USER MOD reduce.3.24.130724 H: found=0, std=0, add=754, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 753 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 43 ASN : amide:sc= -0.717 K(o=-0.86,f=-4.1) USER MOD Set 1.2: A 68 TYR OH : rot 33:sc= -0.146 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= -0.103 (180deg=-0.797) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.615 X(o=-0.62,f=-0.81) USER MOD Single : A 28 LYS NZ :NH3+ -128:sc= -1.53 (180deg=-3.83!) USER MOD Single : A 29 HIS : no HE2:sc= -2.01! C(o=-2!,f=-9.5!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.228 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.24 K(o=-1.2,f=-2.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.142 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0034 K(o=-0.0034,f=-1.2) USER MOD Single : A 62 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.79) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -149:sc= -0.0132 (180deg=-1.79!) USER MOD Single : A 88 GLN : amide:sc= -1.08 K(o=-1.1,f=-0.002) USER MOD Single : A 89 LYS NZ :NH3+ -166:sc= 0.622 (180deg=0.123) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.251 -15.913 5.671 1.00 0.00 N ATOM 2 CA MET A 1 4.989 -14.971 4.547 1.00 0.00 C ATOM 3 C MET A 1 5.154 -15.707 3.227 1.00 0.00 C ATOM 4 O MET A 1 5.890 -16.690 3.139 1.00 0.00 O ATOM 5 CB MET A 1 5.976 -13.803 4.617 1.00 0.00 C ATOM 6 CG MET A 1 7.398 -14.341 4.790 1.00 0.00 C ATOM 7 SD MET A 1 8.572 -12.965 4.740 1.00 0.00 S ATOM 8 CE MET A 1 10.085 -13.957 4.760 1.00 0.00 C ATOM 0 H1 MET A 1 5.589 -15.381 6.498 1.00 0.00 H new ATOM 0 H2 MET A 1 4.373 -16.413 5.916 1.00 0.00 H new ATOM 0 H3 MET A 1 5.974 -16.603 5.384 1.00 0.00 H new ATOM 0 HA MET A 1 3.973 -14.584 4.621 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.911 -13.204 3.709 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.721 -13.148 5.450 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.485 -14.873 5.737 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.626 -15.057 4.000 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.953 -13.298 4.734 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.114 -14.559 5.668 1.00 0.00 H new ATOM 0 HE3 MET A 1 10.102 -14.613 3.890 1.00 0.00 H new ATOM 20 N GLU A 2 4.467 -15.221 2.202 1.00 0.00 N ATOM 21 CA GLU A 2 4.546 -15.838 0.888 1.00 0.00 C ATOM 22 C GLU A 2 3.869 -14.953 -0.166 1.00 0.00 C ATOM 23 O GLU A 2 2.791 -15.276 -0.662 1.00 0.00 O ATOM 24 CB GLU A 2 3.893 -17.228 0.942 1.00 0.00 C ATOM 25 CG GLU A 2 2.560 -17.150 1.697 1.00 0.00 C ATOM 26 CD GLU A 2 1.816 -18.478 1.583 1.00 0.00 C ATOM 27 OE1 GLU A 2 1.390 -18.806 0.489 1.00 0.00 O ATOM 28 OE2 GLU A 2 1.685 -19.148 2.595 1.00 0.00 O ATOM 0 H GLU A 2 3.854 -14.408 2.255 1.00 0.00 H new ATOM 0 HA GLU A 2 5.592 -15.948 0.602 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.727 -17.601 -0.069 1.00 0.00 H new ATOM 0 HB3 GLU A 2 4.560 -17.934 1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 2 2.740 -16.914 2.746 1.00 0.00 H new ATOM 0 HG3 GLU A 2 1.948 -16.345 1.289 1.00 0.00 H new ATOM 35 N PRO A 3 4.484 -13.845 -0.521 1.00 0.00 N ATOM 36 CA PRO A 3 3.923 -12.904 -1.541 1.00 0.00 C ATOM 37 C PRO A 3 3.729 -13.580 -2.904 1.00 0.00 C ATOM 38 O PRO A 3 4.396 -14.565 -3.222 1.00 0.00 O ATOM 39 CB PRO A 3 4.964 -11.758 -1.613 1.00 0.00 C ATOM 40 CG PRO A 3 5.755 -11.868 -0.340 1.00 0.00 C ATOM 41 CD PRO A 3 5.774 -13.360 0.008 1.00 0.00 C ATOM 0 HA PRO A 3 2.930 -12.548 -1.267 1.00 0.00 H new ATOM 0 HB2 PRO A 3 5.607 -11.863 -2.487 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.476 -10.786 -1.691 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.766 -11.484 -0.473 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.295 -11.285 0.458 1.00 0.00 H new ATOM 0 HD2 PRO A 3 6.617 -13.871 -0.456 1.00 0.00 H new ATOM 0 HD3 PRO A 3 5.855 -13.522 1.083 1.00 0.00 H new ATOM 49 N THR A 4 2.808 -13.040 -3.695 1.00 0.00 N ATOM 50 CA THR A 4 2.523 -13.590 -5.019 1.00 0.00 C ATOM 51 C THR A 4 3.624 -13.195 -6.001 1.00 0.00 C ATOM 52 O THR A 4 3.881 -13.898 -6.978 1.00 0.00 O ATOM 53 CB THR A 4 1.167 -13.058 -5.517 1.00 0.00 C ATOM 54 OG1 THR A 4 0.797 -13.754 -6.699 1.00 0.00 O ATOM 55 CG2 THR A 4 1.260 -11.551 -5.830 1.00 0.00 C ATOM 0 H THR A 4 2.247 -12.225 -3.445 1.00 0.00 H new ATOM 0 HA THR A 4 2.484 -14.677 -4.952 1.00 0.00 H new ATOM 0 HB THR A 4 0.421 -13.213 -4.737 1.00 0.00 H new ATOM 0 HG1 THR A 4 -0.067 -13.419 -7.019 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.292 -11.192 -6.181 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.543 -11.009 -4.928 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.010 -11.386 -6.603 1.00 0.00 H new ATOM 63 N ALA A 5 4.265 -12.055 -5.738 1.00 0.00 N ATOM 64 CA ALA A 5 5.331 -11.568 -6.610 1.00 0.00 C ATOM 65 C ALA A 5 6.188 -10.515 -5.909 1.00 0.00 C ATOM 66 O ALA A 5 7.381 -10.399 -6.185 1.00 0.00 O ATOM 67 CB ALA A 5 4.728 -10.968 -7.880 1.00 0.00 C ATOM 0 H ALA A 5 4.066 -11.458 -4.936 1.00 0.00 H new ATOM 0 HA ALA A 5 5.968 -12.415 -6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.527 -10.606 -8.527 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.153 -11.731 -8.405 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.073 -10.138 -7.615 1.00 0.00 H new ATOM 73 N PHE A 6 5.577 -9.747 -5.006 1.00 0.00 N ATOM 74 CA PHE A 6 6.303 -8.697 -4.282 1.00 0.00 C ATOM 75 C PHE A 6 7.084 -9.291 -3.112 1.00 0.00 C ATOM 76 O PHE A 6 6.517 -9.631 -2.077 1.00 0.00 O ATOM 77 CB PHE A 6 5.299 -7.658 -3.754 1.00 0.00 C ATOM 78 CG PHE A 6 4.794 -6.798 -4.898 1.00 0.00 C ATOM 79 CD1 PHE A 6 3.898 -7.337 -5.829 1.00 0.00 C ATOM 80 CD2 PHE A 6 5.219 -5.466 -5.033 1.00 0.00 C ATOM 81 CE1 PHE A 6 3.429 -6.551 -6.887 1.00 0.00 C ATOM 82 CE2 PHE A 6 4.747 -4.684 -6.091 1.00 0.00 C ATOM 83 CZ PHE A 6 3.853 -5.226 -7.018 1.00 0.00 C ATOM 0 H PHE A 6 4.591 -9.829 -4.758 1.00 0.00 H new ATOM 0 HA PHE A 6 7.007 -8.222 -4.965 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.462 -8.162 -3.270 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.774 -7.032 -2.999 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.569 -8.361 -5.730 1.00 0.00 H new ATOM 0 HD2 PHE A 6 5.911 -5.046 -4.319 1.00 0.00 H new ATOM 0 HE1 PHE A 6 2.738 -6.969 -7.604 1.00 0.00 H new ATOM 0 HE2 PHE A 6 5.074 -3.660 -6.192 1.00 0.00 H new ATOM 0 HZ PHE A 6 3.490 -4.621 -7.836 1.00 0.00 H new ATOM 93 N SER A 7 8.400 -9.393 -3.285 1.00 0.00 N ATOM 94 CA SER A 7 9.280 -9.931 -2.247 1.00 0.00 C ATOM 95 C SER A 7 9.814 -8.808 -1.361 1.00 0.00 C ATOM 96 O SER A 7 9.393 -7.658 -1.478 1.00 0.00 O ATOM 97 CB SER A 7 10.452 -10.662 -2.900 1.00 0.00 C ATOM 98 OG SER A 7 9.962 -11.789 -3.616 1.00 0.00 O ATOM 0 H SER A 7 8.883 -9.109 -4.137 1.00 0.00 H new ATOM 0 HA SER A 7 8.708 -10.624 -1.630 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.984 -9.991 -3.575 1.00 0.00 H new ATOM 0 HB3 SER A 7 11.165 -10.981 -2.140 1.00 0.00 H new ATOM 0 HG SER A 7 10.711 -12.260 -4.038 1.00 0.00 H new ATOM 104 N GLY A 8 10.739 -9.150 -0.472 1.00 0.00 N ATOM 105 CA GLY A 8 11.323 -8.162 0.427 1.00 0.00 C ATOM 106 C GLY A 8 12.158 -7.146 -0.339 1.00 0.00 C ATOM 107 O GLY A 8 12.103 -5.948 -0.065 1.00 0.00 O ATOM 0 H GLY A 8 11.099 -10.097 -0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 8 10.530 -7.649 0.972 1.00 0.00 H new ATOM 0 HA3 GLY A 8 11.946 -8.664 1.168 1.00 0.00 H new ATOM 111 N SER A 9 12.938 -7.632 -1.298 1.00 0.00 N ATOM 112 CA SER A 9 13.790 -6.758 -2.097 1.00 0.00 C ATOM 113 C SER A 9 12.957 -5.924 -3.064 1.00 0.00 C ATOM 114 O SER A 9 13.400 -4.878 -3.536 1.00 0.00 O ATOM 115 CB SER A 9 14.795 -7.596 -2.885 1.00 0.00 C ATOM 116 OG SER A 9 14.089 -8.497 -3.728 1.00 0.00 O ATOM 0 H SER A 9 12.998 -8.621 -1.541 1.00 0.00 H new ATOM 0 HA SER A 9 14.319 -6.085 -1.422 1.00 0.00 H new ATOM 0 HB2 SER A 9 15.439 -6.949 -3.481 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.442 -8.148 -2.203 1.00 0.00 H new ATOM 0 HG SER A 9 14.728 -9.037 -4.238 1.00 0.00 H new ATOM 122 N ASP A 10 11.744 -6.391 -3.355 1.00 0.00 N ATOM 123 CA ASP A 10 10.860 -5.672 -4.267 1.00 0.00 C ATOM 124 C ASP A 10 10.388 -4.383 -3.602 1.00 0.00 C ATOM 125 O ASP A 10 10.362 -4.293 -2.373 1.00 0.00 O ATOM 126 CB ASP A 10 9.656 -6.547 -4.636 1.00 0.00 C ATOM 127 CG ASP A 10 10.104 -7.737 -5.483 1.00 0.00 C ATOM 128 OD1 ASP A 10 11.241 -7.734 -5.926 1.00 0.00 O ATOM 129 OD2 ASP A 10 9.300 -8.634 -5.681 1.00 0.00 O ATOM 0 H ASP A 10 11.355 -7.255 -2.977 1.00 0.00 H new ATOM 0 HA ASP A 10 11.404 -5.429 -5.180 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.164 -6.902 -3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.923 -5.956 -5.186 1.00 0.00 H new ATOM 134 N VAL A 11 10.032 -3.382 -4.413 1.00 0.00 N ATOM 135 CA VAL A 11 9.580 -2.078 -3.896 1.00 0.00 C ATOM 136 C VAL A 11 8.240 -1.668 -4.544 1.00 0.00 C ATOM 137 O VAL A 11 8.126 -1.683 -5.770 1.00 0.00 O ATOM 138 CB VAL A 11 10.644 -1.014 -4.213 1.00 0.00 C ATOM 139 CG1 VAL A 11 11.922 -1.323 -3.428 1.00 0.00 C ATOM 140 CG2 VAL A 11 10.963 -1.003 -5.724 1.00 0.00 C ATOM 0 H VAL A 11 10.047 -3.446 -5.431 1.00 0.00 H new ATOM 0 HA VAL A 11 9.436 -2.158 -2.819 1.00 0.00 H new ATOM 0 HB VAL A 11 10.259 -0.036 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 11 12.677 -0.570 -3.652 1.00 0.00 H new ATOM 0 HG12 VAL A 11 11.704 -1.313 -2.360 1.00 0.00 H new ATOM 0 HG13 VAL A 11 12.295 -2.307 -3.713 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.718 -0.244 -5.931 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.340 -1.981 -6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.057 -0.776 -6.286 1.00 0.00 H new ATOM 150 N PRO A 