N ATOM 833 CA VAL A 55 -4.177 -3.906 -2.150 1.00 0.00 C ATOM 834 C VAL A 55 -5.244 -4.666 -1.504 1.00 0.00 C ATOM 835 O VAL A 55 -6.307 -4.900 -2.088 1.00 0.00 O ATOM 836 CB VAL A 55 -4.529 -2.398 -1.966 1.00 0.00 C ATOM 837 CG1 VAL A 55 -4.376 -1.952 -0.514 1.00 0.00 C ATOM 838 CG2 VAL A 55 -3.784 -1.481 -2.909 1.00 0.00 C ATOM 0 H VAL A 55 -4.922 -4.444 -4.051 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.192 -4.064 -1.710 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.582 -2.310 -2.235 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.631 -0.896 -0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.043 -2.538 0.119 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.345 -2.104 -0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -4.080 -0.449 -2.722 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.711 -1.586 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -4.023 -1.746 -3.939 1.00 0.00 H new ATOM 848 N ARG A 56 -4.962 -5.060 -0.316 1.00 0.00 N ATOM 849 CA ARG A 56 -5.847 -5.755 0.474 1.00 0.00 C ATOM 850 C ARG A 56 -5.740 -5.270 1.856 1.00 0.00 C ATOM 851 O ARG A 56 -4.690 -4.775 2.260 1.00 0.00 O ATOM 852 CB ARG A 56 -5.505 -7.205 0.452 1.00 0.00 C ATOM 853 CG ARG A 56 -5.691 -7.856 -0.881 1.00 0.00 C ATOM 854 CD ARG A 56 -7.129 -7.828 -1.358 1.00 0.00 C ATOM 855 NE ARG A 56 -8.110 -7.816 -0.246 1.00 0.00 N ATOM 856 CZ ARG A 56 -9.076 -6.873 -0.089 1.00 0.00 C ATOM 857 NH1 ARG A 56 -9.204 -5.871 -0.968 1.00 0.00 N ATOM 858 NH2 ARG A 56 -9.843 -6.903 0.973 1.00 0.00 N ATOM 0 H ARG A 56 -4.061 -4.887 0.131 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.859 -5.608 0.098 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.467 -7.327 0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.121 -7.724 1.187 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.061 -7.354 -1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.353 -8.891 -0.824 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.282 -6.946 -1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.314 -8.698 -1.988 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.056 -8.564 0.446 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.572 -5.809 -1.767 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.933 -5.169 -0.839 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.713 -7.631 1.676 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -10.570 -6.198 1.097 1.00 0.00 H new ATOM 872 N LEU A 57 -6.819 -5.362 2.542 1.00 0.00 N ATOM 873 CA LEU A 57 -6.902 -5.113 3.980 1.00 0.00 C ATOM 874 C LEU A 57 -5.944 -6.043 4.773 1.00 0.00 C ATOM 875 O LEU A 57 -5.009 -6.639 4.256 1.00 0.00 O ATOM 876 CB LEU A 57 -8.351 -5.374 4.455 1.00 0.00 C ATOM 877 CG LEU A 57 -9.434 -4.404 3.981 1.00 0.00 C ATOM 878 CD1 LEU A 57 -10.807 -4.936 4.352 1.00 0.00 C ATOM 879 CD2 LEU A 57 -9.232 -3.034 4.616 1.00 0.00 C ATOM 0 H LEU A 57 -7.714 -5.620 2.127 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.612 -4.078 4.163 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.634 -6.377 4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.353 -5.374 5.545 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.363 -4.309 2.897 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.572 -4.239 4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.962 -5.905 3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.874 -5.047 5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -10.010 -2.354 4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -9.286 -3.124 5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.255 -2.642 4.333 1.00 0.00 H new ATOM 891 N ILE A 58 -6.161 -6.132 6.006 1.00 0.00 N ATOM 892 CA ILE A 58 -5.431 -7.022 6.832 1.00 0.00 C ATOM 893 C ILE A 58 -6.247 -8.230 7.242 1.00 0.00 C ATOM 894 O ILE A 58 -6.629 -8.390 8.395 1.00 0.00 O ATOM 895 CB ILE A 58 -4.754 -6.373 8.039 1.00 0.00 C ATOM 896 CG1 ILE A 58 -5.718 -5.449 8.823 1.00 0.00 C ATOM 897 CG2 ILE A 58 -3.467 -5.657 7.622 1.00 0.00 C ATOM 898 CD1 ILE A 58 -5.110 -4.814 10.060 1.00 0.00 C ATOM 0 H ILE A 58 -6.864 -5.583 6.500 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.615 -7.363 6.195 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.475 -7.168 8.730 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.066 -4.659 8.158 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.594 -6.026 9.119 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.003 -5.203 8.498 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -2.778 -6.376 7.178 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.702 -4.882 6.893 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -5.853 -4.183 10.548 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.788 -5.595 10.749 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.251 -4.207 9.773 1.00 0.00 H new ATOM 910 N GLU A 59 -6.593 -8.988 6.260 1.00 0.00 N ATOM 911 CA GLU A 59 -7.229 -10.260 6.446 1.00 0.00 C ATOM 912 C GLU A 59 -6.153 -11.338 6.304 1.00 0.00 C ATOM 913 O GLU A 59 -5.882 -12.036 7.270 1.00 0.00 O ATOM 914 CB GLU A 59 -8.443 -10.500 5.469 1.00 0.00 C ATOM 915 CG GLU A 59 -8.147 -10.576 3.946 1.00 0.00 C ATOM 916 CD GLU A 59 -7.799 -9.254 3.286 1.00 0.00 C ATOM 917 OE1 GLU A 59 -6.704 -8.728 3.529 1.00 0.00 O ATOM 918 OE2 GLU A 59 -8.608 -8.752 2.470 1.00 0.00 O ATOM 919 OXT GLU A 59 -5.467 -11.347 5.240 1.00 0.00 O ATOM 0 H GLU A 59 -6.442 -8.742 5.282 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.674 -10.295 7.440 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.929 -11.431 5.762 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.165 -9.699 5.630 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.322 -11.271 3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.019 -10.996 3.444 1.00 0.00 H new TER 926 GLU A 59