12 7.222 -1.302 -3.778 1.00 0.00 N ATOM 151 CA PRO A 12 5.909 -0.892 -4.361 1.00 0.00 C ATOM 152 C PRO A 12 5.940 0.549 -4.874 1.00 0.00 C ATOM 153 O PRO A 12 6.701 1.379 -4.376 1.00 0.00 O ATOM 154 CB PRO A 12 4.943 -1.045 -3.177 1.00 0.00 C ATOM 155 CG PRO A 12 5.778 -0.680 -1.990 1.00 0.00 C ATOM 156 CD PRO A 12 7.185 -1.228 -2.295 1.00 0.00 C ATOM 0 HA PRO A 12 5.625 -1.488 -5.228 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.080 -0.387 -3.277 1.00 0.00 H new ATOM 0 HB3 PRO A 12 4.561 -2.063 -3.100 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.800 0.400 -1.843 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.375 -1.118 -1.077 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.963 -0.570 -1.908 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.340 -2.207 -1.842 1.00 0.00 H new ATOM 164 N ARG A 13 5.092 0.837 -5.859 1.00 0.00 N ATOM 165 CA ARG A 13 4.997 2.182 -6.432 1.00 0.00 C ATOM 166 C ARG A 13 3.607 2.391 -7.027 1.00 0.00 C ATOM 167 O ARG A 13 3.124 1.568 -7.803 1.00 0.00 O ATOM 168 CB ARG A 13 6.066 2.372 -7.509 1.00 0.00 C ATOM 169 CG ARG A 13 6.025 3.811 -8.033 1.00 0.00 C ATOM 170 CD ARG A 13 7.200 4.038 -8.984 1.00 0.00 C ATOM 171 NE ARG A 13 7.067 3.185 -10.159 1.00 0.00 N ATOM 172 CZ ARG A 13 8.044 3.097 -11.055 1.00 0.00 C ATOM 173 NH1 ARG A 13 7.899 2.334 -12.103 1.00 0.00 N ATOM 174 NH2 ARG A 13 9.148 3.771 -10.884 1.00 0.00 N ATOM 0 H ARG A 13 4.459 0.157 -6.279 1.00 0.00 H new ATOM 0 HA ARG A 13 5.161 2.918 -5.645 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.052 2.153 -7.099 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.899 1.672 -8.328 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.083 3.995 -8.550 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.075 4.514 -7.202 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.235 5.084 -9.287 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.138 3.822 -8.473 1.00 0.00 H new ATOM 0 HE ARG A 13 6.211 2.648 -10.295 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.036 1.806 -12.234 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.648 2.266 -12.792 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.261 4.365 -10.063 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.898 3.704 -11.572 1.00 0.00 H new ATOM 188 N LEU A 14 2.964 3.488 -6.640 1.00 0.00 N ATOM 189 CA LEU A 14 1.619 3.796 -7.122 1.00 0.00 C ATOM 190 C LEU A 14 1.634 4.166 -8.622 1.00 0.00 C ATOM 191 O LEU A 14 2.295 5.132 -9.002 1.00 0.00 O ATOM 192 CB LEU A 14 1.049 4.971 -6.316 1.00 0.00 C ATOM 193 CG LEU A 14 0.909 4.579 -4.827 1.00 0.00 C ATOM 194 CD1 LEU A 14 0.524 5.822 -4.015 1.00 0.00 C ATOM 195 CD2 LEU A 14 -0.168 3.474 -4.641 1.00 0.00 C ATOM 0 H LEU A 14 3.350 4.178 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 14 0.996 2.911 -6.993 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.703 5.838 -6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.077 5.259 -6.717 1.00 0.00 H new ATOM 0 HG LEU A 14 1.863 4.185 -4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.423 5.553 -2.964 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.299 6.581 -4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.424 6.216 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.247 3.217 -3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.131 3.840 -4.998 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.117 2.589 -5.210 1.00 0.00 H new ATOM 207 N PRO A 15 0.928 3.444 -9.491 1.00 0.00 N ATOM 208 CA PRO A 15 0.899 3.768 -10.953 1.00 0.00 C ATOM 209 C PRO A 15 -0.013 4.953 -11.260 1.00 0.00 C ATOM 210 O PRO A 15 -0.897 5.295 -10.474 1.00 0.00 O ATOM 211 CB PRO A 15 0.377 2.474 -11.604 1.00 0.00 C ATOM 212 CG PRO A 15 -0.517 1.870 -10.562 1.00 0.00 C ATOM 213 CD PRO A 15 0.086 2.260 -9.196 1.00 0.00 C ATOM 0 HA PRO A 15 1.877 4.067 -11.329 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.169 2.684 -12.524 1.00 0.00 H new ATOM 0 HB3 PRO A 15 1.195 1.802 -11.865 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.536 2.245 -10.659 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.565 0.787 -10.671 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.692 2.496 -8.471 1.00 0.00 H new ATOM 0 HD3 PRO A 15 0.677 1.446 -8.775 1.00 0.00 H new ATOM 221 N ARG A 16 0.205 5.565 -12.417 1.00 0.00 N ATOM 222 CA ARG A 16 -0.606 6.698 -12.834 1.00 0.00 C ATOM 223 C ARG A 16 -2.080 6.303 -12.873 1.00 0.00 C ATOM 224 O ARG A 16 -2.415 5.141 -13.100 1.00 0.00 O ATOM 225 CB ARG A 16 -0.159 7.175 -14.217 1.00 0.00 C ATOM 226 CG ARG A 16 -0.948 8.428 -14.614 1.00 0.00 C ATOM 227 CD ARG A 16 -0.399 8.980 -15.928 1.00 0.00 C ATOM 228 NE ARG A 16 0.966 9.455 -15.739 1.00 0.00 N ATOM 229 CZ ARG A 16 1.665 9.956 -16.751 1.00 0.00 C ATOM 230 NH1 ARG A 16 2.889 10.363 -16.557 1.00 0.00 N ATOM 231 NH2 ARG A 16 1.128 10.044 -17.937 1.00 0.00 N ATOM 0 H ARG A 16 0.933 5.297 -13.079 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.477 7.508 -12.116 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.909 7.394 -14.209 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.317 6.386 -14.953 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.005 8.186 -14.722 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.872 9.182 -13.830 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.420 8.205 -16.694 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.031 9.795 -16.281 1.00 0.00 H new ATOM 0 HE ARG A 16 1.392 9.402 -14.814 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.308 10.296 -15.629 1.00 0.00 H new ATOM 0 HH12 ARG A 16 3.427 10.748 -17.333 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.170 9.728 -18.088 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.666 10.429 -18.713 1.00 0.00 H new ATOM 245 N GLY A 17 -2.957 7.281 -12.656 1.00 0.00 N ATOM 246 CA GLY A 17 -4.398 7.033 -12.673 1.00 0.00 C ATOM 247 C GLY A 17 -4.876 6.485 -11.335 1.00 0.00 C ATOM 248 O GLY A 17 -5.987 5.966 -11.232 1.00 0.00 O ATOM 0 H GLY A 17 -2.697 8.249 -12.467 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.927 7.959 -12.900 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.639 6.325 -13.466 1.00 0.00 H new ATOM 252 N VAL A 18 -4.031 6.605 -10.306 1.00 0.00 N ATOM 253 CA VAL A 18 -4.373 6.124 -8.962 1.00 0.00 C ATOM 254 C VAL A 18 -4.034 7.188 -7.926 1.00 0.00 C ATOM 255 O VAL A 18 -2.937 7.746 -7.929 1.00 0.00 O ATOM 256 CB VAL A 18 -3.597 4.837 -8.653 1.00 0.00 C ATOM 257 CG1 VAL A 18 -3.990 4.317 -7.263 1.00 0.00 C ATOM 258 CG2 VAL A 18 -3.930 3.779 -9.712 1.00 0.00 C ATOM 0 H VAL A 18 -3.107 7.030 -10.377 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.442 5.916 -8.924 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.527 5.044 -8.668 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.437 3.403 -7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -3.753 5.071 -6.512 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.060 4.108 -7.242 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.381 2.863 -9.496 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -5.000 3.573 -9.696 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.646 4.149 -10.697 1.00 0.00 H new ATOM 268 N ARG A 19 -4.991 7.470 -7.040 1.00 0.00 N ATOM 269 CA ARG A 19 -4.805 8.478 -5.992 1.00 0.00 C ATOM 270 C ARG A 19 -5.362 7.967 -4.673 1.00 0.00 C ATOM 271 O ARG A 19 -6.201 7.065 -4.650 1.00 0.00 O ATOM 272 CB ARG A 19 -5.525 9.766 -6.378 1.00 0.00 C ATOM 273 CG ARG A 19 -4.937 10.295 -7.684 1.00 0.00 C ATOM 274 CD ARG A 19 -5.616 11.609 -8.055 1.00 0.00 C ATOM 275 NE ARG A 19 -7.032 11.386 -8.331 1.00 0.00 N ATOM 276 CZ ARG A 19 -7.433 10.776 -9.442 1.00 0.00 C ATOM 277 NH1 ARG A 19 -8.706 10.596 -9.663 1.00 0.00 N ATOM 278 NH2 ARG A 19 -6.554 10.355 -10.309 1.00 0.00 N ATOM 0 H ARG A 19 -5.904 7.015 -7.027 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.739 8.676 -5.881 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.593 9.580 -6.495 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.416 10.509 -5.588 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.863 10.447 -7.576 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.077 9.564 -8.480 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.505 12.326 -7.241 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.132 12.042 -8.930 1.00 0.00 H new ATOM 0 HE ARG A 19 -7.728 11.705 -7.657 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -9.393 10.923 -8.984 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -9.015 10.128 -10.515 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -5.559 10.494 -10.135 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.862 9.887 -11.161 1.00 0.00 H new ATOM 292 N LEU A 20 -4.893 8.547 -3.570 1.00 0.00 N ATOM 293 CA LEU A 20 -5.356 8.137 -2.244 1.00 0.00 C ATOM 294 C LEU A 20 -6.498 9.038 -1.787 1.00 0.00 C ATOM 295 O LEU A 20 -6.270 10.132 -1.269 1.00 0.00 O ATOM 296 CB LEU A 20 -4.191 8.228 -1.244 1.00 0.00 C ATOM 297 CG LEU A 20 -2.917 7.634 -1.865 1.00 0.00 C ATOM 298 CD1 LEU A 20 -1.817 7.604 -0.807 1.00 0.00 C ATOM 299 CD2 LEU A 20 -3.180 6.205 -2.372 1.00 0.00 C ATOM 0 H LEU A 20 -4.200 9.295 -3.566 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.715 7.109 -2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.019 9.268 -0.967 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.444 7.692 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.610 8.252 -2.709 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.909 7.184 -1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.618 8.618 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.138 6.989 0.034 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.267 5.800 -2.809 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.494 5.576 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.965 6.226 -3.128 1.00 0.00 H new ATOM 311 N ARG A 21 -7.728 8.564 -1.977 1.00 0.00 N ATOM 312 CA ARG A 21 -8.912 9.323 -1.576 1.00 0.00 C ATOM 313 C ARG A 21 -9.310 8.964 -0.152 1.00 0.00 C ATOM 314 O ARG A 21 -9.214 7.808 0.254 1.00 0.00 O ATOM 315 CB ARG A 21 -10.075 9.011 -2.522 1.00 0.00 C ATOM 316 CG ARG A 21 -9.747 9.528 -3.922 1.00 0.00 C ATOM 317 CD ARG A 21 -10.875 9.148 -4.876 1.00 0.00 C ATOM 318 NE ARG A 21 -12.125 9.761 -4.445 1.00 0.00 N ATOM 319 CZ ARG A 21 -13.277 9.465 -5.039 1.00 0.00 C ATOM 320 NH1 ARG A 21 -14.381 10.026 -4.630 1.00 0.00 N ATOM 321 NH2 ARG A 21 -13.302 8.613 -6.027 1.00 0.00 N ATOM 0 H ARG A 21 -7.931 7.661 -2.405 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.677 10.386 -1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.254 7.936 -2.553 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.990 9.477 -2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -9.621 10.611 -3.902 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.804 9.104 -4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.631 9.474 -5.887 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -10.985 8.064 -4.908 1.00 0.00 H new ATOM 0 HE ARG A 21 -12.116 10.429 -3.674 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -14.359 10.690 -3.856 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -15.266 9.801 -5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.438 8.174 -6.344 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.186 8.386 -6.483 1.00 0.00 H new ATOM 335 N PHE A 22 -9.764 9.966 0.604 1.00 0.00 N ATOM 336 CA PHE A 22 -10.191 9.755 1.989 1.00 0.00 C ATOM 337 C PHE A 22 -11.714 9.732 2.064 1.00 0.00 C ATOM 338 O PHE A 22 -12.380 10.708 1.717 1.00 0.00 O ATOM 339 CB PHE A 22 -9.636 10.871 2.879 1.00 0.00 C ATOM 340 CG PHE A 22 -10.117 10.669 4.306 1.00 0.00 C ATOM 341 CD1 PHE A 22 -9.668 9.561 5.039 1.00 0.00 C ATOM 342 CD2 PHE A 22 -11.010 11.579 4.896 1.00 0.00 C ATOM 343 CE1 PHE A 22 -10.109 9.363 6.354 1.00 0.00 C ATOM 344 CE2 PHE A 22 -11.447 11.380 6.209 1.00 0.00 C ATOM 345 CZ PHE A 22 -10.997 10.273 6.938 1.00 0.00 C ATOM 0 H PHE A 22 -9.845 10.930 0.281 1.00 0.00 H new ATOM 0 HA PHE A 22 -9.806 8.798 2.341 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.546 10.868 2.848 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.963 11.843 2.508 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -8.981 8.859 4.589 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -11.359 12.433 4.335 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -9.764 8.508 6.917 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -12.133 12.081 6.661 1.00 0.00 H new ATOM 0 HZ PHE A 22 -11.336 10.121 7.952 1.00 0.00 H new ATOM 355 N ASP A 23 -12.259 8.607 2.524 1.00 0.00 N ATOM 356 CA ASP A 23 -13.707 8.451 2.648 1.00 0.00 C ATOM 357 C ASP A 23 -14.168 8.989 3.996 1.00 0.00 C ATOM 358 O ASP A 23 -14.105 8.291 5.005 1.00 0.00 O ATOM 359 CB ASP A 23 -14.077 6.968 2.535 1.00 0.00 C ATOM 360 CG ASP A 23 -13.799 6.463 1.122 1.00 0.00 C ATOM 361 OD1 ASP A 23 -13.646 7.289 0.236 1.00 0.00 O ATOM 362 OD2 ASP A 23 -13.743 5.258 0.946 1.00 0.00 O ATOM 0 H ASP A 23 -11.721 7.791 2.817 1.00 0.00 H new ATOM 0 HA ASP A 23 -14.197 9.008 1.850 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.503 6.386 3.257 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.130 6.829 2.778 1.00 0.00 H new ATOM 367 N GLU A 24 -14.624 10.233 4.004 1.00 0.00 N ATOM 368 CA GLU A 24 -15.088 10.857 5.236 1.00 0.00 C ATOM 369 C GLU A 24 -16.292 10.111 5.796 1.00 0.00 C ATOM 370 O GLU A 24 -16.468 10.015 7.011 1.00 0.00 O ATOM 371 CB GLU A 24 -15.455 12.320 4.971 1.00 0.00 C ATOM 372 CG GLU A 24 -15.899 12.987 6.275 1.00 0.00 C ATOM 373 CD GLU A 24 -16.127 14.479 6.054 1.00 0.00 C ATOM 374 OE1 GLU A 24 -15.684 14.982 5.034 1.00 0.00 O ATOM 375 OE2 GLU A 24 -16.737 15.097 6.909 1.00 0.00 O ATOM 0 H GLU A 24 -14.683 10.828 3.177 1.00 0.00 H new ATOM 0 HA GLU A 24 -14.284 10.815 5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.598 12.850 4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -16.255 12.376 4.232 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -16.816 12.521 6.636 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.141 12.838 7.044 1.00 0.00 H new ATOM 382 N VAL A 25 -17.122 9.597 4.906 1.00 0.00 N ATOM 383 CA VAL A 25 -18.317 8.873 5.322 1.00 0.00 C ATOM 384 C VAL A 25 -17.943 7.653 6.156 1.00 0.00 C ATOM 385 O VAL A 25 -18.528 7.401 7.209 1.00 0.00 O ATOM 386 CB VAL A 25 -19.125 8.464 4.067 1.00 0.00 C ATOM 387 CG1 VAL A 25 -18.201 7.902 2.975 1.00 0.00 C ATOM 388 CG2 VAL A 25 -20.205 7.423 4.421 1.00 0.00 C ATOM 0 H VAL A 25 -16.995 9.665 3.896 1.00 0.00 H new ATOM 0 HA VAL A 25 -18.934 9.519 5.946 1.00 0.00 H new ATOM 0 HB VAL A 25 -19.613 9.361 3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -18.795 7.622 2.105 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -17.472 8.661 2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -17.680 7.024 3.356 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -20.758 7.153 3.522 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -19.731 6.534 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -20.891 7.845 5.156 1.00 0.00 H new ATOM 398 N ARG A 26 -16.967 6.901 5.676 1.00 0.00 N ATOM 399 CA ARG A 26 -16.506 5.706 6.360 1.00 0.00 C ATOM 400 C ARG A 26 -15.288 6.019 7.235 1.00 0.00 C ATOM 401 O ARG A 26 -14.819 5.168 7.990 1.00 0.00 O ATOM 402 CB ARG A 26 -16.156 4.656 5.307 1.00 0.00 C ATOM 403 CG ARG A 26 -17.424 4.124 4.642 1.00 0.00 C ATOM 404 CD ARG A 26 -17.031 3.101 3.579 1.00 0.00 C ATOM 405 NE ARG A 26 -18.225 2.576 2.924 1.00 0.00 N ATOM 406 CZ ARG A 26 -18.948 1.604 3.476 1.00 0.00 C ATOM 407 NH1 ARG A 26 -20.018 1.166 2.872 1.00 0.00 N ATOM 408 NH2 ARG A 26 -18.584 1.092 4.619 1.00 0.00 N ATOM 0 H ARG A 26 -16.474 7.101 4.805 1.00 0.00 H new ATOM 0 HA ARG A 26 -17.291 5.328 7.015 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -15.499 5.092 4.555 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.609 3.835 5.771 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -18.075 3.664 5.385 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -17.984 4.942 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.376 3.565 2.841 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.470 2.286 4.037 1.00 0.00 H new ATOM 0 HE ARG A 26 -18.511 2.962 2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -20.300 1.568 1.978 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -20.573 0.421 3.294 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.747 1.436 5.089 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -19.137 0.347 5.043 1.00 0.00 H new ATOM 422 N ASN A 27 -14.790 7.248 7.130 1.00 0.00 N ATOM 423 CA ASN A 27 -13.635 7.671 7.920 1.00 0.00 C ATOM 424 C ASN A 27 -12.439 6.743 7.707 1.00 0.00 C ATOM 425 O ASN A 27 -11.750 6.380 8.661 1.00 0.00 O ATOM 426 CB ASN A 27 -13.999 7.700 9.408 1.00 0.00 C ATOM 427 CG ASN A 27 -12.868 8.330 10.216 1.00 0.00 C ATOM 428 OD1 ASN A 27 -12.235 7.658 11.029 1.00 0.00 O ATOM 429 ND2 ASN A 27 -12.574 9.591 10.040 1.00 0.00 N ATOM 0 H ASN A 27 -15.165 7.966 6.510 1.00 0.00 H new ATOM 0 HA ASN A 27 -13.355 8.671 7.588 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -14.919 8.266 9.554 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -14.189 6.687 9.763 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.819 10.018 10.577 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -13.099 10.148 9.366 1.00 0.00 H new ATOM 436 N LYS A 28 -12.180 6.375 6.448 1.00 0.00 N ATOM 437 CA LYS A 28 -11.043 5.505 6.116 1.00 0.00 C ATOM 438 C LYS A 28 -10.442 5.899 4.774 1.00 0.00 C ATOM 439 O LYS A 28 -11.095 6.553 3.960 1.00 0.00 O ATOM 440 CB LYS A 28 -11.472 4.027 6.064 1.00 0.00 C ATOM 441 CG LYS A 28 -12.503 3.792 4.944 1.00 0.00 C ATOM 442 CD LYS A 28 -12.757 2.287 4.769 1.00 0.00 C ATOM 443 CE LYS A 28 -13.285 1.662 6.072 1.00 0.00 C ATOM 444 NZ LYS A 28 -12.132 1.322 6.955 1.00 0.00 N ATOM 0 H LYS A 28 -12.738 6.663 5.644 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.296 5.629 6.900 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -10.599 3.396 5.898 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -11.898 3.734 7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.436 4.301 5.185 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.140 4.219 4.009 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -13.477 2.127 3.967 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.833 1.791 4.472 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.954 2.358 6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -13.866 0.766 5.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.206 0.329 7.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.243 1.460 6.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.142 1.940 7.792 1.00 0.00 H new ATOM 458 N HIS A 29 -9.202 5.473 4.538 1.00 0.00 N ATOM 459 CA HIS A 29 -8.522 5.755 3.274 1.00 0.00 C ATOM 460 C HIS A 29 -8.731 4.585 2.328 1.00 0.00 C ATOM 461 O HIS A 29 -8.770 3.430 2.752 1.00 0.00 O ATOM 462 CB HIS A 29 -7.022 5.963 3.509 1.00 0.00 C ATOM 463 CG HIS A 29 -6.799 7.248 4.258 1.00 0.00 C ATOM 464 ND1 HIS A 29 -6.957 7.343 5.629 1.00 0.00 N ATOM 465 CD2 HIS A 29 -6.438 8.504 3.835 1.00 0.00 C ATOM 466 CE1 HIS A 29 -6.697 8.613 5.983 1.00 0.00 C ATOM 467 NE2 HIS A 29 -6.376 9.364 4.926 1.00 0.00 N ATOM 0 H HIS A 29 -8.649 4.933 5.203 1.00 0.00 H new ATOM 0 HA HIS A 29 -8.936 6.665 2.840 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -6.613 5.126 4.075 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -6.495 5.991 2.555 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -7.223 6.585 6.258 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.234 8.781 2.811 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -6.742 8.981 6.997 1.00 0.00 H new ATOM 475 N VAL A 30 -8.877 4.890 1.043 1.00 0.00 N ATOM 476 CA VAL A 30 -9.097 3.863 0.026 1.00 0.00 C ATOM 477 C VAL A 30 -8.252 4.161 -1.200 1.00 0.00 C ATOM 478 O VAL A 30 -7.818 5.296 -1.405 1.00 0.00 O ATOM 479 CB VAL A 30 -10.581 3.839 -0.362 1.00 0.00 C ATOM 480 CG1 VAL A 30 -11.432 3.513 0.877 1.00 0.00 C ATOM 481 CG2 VAL A 30 -10.995 5.208 -0.926 1.00 0.00 C ATOM 0 H VAL A 30 -8.847 5.842 0.678 1.00 0.00 H new ATOM 0 HA VAL A 30 -8.810 2.891 0.427 1.00 0.00 H new ATOM 0 HB VAL A 30 -10.740 3.075 -1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -12.486 3.496 0.600 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -11.144 2.538 1.270 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -11.269 4.274 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.050 5.185 -1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -10.833 5.977 -0.171 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -10.396 5.434 -1.808 1.00 0.00 H new ATOM 491 N LEU A 31 -8.015 3.134 -2.015 1.00 0.00 N ATOM 492 CA LEU A 31 -7.212 3.285 -3.232 1.00 0.00 C ATOM 493 C LEU A 31 -8.126 3.340 -4.452 1.00 0.00 C ATOM 494 O LEU A 31 -8.887 2.406 -4.705 1.00 0.00 O ATOM 495 CB LEU A 31 -6.248 2.086 -3.374 1.00 0.00 C ATOM 496 CG LEU A 31 -5.153 2.387 -4.440 1.00 0.00 C ATOM 497 CD1 LEU A 31 -3.954 3.096 -3.787 1.00 0.00 C ATOM 498 CD2 LEU A 31 -4.659 1.081 -5.083 1.00 0.00 C ATOM 0 H LEU A 31 -8.366 2.189 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.638 4.209 -3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.779 1.873 -2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.807 1.195 -3.660 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.592 3.030 -5.203 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.196 3.300 -4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.285 4.034 -3.342 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.531 2.456 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.894 1.308 -5.826 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.237 0.434 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.495 0.574 -5.566 1.00 0.00 H new ATOM 510 N LEU A 32 -8.034 4.423 -5.220 1.00 0.00 N ATOM 511 CA LEU A 32 -8.849 4.556 -6.426 1.00 0.00 C ATOM 512 C LEU A 32 -8.238 3.709 -7.534 1.00 0.00 C ATOM 513 O LEU A 32 -7.271 4.124 -8.171 1.00 0.00 O ATOM 514 CB LEU A 32 -8.892 6.027 -6.872 1.00 0.00 C ATOM 515 CG LEU A 32 -9.840 6.210 -8.081 1.00 0.00 C ATOM 516 CD1 LEU A 32 -11.310 5.917 -7.688 1.00 0.00 C ATOM 517 CD2 LEU A 32 -9.711 7.652 -8.592 1.00 0.00 C ATOM 0 H LEU A 32 -7.413 5.211 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.864 4.219 -6.216 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.227 6.652 -6.044 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.889 6.360 -7.138 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.559 5.506 -8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.953 6.054 -8.557 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -11.394 4.890 -7.332 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.618 6.601 -6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.374 7.796 -9.445 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.986 8.346 -7.797 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.681 7.839 -8.897 1.00 0.00 H new ATOM 529 N ALA A 33 -8.796 2.519 -7.765 1.00 0.00 N ATOM 530 CA ALA A 33 -8.279 1.625 -8.809 1.00 0.00 C ATOM 531 C ALA A 33 -9.099 1.795 -10.100 1.00 0.00 C ATOM 532 O ALA A 33 -10.300 2.049 -10.025 1.00 0.00 O ATOM 533 CB ALA A 33 -8.376 0.171 -8.334 1.00 0.00 C ATOM 0 H ALA A 33 -9.597 2.153 -7.251 1.00 0.00 H new ATOM 0 HA ALA A 33 -7.238 1.877 -9.009 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -7.992 -0.492 -9.110 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.787 0.045 -7.425 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -9.418 -0.076 -8.129 1.00 0.00 H new ATOM 539 N PRO A 34 -8.515 1.653 -11.276 1.00 0.00 N ATOM 540 CA PRO A 34 -9.289 1.795 -12.549 1.00 0.00 C ATOM 541 C PRO A 34 -10.591 0.984 -12.545 1.00 0.00 C ATOM 542 O PRO A 34 -11.606 1.426 -13.083 1.00 0.00 O ATOM 543 CB PRO A 34 -8.322 1.253 -13.624 1.00 0.00 C ATOM 544 CG PRO A 34 -6.953 1.502 -13.071 1.00 0.00 C ATOM 545 CD PRO A 34 -7.082 1.367 -11.542 1.00 0.00 C ATOM 0 HA PRO A 34 -9.601 2.826 -12.715 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -8.488 0.191 -13.805 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -8.463 1.765 -14.576 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -6.236 0.783 -13.467 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.595 2.494 -13.346 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.805 0.368 -11.205 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.431 2.071 -11.023 1.00 0.00 H new ATOM 553 N GLU A 35 -10.547 -0.213 -11.963 1.00 0.00 N ATOM 554 CA GLU A 35 -11.724 -1.080 -11.936 1.00 0.00 C ATOM 555 C GLU A 35 -12.765 -0.571 -10.943 1.00 0.00 C ATOM 556 O GLU A 35 -13.929 -0.400 -11.303 1.00 0.00 O ATOM 557 CB GLU A 35 -11.296 -2.499 -11.547 1.00 0.00 C ATOM 558 CG GLU A 35 -12.488 -3.458 -11.651 1.00 0.00 C ATOM 559 CD GLU A 35 -12.036 -4.888 -11.364 1.00 0.00 C ATOM 560 OE1 GLU A 35 -10.840 -5.130 -11.388 1.00 0.00 O ATOM 561 OE2 GLU A 35 -12.894 -5.722 -11.124 1.00 0.00 O ATOM 0 H GLU A 35 -9.720 -0.601 -11.509 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.174 -1.081 -12.929 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.491 -2.836 -12.200 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.904 -2.503 -10.530 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -13.264 -3.165 -10.944 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.926 -3.400 -12.647 1.00 0.00 H new ATOM 568 N ARG A 36 -12.339 -0.328 -9.705 1.00 0.00 N ATOM 569 CA ARG A 36 -13.248 0.159 -8.665 1.00 0.00 C ATOM 570 C ARG A 36 -12.485 0.449 -7.378 1.00 0.00 C ATOM 571 O ARG A 36 -11.462 -0.171 -7.096 1.00 0.00 O ATOM 572 CB ARG A 36 -14.332 -0.889 -8.375 1.00 0.00 C ATOM 573 CG ARG A 36 -15.327 -0.338 -7.347 1.00 0.00 C ATOM 574 CD ARG A 36 -16.508 -1.300 -7.215 1.00 0.00 C ATOM 575 NE ARG A 36 -17.265 -1.328 -8.461 1.00 0.00 N ATOM 576 CZ ARG A 36 -18.261 -2.187 -8.642 1.00 0.00 C ATOM 577 NH1 ARG A 36 -18.917 -2.194 -9.770 1.00 0.00 N ATOM 578 NH2 ARG A 36 -18.585 -3.023 -7.694 1.00 0.00 N ATOM 0 H ARG A 36 -11.376 -0.459 -9.397 1.00 0.00 H new ATOM 0 HA ARG A 36 -13.711 1.078 -9.025 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -14.854 -1.150 -9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.875 -1.804 -7.998 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.837 -0.212 -6.382 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -15.679 0.646 -7.656 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -16.149 -2.301 -6.975 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -17.153 -0.988 -6.394 1.00 0.00 H new ATOM 0 HE ARG A 36 -17.025 -0.676 -9.207 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -18.664 -1.540 -10.511 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -19.682 -2.853 -9.911 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.073 -3.017 -6.812 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.351 -3.682 -7.835 1.00 0.00 H new ATOM 592 N THR A 37 -13.001 1.385 -6.590 1.00 0.00 N ATOM 593 CA THR A 37 -12.368 1.738 -5.324 1.00 0.00 C ATOM 594 C THR A 37 -12.496 0.589 -4.326 1.00 0.00 C ATOM 595 O THR A 37 -13.574 0.014 -4.166 1.00 0.00 O ATOM 596 CB THR A 37 -13.028 2.994 -4.751 1.00 0.00 C ATOM 597 OG1 THR A 37 -12.962 4.039 -5.712 1.00 0.00 O ATOM 598 CG2 THR A 37 -12.308 3.424 -3.472 1.00 0.00 C ATOM 0 H THR A 37 -13.849 1.910 -6.802 1.00 0.00 H new ATOM 0 HA THR A 37 -11.310 1.931 -5.502 1.00 0.00 H new ATOM 0 HB THR A 37 -14.070 2.779 -4.515 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.386 4.845 -5.349 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.783 4.319 -3.070 1.00 0.00 H new ATOM 0 HG22 THR A 37 -12.363 2.622 -2.736 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.263 3.638 -3.697 1.00 0.00 H new ATOM 606 N PHE A 38 -11.384 0.255 -3.662 1.00 0.00 N ATOM 607 CA PHE A 38 -11.358 -0.838 -2.677 1.00 0.00 C ATOM 608 C PHE A 38 -11.281 -0.280 -1.257 1.00 0.00 C ATOM 609 O PHE A 38 -10.535 0.661 -0.987 1.00 0.00 O ATOM 610 CB PHE A 38 -10.139 -1.735 -2.951 1.00 0.00 C ATOM 611 CG PHE A 38 -10.376 -2.532 -4.222 1.00 0.00 C ATOM 612 CD1 PHE A 38 -9.954 -2.027 -5.460 1.00 0.00 C ATOM 613 CD2 PHE A 38 -11.030 -3.769 -4.160 1.00 0.00 C ATOM 614 CE1 PHE A 38 -10.184 -2.761 -6.631 1.00 0.00 C ATOM 615 CE2 PHE A 38 -11.257 -4.502 -5.330 1.00 0.00 C ATOM 616 CZ PHE A 38 -10.835 -3.998 -6.565 1.00 0.00 C ATOM 0 H PHE A 38 -10.488 0.725 -3.787 1.00 0.00 H new ATOM 0 HA PHE A 38 -12.275 -1.421 -2.768 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -9.241 -1.126 -3.052 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -9.974 -2.410 -2.111 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -9.452 -1.072 -5.511 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -11.360 -4.158 -3.208 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -9.859 -2.372 -7.585 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -11.758 -5.457 -5.280 1.00 0.00 H new ATOM 0 HZ PHE A 38 -11.012 -4.564 -7.468 1.00 0.00 H new ATOM 626 N ASP A 39 -12.058 -0.875 -0.352 1.00 0.00 N ATOM 627 CA ASP A 39 -12.071 -0.441 1.043 1.00 0.00 C ATOM 628 C ASP A 39 -10.779 -0.871 1.734 1.00 0.00 C ATOM 629 O ASP A 39 -10.474 -2.060 1.814 1.00 0.00 O ATOM 630 CB ASP A 39 -13.281 -1.042 1.769 1.00 0.00 C ATOM 631 CG ASP A 39 -13.351 -0.549 3.213 1.00 0.00 C ATOM 632 OD1 ASP A 39 -12.315 -0.467 3.850 1.00 0.00 O ATOM 633 OD2 ASP A 39 -14.448 -0.255 3.660 1.00 0.00 O ATOM 0 H ASP A 39 -12.683 -1.654 -0.559 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.145 0.646 1.075 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.197 -0.771 1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -13.215 -2.130 1.755 1.00 0.00 H new ATOM 638 N LEU A 40 -10.019 0.107 2.229 1.00 0.00 N ATOM 639 CA LEU A 40 -8.747 -0.162 2.914 1.00 0.00 C ATOM 640 C LEU A 40 -8.660 0.660 4.193 1.00 0.00 C ATOM 641 O LEU A 40 -9.332 1.681 4.334 1.00 0.00 O ATOM 642 CB LEU A 40 -7.570 0.198 2.002 1.00 0.00 C ATOM 643 CG LEU A 40 -7.571 -0.691 0.741 1.00 0.00 C ATOM 644 CD1 LEU A 40 -6.518 -0.162 -0.241 1.00 0.00 C ATOM 645 CD2 LEU A 40 -7.250 -2.165 1.098 1.00 0.00 C ATOM 0 H LEU A 40 -10.260 1.096 2.170 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.703 -1.223 3.159 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.633 1.247 1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.632 0.072 2.542 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.562 -0.658 0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.511 -0.784 -1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.759 0.865 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.535 -0.191 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.257 -2.769 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.266 -2.221 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.001 -2.543 1.792 1.00 0.00 H new ATOM 657 N ASP A 41 -7.832 0.204 5.131 1.00 0.00 N ATOM 658 CA ASP A 41 -7.668 0.900 6.406 1.00 0.00 C ATOM 659 C ASP A 41 -6.637 2.013 6.275 1.00 0.00 C ATOM 660 O ASP A 41 -5.829 2.021 5.346 1.00 0.00 O ATOM 661 CB ASP A 41 -7.201 -0.087 7.476 1.00 0.00 C ATOM 662 CG ASP A 41 -8.123 -1.301 7.495 1.00 0.00 C ATOM 663 OD1 ASP A 41 -9.282 -1.144 7.147 1.00 0.00 O ATOM 664 OD2 ASP A 41 -7.658 -2.370 7.854 1.00 0.00 O ATOM 0 H ASP A 41 -7.267 -0.640 5.033 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.628 1.331 6.691 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.177 -0.400 7.273 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.199 0.396 8.453 1.00 0.00 H new ATOM 669 N ASP A 42 -6.670 2.944 7.214 1.00 0.00 N ATOM 670 CA ASP A 42 -5.736 4.058 7.204 1.00 0.00 C ATOM 671 C ASP A 42 -4.300 3.550 7.301 1.00 0.00 C ATOM 672 O ASP A 42 -3.417 4.014 6.581 1.00 0.00 O ATOM 673 CB ASP A 42 -6.039 4.984 8.386 1.00 0.00 C ATOM 674 CG ASP A 42 -7.358 5.719 8.159 1.00 0.00 C ATOM 675 OD1 ASP A 42 -7.903 5.599 7.075 1.00 0.00 O ATOM 676 OD2 ASP A 42 -7.804 6.390 9.075 1.00 0.00 O ATOM 0 H ASP A 42 -7.331 2.951 7.991 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.848 4.607 6.269 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.092 4.404 9.307 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.230 5.704 8.509 1.00 0.00 H new ATOM 681 N ASN A 43 -4.077 2.602 8.200 1.00 0.00 N ATOM 682 CA ASN A 43 -2.746 2.045 8.391 1.00 0.00 C ATOM 683 C ASN A 43 -2.278 1.328 7.130 1.00 0.00 C ATOM 684 O ASN A 43 -1.095 1.353 6.804 1.00 0.00 O ATOM 685 CB ASN A 43 -2.744 1.073 9.573 1.00 0.00 C ATOM 686 CG ASN A 43 -1.339 0.515 9.789 1.00 0.00 C ATOM 687 OD1 ASN A 43 -0.351 1.203 9.529 1.00 0.00 O ATOM 688 ND2 ASN A 43 -1.191 -0.696 10.250 1.00 0.00 N ATOM 0 H ASN A 43 -4.796 2.205 8.805 1.00 0.00 H new ATOM 0 HA ASN A 43 -2.059 2.864 8.602 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -3.084 1.583 10.474 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -3.443 0.258 9.385 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -0.255 -1.075 10.396 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.011 -1.264 10.465 1.00 0.00 H new ATOM 695 N ALA A 44 -3.209 0.683 6.435 1.00 0.00 N ATOM 696 CA ALA A 44 -2.876 -0.050 5.216 1.00 0.00 C ATOM 697 C ALA A 44 -2.482 0.903 4.089 1.00 0.00 C ATOM 698 O ALA A 44 -1.498 0.671 3.388 1.00 0.00 O ATOM 699 CB ALA A 44 -4.088 -0.881 4.783 1.00 0.00 C ATOM 0 H ALA A 44 -4.196 0.652 6.692 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.027 -0.701 5.424 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.846 -1.431 3.873 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.348 -1.585 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.933 -0.220 4.593 1.00 0.00 H new ATOM 705 N VAL A 45 -3.250 1.977 3.915 1.00 0.00 N ATOM 706 CA VAL A 45 -2.959 2.950 2.862 1.00 0.00 C ATOM 707 C VAL A 45 -1.815 3.861 3.285 1.00 0.00 C ATOM 708 O VAL A 45 -1.109 4.419 2.445 1.00 0.00 O ATOM 709 CB VAL A 45 -4.198 3.800 2.568 1.00 0.00 C ATOM 710 CG1 VAL A 45 -3.898 4.772 1.416 1.00 0.00 C ATOM 711 CG2 VAL A 45 -5.364 2.885 2.180 1.00 0.00 C ATOM 0 H VAL A 45 -4.069 2.195 4.482 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.672 2.405 1.963 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.465 4.370 3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.782 5.375 1.209 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.071 5.424 1.696 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.628 4.207 0.524 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.247 3.489 1.971 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.097 2.312 1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.579 2.201 3.001 1.00 0.00 H new ATOM 721 N ALA A 46 -1.637 4.011 4.592 1.00 0.00 N ATOM 722 CA ALA A 46 -0.576 4.863 5.112 1.00 0.00 C ATOM 723 C ALA A 46 0.777 4.407 4.574 1.00 0.00 C ATOM 724 O ALA A 46 1.686 5.214 4.381 1.00 0.00 O ATOM 725 CB ALA A 46 -0.568 4.816 6.644 1.00 0.00 C ATOM 0 H ALA A 46 -2.208 3.558 5.305 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.759 5.887 4.787 1.00 0.00 H new ATOM 0 HB1 ALA A 46 0.229 5.456 7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.528 5.167 7.024 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.399 3.791 6.976 1.00 0.00 H new ATOM 731 N VAL A 47 0.899 3.106 4.341 1.00 0.00 N ATOM 732 CA VAL A 47 2.144 2.537 3.836 1.00 0.00 C ATOM 733 C VAL A 47 2.499 3.127 2.473 1.00 0.00 C ATOM 734 O VAL A 47 3.646 3.501 2.223 1.00 0.00 O ATOM 735 CB VAL A 47 1.998 1.010 3.704 1.00 0.00 C ATOM 736 CG1 VAL A 47 3.373 0.365 3.515 1.00 0.00 C ATOM 737 CG2 VAL A 47 1.339 0.450 4.962 1.00 0.00 C ATOM 0 H VAL A 47 0.154 2.426 4.493 1.00 0.00 H new ATOM 0 HA VAL A 47 2.941 2.777 4.540 1.00 0.00 H new ATOM 0 HB VAL A 47 1.378 0.785 2.836 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.259 -0.715 3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.839 0.759 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.002 0.591 4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.236 -0.631 4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.956 0.682 5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.354 0.899 5.087 1.00 0.00 H new ATOM 747 N LEU A 48 1.505 3.186 1.591 1.00 0.00 N ATOM 748 CA LEU A 48 1.708 3.708 0.241 1.00 0.00 C ATOM 749 C LEU A 48 1.788 5.233 0.258 1.00 0.00 C ATOM 750 O LEU A 48 2.299 5.847 -0.679 1.00 0.00 O ATOM 751 CB LEU A 48 0.554 3.260 -0.664 1.00 0.00 C ATOM 752 CG LEU A 48 0.311 1.749 -0.502 1.00 0.00 C ATOM 753 CD1 LEU A 48 -0.813 1.318 -1.452 1.00 0.00 C ATOM 754 CD2 LEU A 48 1.596 0.956 -0.822 1.00 0.00 C ATOM 0 H LEU A 48 0.552 2.879 1.786 1.00 0.00 H new ATOM 0 HA LEU A 48 2.649 3.316 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.352 3.811 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.787 3.489 -1.704 1.00 0.00 H new ATOM 0 HG LEU A 48 0.026 1.542 0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.991 0.248 -1.343 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.724 1.864 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.523 1.535 -2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.405 -0.110 -0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.901 1.157 -1.849 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.391 1.261 -0.141 1.00 0.00 H new ATOM 766 N LYS A 49 1.282 5.839 1.329 1.00 0.00 N ATOM 767 CA LYS A 49 1.307 7.298 1.471 1.00 0.00 C ATOM 768 C LYS A 49 2.610 7.754 2.127 1.00 0.00 C ATOM 769 O LYS A 49 3.131 8.826 1.814 1.00 0.00 O ATOM 770 CB LYS A 49 0.114 7.752 2.316 1.00 0.00 C ATOM 771 CG LYS A 49 0.007 9.284 2.301 1.00 0.00 C ATOM 772 CD LYS A 49 -1.321 9.724 2.936 1.00 0.00 C ATOM 773 CE LYS A 49 -1.406 9.251 4.396 1.00 0.00 C ATOM 774 NZ LYS A 49 -2.448 10.046 5.104 1.00 0.00 N ATOM 0 H LYS A 49 0.850 5.347 2.111 1.00 0.00 H new ATOM 0 HA LYS A 49 1.244 7.747 0.480 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.805 7.312 1.928 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.229 7.398 3.341 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.843 9.721 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.069 9.651 1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -1.408 10.810 2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -2.156 9.315 2.367 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.652 8.190 4.434 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.441 9.373 4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.512 9.732 6.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -2.194 11.054 5.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.367 9.908 4.637 1.00 0.00 H new ATOM 788 N LEU A 50 3.126 6.940 3.050 1.00 0.00 N ATOM 789 CA LEU A 50 4.362 7.282 3.755 1.00 0.00 C ATOM 790 C LEU A 50 5.567 7.200 2.820 1.00 0.00 C ATOM 791 O LEU A 50 6.528 7.955 2.967 1.00 0.00 O ATOM 792 CB LEU A 50 4.569 6.310 4.936 1.00 0.00 C ATOM 793 CG LEU A 50 5.622 6.870 5.939 1.00 0.00 C ATOM 794 CD1 LEU A 50 4.940 7.760 6.989 1.00 0.00 C ATOM 795 CD2 LEU A 50 6.328 5.713 6.661 1.00 0.00 C ATOM 0 H LEU A 50 2.712 6.049 3.324 1.00 0.00 H new ATOM 0 HA LEU A 50 4.275 8.305 4.122 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.621 6.149 5.450 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.897 5.341 4.561 1.00 0.00 H new ATOM 0 HG LEU A 50 6.349 7.457 5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.688 8.144 7.682 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.444 8.594 6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.203 7.175 7.538 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.062 6.114 7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.593 5.122 7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.831 5.081 5.930 1.00 0.00 H new ATOM 807 N VAL A 51 5.510 6.279 1.860 1.00 0.00 N ATOM 808 CA VAL A 51 6.606 6.114 0.906 1.00 0.00 C ATOM 809 C VAL A 51 6.587 7.231 -0.137 1.00 0.00 C ATOM 810 O VAL A 51 5.578 7.454 -0.807 1.00 0.00 O ATOM 811 CB VAL A 51 6.507 4.739 0.224 1.00 0.00 C ATOM 812 CG1 VAL A 51 5.174 4.610 -0.525 1.00 0.00 C ATOM 813 CG2 VAL A 51 7.670 4.571 -0.760 1.00 0.00 C ATOM 0 H VAL A 51 4.726 5.642 1.722 1.00 0.00 H new ATOM 0 HA VAL A 51 7.550 6.172 1.447 1.00 0.00 H new ATOM 0 HB VAL A 51 6.558 3.962 0.986 1.00 0.00 H new ATOM 0 HG11 VAL A 51 5.118 3.632 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.349 4.718 0.179 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.107 5.389 -1.284 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.600 3.597 -1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.623 5.355 -1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.615 4.642 -0.222 1.00 0.00 H new ATOM 823 N ASP A 52 7.709 7.930 -0.267 1.00 0.00 N ATOM 824 CA ASP A 52 7.821 9.017 -1.235 1.00 0.00 C ATOM 825 C ASP A 52 7.859 8.460 -2.660 1.00 0.00 C ATOM 826 O ASP A 52 7.174 8.963 -3.552 1.00 0.00 O ATOM 827 CB ASP A 52 9.093 9.826 -0.953 1.00 0.00 C ATOM 828 CG ASP A 52 8.952 10.581 0.369 1.00 0.00 C ATOM 829 OD1 ASP A 52 7.831 10.729 0.830 1.00 0.00 O ATOM 830 OD2 ASP A 52 9.967 10.994 0.904 1.00 0.00 O ATOM 0 H ASP A 52 8.552 7.765 0.283 1.00 0.00 H new ATOM 0 HA ASP A 52 6.951 9.667 -1.141 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.955 9.160 -0.911 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.274 10.530 -1.765 1.00 0.00 H new ATOM 835 N GLY A 53 8.668 7.415 -2.864 1.00 0.00 N ATOM 836 CA GLY A 53 8.806 6.776 -4.182 1.00 0.00 C ATOM 837 C GLY A 53 8.883 5.263 -4.034 1.00 0.00 C ATOM 838 O GLY A 53 7.863 4.603 -3.837 1.00 0.00 O ATOM 0 H GLY A 53 9.239 6.991 -2.133 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.958 7.043 -4.813 1.00 0.00 H new ATOM 0 HA3 GLY A 53 9.703 7.145 -4.680 1.00 0.00 H new ATOM 842 N ARG A 54 10.101 4.715 -4.127 1.00 0.00 N ATOM 843 CA ARG A 54 10.307 3.266 -3.985 1.00 0.00 C ATOM 844 C ARG A 54 11.140 2.963 -2.742 1.00 0.00 C ATOM 845 O ARG A 54 12.358 3.138 -2.748 1.00 0.00 O ATOM 846 CB ARG A 54 11.043 2.746 -5.222 1.00 0.00 C ATOM 847 CG ARG A 54 10.126 2.854 -6.441 1.00 0.00 C ATOM 848 CD ARG A 54 10.867 2.371 -7.687 1.00 0.00 C ATOM 849 NE ARG A 54 11.954 3.286 -8.012 1.00 0.00 N ATOM 850 CZ ARG A 54 12.816 3.011 -8.986 1.00 0.00 C ATOM 851 NH1 ARG A 54 13.776 3.851 -9.260 1.00 0.00 N ATOM 852 NH2 ARG A 54 12.702 1.903 -9.665 1.00 0.00 N ATOM 0 H ARG A 54 10.954 5.247 -4.299 1.00 0.00 H new ATOM 0 HA ARG A 54 9.338 2.777 -3.886 1.00 0.00 H new ATOM 0 HB2 ARG A 54 11.954 3.322 -5.386 1.00 0.00 H new ATOM 0 HB3 ARG A 54 11.344 1.710 -5.071 1.00 0.00 H new ATOM 0 HG2 ARG A 54 9.227 2.257 -6.286 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.803 3.886 -6.575 1.00 0.00 H new ATOM 0 HD2 ARG A 54 11.263 1.370 -7.518 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.176 2.303 -8.527 1.00 0.00 H new ATOM 0 HE ARG A 54 12.055 4.152 -7.483 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.864 4.716 -8.727 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.439 3.642 -10.007 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.951 1.247 -9.449 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.364 1.692 -10.412 1.00 0.00 H new ATOM 866 N ASN A 55 10.478 2.472 -1.689 1.00 0.00 N ATOM 867 CA ASN A 55 11.155 2.094 -0.438 1.00 0.00 C ATOM 868 C ASN A 55 10.982 0.601 -0.188 1.00 0.00 C ATOM 869 O ASN A 55 9.947 0.024 -0.524 1.00 0.00 O ATOM 870 CB ASN A 55 10.594 2.901 0.739 1.00 0.00 C ATOM 871 CG ASN A 55 11.035 4.359 0.623 1.00 0.00 C ATOM 872 OD1 ASN A 55 11.951 4.672 -0.137 1.00 0.00 O ATOM 873 ND2 ASN A 55 10.437 5.274 1.336 1.00 0.00 N ATOM 0 H ASN A 55 9.469 2.325 -1.676 1.00 0.00 H new ATOM 0 HA ASN A 55 12.218 2.317 -0.530 1.00 0.00 H new ATOM 0 HB2 ASN A 55 9.506 2.840 0.748 1.00 0.00 H new ATOM 0 HB3 ASN A 55 10.944 2.479 1.681 1.00 0.00 H new ATOM 0 HD21 ASN A 55 10.729 6.249 1.263 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.678 5.014 1.966 1.00 0.00 H new ATOM 880 N THR A 56 11.986 -0.022 0.419 1.00 0.00 N ATOM 881 CA THR A 56 11.913 -1.448 0.723 1.00 0.00 C ATOM 882 C THR A 56 11.073 -1.658 1.973 1.00 0.00 C ATOM 883 O THR A 56 11.037 -0.799 2.853 1.00 0.00 O ATOM 884 CB THR A 56 13.320 -2.004 0.947 1.00 0.00 C ATOM 885 OG1 THR A 56 13.845 -1.477 2.158 1.00 0.00 O ATOM 886 CG2 THR A 56 14.217 -1.594 -0.221 1.00 0.00 C ATOM 0 H THR A 56 12.853 0.432 0.708 1.00 0.00 H new ATOM 0 HA THR A 56 11.453 -1.972 -0.115 1.00 0.00 H new ATOM 0 HB THR A 56 13.281 -3.091 1.010 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.746 -1.832 2.306 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.221 -1.989 -0.065 1.00 0.00 H new ATOM 0 HG22 THR A 56 13.810 -1.994 -1.150 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.260 -0.507 -0.282 1.00 0.00 H new ATOM 894 N VAL A 57 10.396 -2.796 2.056 1.00 0.00 N ATOM 895 CA VAL A 57 9.555 -3.084 3.212 1.00 0.00 C ATOM 896 C VAL A 57 10.345 -2.914 4.506 1.00 0.00 C ATOM 897 O VAL A 57 9.832 -2.388 5.494 1.00 0.00 O ATOM 898 CB VAL A 57 9.010 -4.512 3.115 1.00 0.00 C ATOM 899 CG1 VAL A 57 8.262 -4.666 1.789 1.00 0.00 C ATOM 900 CG2 VAL A 57 10.168 -5.524 3.173 1.00 0.00 C ATOM 0 H VAL A 57 10.411 -3.528 1.346 1.00 0.00 H new ATOM 0 HA VAL A 57 8.722 -2.381 3.221 1.00 0.00 H new ATOM 0 HB VAL A 57 8.335 -4.702 3.949 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.869 -5.680 1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 57 7.438 -3.953 1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 57 8.945 -4.475 0.962 1.00 0.00 H new ATOM 0 HG21 VAL A 57 9.770 -6.536 3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.850 -5.344 2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.705 -5.409 4.115 1.00 0.00 H new ATOM 910 N SER A 58 11.595 -3.360 4.491 1.00 0.00 N ATOM 911 CA SER A 58 12.442 -3.248 5.668 1.00 0.00 C ATOM 912 C SER A 58 12.602 -1.790 6.086 1.00 0.00 C ATOM 913 O SER A 58 12.503 -1.465 7.263 1.00 0.00 O ATOM 914 CB SER A 58 13.818 -3.844 5.379 1.00 0.00 C ATOM 915 OG SER A 58 14.606 -3.801 6.560 1.00 0.00 O ATOM 0 H SER A 58 12.040 -3.798 3.685 1.00 0.00 H new ATOM 0 HA SER A 58 11.967 -3.797 6.481 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.716 -4.873 5.033 1.00 0.00 H new ATOM 0 HB3 SER A 58 14.308 -3.287 4.581 1.00 0.00 H new ATOM 0 HG SER A 58 15.489 -4.184 6.378 1.00 0.00 H new ATOM 921 N GLN A 59 12.855 -0.916 5.113 1.00 0.00 N ATOM 922 CA GLN A 59 13.040 0.505 5.406 1.00 0.00 C ATOM 923 C GLN A 59 11.757 1.118 5.960 1.00 0.00 C ATOM 924 O GLN A 59 11.778 1.814 6.976 1.00 0.00 O ATOM 925 CB GLN A 59 13.446 1.247 4.131 1.00 0.00 C ATOM 926 CG GLN A 59 13.793 2.703 4.461 1.00 0.00 C ATOM 927 CD GLN A 59 14.278 3.415 3.204 1.00 0.00 C ATOM 928 OE1 GLN A 59 13.533 3.539 2.232 1.00 0.00 O ATOM 929 NE2 GLN A 59 15.492 3.892 3.165 1.00 0.00 N ATOM 0 H GLN A 59 12.936 -1.162 4.126 1.00 0.00 H new ATOM 0 HA GLN A 59 13.825 0.600 6.156 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.303 0.755 3.671 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.633 1.213 3.406 1.00 0.00 H new ATOM 0 HG2 GLN A 59 12.918 3.213 4.864 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.564 2.737 5.230 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.107 3.788 3.972 1.00 0.00 H new ATOM 0 HE22 GLN A 59 15.826 4.369 2.328 1.00 0.00 H new ATOM 938 N ILE A 60 10.645 0.852 5.289 1.00 0.00 N ATOM 939 CA ILE A 60 9.359 1.383 5.722 1.00 0.00 C ATOM 940 C ILE A 60 9.026 0.869 7.116 1.00 0.00 C ATOM 941 O ILE A 60 8.540 1.614 7.963 1.00 0.00 O ATOM 942 CB ILE A 60 8.253 0.979 4.738 1.00 0.00 C ATOM 943 CG1 ILE A 60 8.631 1.436 3.318 1.00 0.00 C ATOM 944 CG2 ILE A 60 6.933 1.645 5.155 1.00 0.00 C ATOM 945 CD1 ILE A 60 7.660 0.832 2.300 1.00 0.00 C ATOM 0 H ILE A 60 10.606 0.276 4.448 1.00 0.00 H new ATOM 0 HA ILE A 60 9.423 2.471 5.748 1.00 0.00 H new ATOM 0 HB ILE A 60 8.136 -0.105 4.749 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.604 2.524 3.258 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.651 1.129 3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.145 1.360 4.458 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.663 1.320 6.160 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.053 2.728 5.144 1.00 0.00 H new ATOM 0 HD11 ILE A 60 7.934 1.160 1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.708 -0.256 2.352 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.646 1.161 2.525 1.00 0.00 H new ATOM 957 N ALA A 61 9.280 -0.412 7.337 1.00 0.00 N ATOM 958 CA ALA A 61 8.995 -1.034 8.623 1.00 0.00 C ATOM 959 C ALA A 61 9.644 -0.257 9.770 1.00 0.00 C ATOM 960 O ALA A 61 9.041 -0.089 10.831 1.00 0.00 O ATOM 961 CB ALA A 61 9.515 -2.473 8.619 1.00 0.00 C ATOM 0 H ALA A 61 9.683 -1.042 6.643 1.00 0.00 H new ATOM 0 HA ALA A 61 7.916 -1.028 8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 61 9.302 -2.939 9.581 1.00 0.00 H new ATOM 0 HB2 ALA A 61 9.022 -3.036 7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 61 10.591 -2.470 8.447 1.00 0.00 H new ATOM 967 N GLN A 62 10.871 0.209 9.557 1.00 0.00 N ATOM 968 CA GLN A 62 11.579 0.955 10.595 1.00 0.00 C ATOM 969 C GLN A 62 10.850 2.254 10.928 1.00 0.00 C ATOM 970 O GLN A 62 10.522 2.507 12.085 1.00 0.00 O ATOM 971 CB GLN A 62 13.004 1.284 10.127 1.00 0.00 C ATOM 972 CG GLN A 62 13.821 -0.003 9.968 1.00 0.00 C ATOM 973 CD GLN A 62 14.074 -0.650 11.323 1.00 0.00 C ATOM 974 OE1 GLN A 62 14.350 0.042 12.303 1.00 0.00 O ATOM 975 NE2 GLN A 62 14.005 -1.948 11.434 1.00 0.00 N ATOM 0 H GLN A 62 11.391 0.086 8.688 1.00 0.00 H new ATOM 0 HA GLN A 62 11.617 0.333 11.489 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.968 1.820 9.178 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.488 1.943 10.848 1.00 0.00 H new ATOM 0 HG2 GLN A 62 13.289 -0.700 9.320 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.771 0.221 9.483 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.776 -2.518 10.620 1.00 0.00 H new ATOM 0 HE22 GLN A 62 14.180 -2.393 12.335 1.00 0.00 H new ATOM 984 N ILE A 63 10.607 3.080 9.916 1.00 0.00 N ATOM 985 CA ILE A 63 9.929 4.355 10.136 1.00 0.00 C ATOM 986 C ILE A 63 8.483 4.128 10.571 1.00 0.00 C ATOM 987 O ILE A 63 7.996 4.769 11.503 1.00 0.00 O ATOM 988 CB ILE A 63 9.960 5.198 8.851 1.00 0.00 C ATOM 989 CG1 ILE A 63 11.416 5.371 8.381 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.349 6.579 9.135 1.00 0.00 C ATOM 991 CD1 ILE A 63 11.438 6.014 6.991 1.00 0.00 C ATOM 0 H ILE A 63 10.865 2.894 8.947 1.00 0.00 H new ATOM 0 HA ILE A 63 10.452 4.890 10.929 1.00 0.00 H new ATOM 0 HB ILE A 63 9.386 4.695 8.073 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.965 5.993 9.088 1.00 0.00 H new ATOM 0 HG13 ILE A 63 11.916 4.403 8.352 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.369 7.180 8.226 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.318 6.459 9.468 1.00 0.00 H new ATOM 0 HG23 ILE A 63 9.926 7.079 9.913 1.00 0.00 H new ATOM 0 HD11 ILE A 63 12.470 6.135 6.662 1.00 0.00 H new ATOM 0 HD12 ILE A 63 10.905 5.376 6.286 1.00 0.00 H new ATOM 0 HD13 ILE A 63 10.954 6.990 7.034 1.00 0.00 H new ATOM 1003 N LEU A 64 7.802 3.219 9.884 1.00 0.00 N ATOM 1004 CA LEU A 64 6.408 2.916 10.194 1.00 0.00 C ATOM 1005 C LEU A 64 6.298 2.257 11.567 1.00 0.00 C ATOM 1006 O LEU A 64 5.363 2.523 12.323 1.00 0.00 O ATOM 1007 CB LEU A 64 5.827 1.990 9.111 1.00 0.00 C ATOM 1008 CG LEU A 64 4.305 1.801 9.308 1.00 0.00 C ATOM 1009 CD1 LEU A 64 3.551 3.146 9.128 1.00 0.00 C ATOM 1010 CD2 LEU A 64 3.793 0.781 8.278 1.00 0.00 C ATOM 0 H LEU A 64 8.190 2.679 9.110 1.00 0.00 H new ATOM 0 HA LEU A 64 5.839 3.846 10.213 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.021 2.411 8.124 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.326 1.022 9.148 1.00 0.00 H new ATOM 0 HG LEU A 64 4.122 1.441 10.320 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.482 2.986 9.272 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.912 3.867 9.862 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.729 3.531 8.124 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.720 0.640 8.408 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.991 1.149 7.272 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.304 -0.171 8.423 1.00 0.00 H new ATOM 1022 N GLY A 65 7.255 1.391 11.881 1.00 0.00 N ATOM 1023 CA GLY A 65 7.251 0.694 13.163 1.00 0.00 C ATOM 1024 C GLY A 65 7.253 1.680 14.323 1.00 0.00 C ATOM 1025 O GLY A 65 6.576 1.468 15.328 1.00 0.00 O ATOM 0 H GLY A 65 8.038 1.156 11.271 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.372 0.052 13.229 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.125 0.046 13.231 1.00 0.00 H new ATOM 1029 N GLN A 66 8.008 2.762 14.179 1.00 0.00 N ATOM 1030 CA GLN A 66 8.077 3.774 15.227 1.00 0.00 C ATOM 1031 C GLN A 66 6.723 4.461 15.394 1.00 0.00 C ATOM 1032 O GLN A 66 6.352 4.856 16.499 1.00 0.00 O ATOM 1033 CB GLN A 66 9.148 4.815 14.880 1.00 0.00 C ATOM 1034 CG GLN A 66 10.534 4.174 14.964 1.00 0.00 C ATOM 1035 CD GLN A 66 11.595 5.177 14.524 1.00 0.00 C ATOM 1036 OE1 GLN A 66 11.283 6.340 14.268 1.00 0.00 O ATOM 1037 NE2 GLN A 66 12.838 4.795 14.413 1.00 0.00 N ATOM 0 H GLN A 66 8.576 2.961 13.356 1.00 0.00 H new ATOM 0 HA GLN A 66 8.341 3.286 16.165 1.00 0.00 H new ATOM 0 HB2 GLN A 66 8.978 5.206 13.877 1.00 0.00 H new ATOM 0 HB3 GLN A 66 9.085 5.659 15.567 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.732 3.846 15.984 1.00 0.00 H new ATOM 0 HG3 GLN A 66 10.574 3.288 14.331 1.00 0.00 H new ATOM 0 HE21 GLN A 66 13.096 3.831 14.625 1.00 0.00 H new ATOM 0 HE22 GLN A 66 13.551 5.460 14.114 1.00 0.00 H new ATOM 1046 N THR A 67 5.989 4.603 14.294 1.00 0.00 N ATOM 1047 CA THR A 67 4.681 5.247 14.347 1.00 0.00 C ATOM 1048 C THR A 67 3.730 4.455 15.239 1.00 0.00 C ATOM 1049 O THR A 67 3.055 5.023 16.098 1.00 0.00 O ATOM 1050 CB THR A 67 4.094 5.356 12.935 1.00 0.00 C ATOM 1051 OG1 THR A 67 5.051 5.950 12.070 1.00 0.00 O ATOM 1052 CG2 THR A 67 2.824 6.211 12.963 1.00 0.00 C ATOM 0 H THR A 67 6.273 4.286 13.367 1.00 0.00 H new ATOM 0 HA THR A 67 4.804 6.246 14.766 1.00 0.00 H new ATOM 0 HB THR A 67 3.844 4.359 12.572 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.677 6.019 11.167 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.412 6.284 11.956 1.00 0.00 H new ATOM 0 HG22 THR A 67 2.089 5.750 13.623 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.065 7.209 13.330 1.00 0.00 H new ATOM 1060 N TYR A 68 3.689 3.137 15.037 1.00 0.00 N ATOM 1061 CA TYR A 68 2.825 2.261 15.836 1.00 0.00 C ATOM 1062 C TYR A 68 3.599 1.672 17.011 1.00 0.00 C ATOM 1063 O TYR A 68 3.034 0.964 17.843 1.00 0.00 O ATOM 1064 CB TYR A 68 2.282 1.124 14.958 1.00 0.00 C ATOM 1065 CG TYR A 68 1.331 1.694 13.924 1.00 0.00 C ATOM 1066 CD1 TYR A 68 1.824 2.191 12.712 1.00 0.00 C ATOM 1067 CD2 TYR A 68 -0.047 1.730 14.184 1.00 0.00 C ATOM 1068 CE1 TYR A 68 0.941 2.722 11.763 1.00 0.00 C ATOM 1069 CE2 TYR A 68 -0.927 2.260 13.234 1.00 0.00 C ATOM 1070 CZ TYR A 68 -0.432 2.756 12.023 1.00 0.00 C ATOM 1071 OH TYR A 68 -1.298 3.279 11.085 1.00 0.00 O ATOM 0 H TYR A 68 4.241 2.652 14.330 1.00 0.00 H new ATOM 0 HA TYR A 68 1.995 2.852 16.223 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.105 0.606 14.465 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.767 0.388 15.575 1.00 0.00 H new ATOM 0 HD1 TYR A 68 2.884 2.165 12.509 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -0.429 1.348 15.119 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.322 3.106 10.828 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.988 2.286 13.435 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.955 3.096 10.185 1.00 0.00 H new ATOM 1081 N ASP A 69 4.893 1.972 17.076 1.00 0.00 N ATOM 1082 CA ASP A 69 5.730 1.466 18.164 1.00 0.00 C ATOM 1083 C ASP A 69 5.581 -0.045 18.310 1.00 0.00 C ATOM 1084 O ASP A 69 5.131 -0.538 19.345 1.00 0.00 O ATOM 1085 CB ASP A 69 5.341 2.144 19.478 1.00 0.00 C ATOM 1086 CG ASP A 69 6.333 1.768 20.578 1.00 0.00 C ATOM 1087 OD1 ASP A 69 7.088 0.831 20.377 1.00 0.00 O ATOM 1088 OD2 ASP A 69 6.321 2.424 21.606 1.00 0.00 O ATOM 0 H ASP A 69 5.382 2.556 16.398 1.00 0.00 H new ATOM 0 HA ASP A 69 6.769 1.692 17.926 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.325 3.226 19.347 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.334 1.843 19.767 1.00 0.00 H new ATOM 1093 N ALA A 70 5.955 -0.779 17.265 1.00 0.00 N ATOM 1094 CA ALA A 70 5.859 -2.243 17.270 1.00 0.00 C ATOM 1095 C ALA A 70 7.069 -2.850 16.568 1.00 0.00 C ATOM 1096 O ALA A 70 7.765 -2.169 15.817 1.00 0.00 O ATOM 1097 CB ALA A 70 4.572 -2.677 16.565 1.00 0.00 C ATOM 0 H ALA A 70 6.328 -0.387 16.401 1.00 0.00 H new ATOM 0 HA ALA A 70 5.839 -2.596 18.301 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.503 -3.765 16.570 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.712 -2.257 17.086 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.583 -2.319 15.535 1.00 0.00 H new ATOM 1103 N ASP A 71 7.323 -4.128 16.828 1.00 0.00 N ATOM 1104 CA ASP A 71 8.462 -4.815 16.226 1.00 0.00 C ATOM 1105 C ASP A 71 8.401 -4.709 14.685 1.00 0.00 C ATOM 1106 O ASP A 71 7.500 -5.281 14.076 1.00 0.00 O ATOM 1107 CB ASP A 71 8.433 -6.295 16.647 1.00 0.00 C ATOM 1108 CG ASP A 71 8.849 -6.435 18.112 1.00 0.00 C ATOM 1109 OD1 ASP A 71 9.809 -5.789 18.497 1.00 0.00 O ATOM 1110 OD2 ASP A 71 8.201 -7.183 18.825 1.00 0.00 O ATOM 0 H ASP A 71 6.759 -4.708 17.449 1.00 0.00 H new ATOM 0 HA ASP A 71 9.386 -4.349 16.569 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.432 -6.702 16.505 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.105 -6.874 16.014 1.00 0.00 H new ATOM 1115 N PRO A 72 9.321 -4.011 14.028 1.00 0.00 N ATOM 1116 CA PRO A 72 9.304 -3.891 12.533 1.00 0.00 C ATOM 1117 C PRO A 72 9.144 -5.247 11.833 1.00 0.00 C ATOM 1118 O PRO A 72 8.560 -5.330 10.754 1.00 0.00 O ATOM 1119 CB PRO A 72 10.675 -3.259 12.199 1.00 0.00 C ATOM 1120 CG PRO A 72 11.046 -2.479 13.422 1.00 0.00 C ATOM 1121 CD PRO A 72 10.457 -3.255 14.613 1.00 0.00 C ATOM 0 HA PRO A 72 8.457 -3.299 12.187 1.00 0.00 H new ATOM 0 HB2 PRO A 72 11.419 -4.024 11.977 1.00 0.00 H new ATOM 0 HB3 PRO A 72 10.610 -2.614 11.323 1.00 0.00 H new ATOM 0 HG2 PRO A 72 12.128 -2.387 13.513 1.00 0.00 H new ATOM 0 HG3 PRO A 72 10.643 -1.467 13.377 1.00 0.00 H new ATOM 0 HD2 PRO A 72 11.194 -3.924 15.057 1.00 0.00 H new ATOM 0 HD3 PRO A 72 10.123 -2.581 15.402 1.00 0.00 H new ATOM 1129 N ALA A 73 9.685 -6.295 12.444 1.00 0.00 N ATOM 1130 CA ALA A 73 9.622 -7.635 11.864 1.00 0.00 C ATOM 1131 C ALA A 73 8.196 -8.019 11.493 1.00 0.00 C ATOM 1132 O ALA A 73 7.962 -8.682 10.484 1.00 0.00 O ATOM 1133 CB ALA A 73 10.192 -8.655 12.849 1.00 0.00 C ATOM 0 H ALA A 73 10.172 -6.245 13.339 1.00 0.00 H new ATOM 0 HA ALA A 73 10.218 -7.632 10.951 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.142 -9.652 12.410 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.230 -8.407 13.069 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.611 -8.635 13.771 1.00 0.00 H new ATOM 1139 N ILE A 74 7.250 -7.619 12.322 1.00 0.00 N ATOM 1140 CA ILE A 74 5.845 -7.927 12.081 1.00 0.00 C ATOM 1141 C ILE A 74 5.251 -6.962 11.056 1.00 0.00 C ATOM 1142 O ILE A 74 4.386 -7.334 10.261 1.00 0.00 O ATOM 1143 CB ILE A 74 5.087 -7.849 13.408 1.00 0.00 C ATOM 1144 CG1 ILE A 74 5.889 -8.608 14.487 1.00 0.00 C ATOM 1145 CG2 ILE A 74 3.695 -8.471 13.251 1.00 0.00 C ATOM 1146 CD1 ILE A 74 6.219 -10.046 14.041 1.00 0.00 C ATOM 0 H ILE A 74 7.425 -7.080 13.170 1.00 0.00 H new ATOM 0 HA ILE A 74 5.756 -8.934 11.674 1.00 0.00 H new ATOM 0 HB ILE A 74 4.970 -6.807 13.705 1.00 0.00 H new ATOM 0 HG12 ILE A 74 6.813 -8.071 14.699 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.317 -8.636 15.414 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.161 -8.412 14.199 1.00 0.00 H new ATOM 0 HG22 ILE A 74 3.138 -7.929 12.487 1.00 0.00 H new ATOM 0 HG23 ILE A 74 3.794 -9.515 12.955 1.00 0.00 H new ATOM 0 HD11 ILE A 74 6.784 -10.550 14.825 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.293 -10.590 13.854 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.813 -10.016 13.128 1.00 0.00 H new ATOM 1158 N ILE A 75 5.720 -5.717 11.097 1.00 0.00 N ATOM 1159 CA ILE A 75 5.236 -4.680 10.186 1.00 0.00 C ATOM 1160 C ILE A 75 5.536 -5.045 8.734 1.00 0.00 C ATOM 1161 O ILE A 75 4.667 -4.934 7.868 1.00 0.00 O ATOM 1162 CB ILE A 75 5.915 -3.347 10.518 1.00 0.00 C ATOM 1163 CG1 ILE A 75 5.713 -3.011 12.008 1.00 0.00 C ATOM 1164 CG2 ILE A 75 5.337 -2.227 9.648 1.00 0.00 C ATOM 1165 CD1 ILE A 75 4.217 -2.951 12.381 1.00 0.00 C ATOM 0 H ILE A 75 6.435 -5.401 11.752 1.00 0.00 H new ATOM 0 HA ILE A 75 4.157 -4.593 10.310 1.00 0.00 H new ATOM 0 HB ILE A 75 6.982 -3.436 10.314 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.211 -3.762 12.621 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.183 -2.053 12.232 1.00 0.00 H new ATOM 0 HG21 ILE A 75 5.828 -1.285 9.894 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.504 -2.460 8.596 1.00 0.00 H new ATOM 0 HG23 ILE A 75 4.267 -2.138 9.834 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.115 -2.712 13.440 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.724 -2.182 11.786 1.00 0.00 H new ATOM 0 HD13 ILE A 75 3.753 -3.917 12.181 1.00 0.00 H new ATOM 1177 N GLU A 76 6.768 -5.480 8.469 1.00 0.00 N ATOM 1178 CA GLU A 76 7.147 -5.851 7.110 1.00 0.00 C ATOM 1179 C GLU A 76 6.303 -7.034 6.643 1.00 0.00 C ATOM 1180 O GLU A 76 5.796 -7.048 5.521 1.00 0.00 O ATOM 1181 CB GLU A 76 8.645 -6.200 7.036 1.00 0.00 C ATOM 1182 CG GLU A 76 8.991 -7.284 8.060 1.00 0.00 C ATOM 1183 CD GLU A 76 10.502 -7.477 8.136 1.00 0.00 C ATOM 1184 OE1 GLU A 76 11.208 -6.483 8.110 1.00 0.00 O ATOM 1185 OE2 GLU A 76 10.930 -8.617 8.222 1.00 0.00 O ATOM 0 H GLU A 76 7.507 -5.582 9.165 1.00 0.00 H new ATOM 0 HA GLU A 76 6.965 -5.001 6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.896 -6.545 6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 76 9.243 -5.308 7.225 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.603 -7.005 9.040 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.511 -8.223 7.783 1.00 0.00 H new ATOM 1192 N ALA A 77 6.153 -8.019 7.522 1.00 0.00 N ATOM 1193 CA ALA A 77 5.364 -9.206 7.218 1.00 0.00 C ATOM 1194 C ALA A 77 3.883 -8.863 7.083 1.00 0.00 C ATOM 1195 O ALA A 77 3.114 -9.645 6.531 1.00 0.00 O ATOM 1196 CB ALA A 77 5.551 -10.256 8.312 1.00 0.00 C ATOM 0 H ALA A 77 6.569 -8.018 8.453 1.00 0.00 H new ATOM 0 HA ALA A 77 5.713 -9.607 6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.957 -11.139 8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.603 -10.533 8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.226 -9.847 9.269 1.00 0.00 H new ATOM 1202 N ASP A 78 3.485 -7.705 7.613 1.00 0.00 N ATOM 1203 CA ASP A 78 2.083 -7.274 7.549 1.00 0.00 C ATOM 1204 C ASP A 78 1.760 -6.655 6.186 1.00 0.00 C ATOM 1205 O ASP A 78 0.739 -6.971 5.578 1.00 0.00 O ATOM 1206 CB ASP A 78 1.802 -6.259 8.661 1.00 0.00 C ATOM 1207 CG ASP A 78 0.308 -5.951 8.737 1.00 0.00 C ATOM 1208 OD1 ASP A 78 -0.404 -6.301 7.808 1.00 0.00 O ATOM 1209 OD2 ASP A 78 -0.106 -5.374 9.730 1.00 0.00 O ATOM 0 H ASP A 78 4.107 -7.051 8.089 1.00 0.00 H new ATOM 0 HA ASP A 78 1.448 -8.150 7.685 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.148 -6.653 9.617 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.360 -5.341 8.474 1.00 0.00 H new ATOM 1214 N ILE A 79 2.635 -5.759 5.720 1.00 0.00 N ATOM 1215 CA ILE A 79 2.439 -5.087 4.430 1.00 0.00 C ATOM 1216 C ILE A 79 2.822 -6.006 3.269 1.00 0.00 C ATOM 1217 O ILE A 79 2.213 -5.962 2.201 1.00 0.00 O ATOM 1218 CB ILE A 79 3.265 -3.791 4.396 1.00 0.00 C ATOM 1219 CG1 ILE A 79 4.760 -4.123 4.504 1.00 0.00 C ATOM 1220 CG2 ILE A 79 2.844 -2.907 5.582 1.00 0.00 C ATOM 1221 CD1 ILE A 79 5.589 -2.832 4.539 1.00 0.00 C ATOM 0 H ILE A 79 3.483 -5.482 6.214 1.00 0.00 H new ATOM 0 HA ILE A 79 1.383 -4.840 4.318 1.00 0.00 H new ATOM 0 HB ILE A 79 3.088 -3.265 3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.946 -4.708 5.405 1.00 0.00 H new ATOM 0 HG13 ILE A 79 5.066 -4.737 3.657 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.422 -1.983 5.571 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.783 -2.672 5.502 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.028 -3.439 6.516 1.00 0.00 H new ATOM 0 HD11 ILE A 79 6.647 -3.081 4.616 1.00 0.00 H new ATOM 0 HD12 ILE A 79 5.415 -2.263 3.625 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.294 -2.233 5.401 1.00 0.00 H new ATOM 1233 N LEU A 80 3.831 -6.845 3.477 1.00 0.00 N ATOM 1234 CA LEU A 80 4.269 -7.770 2.433 1.00 0.00 C ATOM 1235 C LEU A 80 3.062 -8.480 1.776 1.00 0.00 C ATOM 1236 O LEU A 80 2.851 -8.340 0.570 1.00 0.00 O ATOM 1237 CB LEU A 80 5.273 -8.802 3.025 1.00 0.00 C ATOM 1238 CG LEU A 80 6.742 -8.301 2.911 1.00 0.00 C ATOM 1239 CD1 LEU A 80 7.641 -9.059 3.912 1.00 0.00 C ATOM 1240 CD2 LEU A 80 7.283 -8.534 1.485 1.00 0.00 C ATOM 0 H LEU A 80 4.357 -6.905 4.349 1.00 0.00 H new ATOM 0 HA LEU A 80 4.775 -7.201 1.654 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.031 -8.987 4.072 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.170 -9.752 2.501 1.00 0.00 H new ATOM 0 HG LEU A 80 6.754 -7.234 3.135 1.00 0.00 H new ATOM 0 HD11 LEU A 80 8.667 -8.701 3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.282 -8.886 4.927 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.610 -10.126 3.693 1.00 0.00 H new ATOM 0 HD21 LEU A 80 8.311 -8.178 1.423 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.253 -9.599 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.667 -7.990 0.769 1.00 0.00 H new ATOM 1252 N PRO A 81 2.269 -9.222 2.524 1.00 0.00 N ATOM 1253 CA PRO A 81 1.075 -9.931 1.960 1.00 0.00 C ATOM 1254 C PRO A 81 0.049 -8.949 1.381 1.00 0.00 C ATOM 1255 O PRO A 81 -0.688 -9.284 0.454 1.00 0.00 O ATOM 1256 CB PRO A 81 0.503 -10.709 3.176 1.00 0.00 C ATOM 1257 CG PRO A 81 1.005 -9.954 4.365 1.00 0.00 C ATOM 1258 CD PRO A 81 2.405 -9.480 3.967 1.00 0.00 C ATOM 0 HA PRO A 81 1.332 -10.584 1.126 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.586 -10.738 3.154 1.00 0.00 H new ATOM 0 HB3 PRO A 81 0.849 -11.743 3.186 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.355 -9.112 4.602 1.00 0.00 H new ATOM 0 HG3 PRO A 81 1.039 -10.589 5.251 1.00 0.00 H new ATOM 0 HD2 PRO A 81 2.697 -8.582 4.512 1.00 0.00 H new ATOM 0 HD3 PRO A 81 3.161 -10.238 4.172 1.00 0.00 H new ATOM 1266 N MET A 82 0.006 -7.736 1.933 1.00 0.00 N ATOM 1267 CA MET A 82 -0.938 -6.729 1.456 1.00 0.00 C ATOM 1268 C MET A 82 -0.590 -6.317 0.027 1.00 0.00 C ATOM 1269 O MET A 82 -1.473 -6.164 -0.815 1.00 0.00 O ATOM 1270 CB MET A 82 -0.909 -5.498 2.372 1.00 0.00 C ATOM 1271 CG MET A 82 -1.972 -4.485 1.931 1.00 0.00 C ATOM 1272 SD MET A 82 -1.971 -3.088 3.083 1.00 0.00 S ATOM 1273 CE MET A 82 -0.729 -2.070 2.246 1.00 0.00 C ATOM 0 H MET A 82 0.605 -7.431 2.700 1.00 0.00 H new ATOM 0 HA MET A 82 -1.940 -7.158 1.470 1.00 0.00 H new ATOM 0 HB2 MET A 82 -1.089 -5.799 3.404 1.00 0.00 H new ATOM 0 HB3 MET A 82 0.078 -5.037 2.342 1.00 0.00 H new ATOM 0 HG2 MET A 82 -1.764 -4.138 0.919 1.00 0.00 H new ATOM 0 HG3 MET A 82 -2.955 -4.956 1.911 1.00 0.00 H new ATOM 0 HE1 MET A 82 -0.183 -1.483 2.984 1.00 0.00 H new ATOM 0 HE2 MET A 82 -0.034 -2.714 1.708 1.00 0.00 H new ATOM 0 HE3 MET A 82 -1.222 -1.400 1.542 1.00 0.00 H new ATOM 1283 N LEU A 83 0.701 -6.137 -0.237 1.00 0.00 N ATOM 1284 CA LEU A 83 1.148 -5.737 -1.568 1.00 0.00 C ATOM 1285 C LEU A 83 0.800 -6.811 -2.593 1.00 0.00 C ATOM 1286 O LEU A 83 0.335 -6.507 -3.692 1.00 0.00 O ATOM 1287 CB LEU A 83 2.662 -5.506 -1.560 1.00 0.00 C ATOM 1288 CG LEU A 83 3.009 -4.301 -0.661 1.00 0.00 C ATOM 1289 CD1 LEU A 83 4.532 -4.232 -0.490 1.00 0.00 C ATOM 1290 CD2 LEU A 83 2.484 -2.975 -1.275 1.00 0.00 C ATOM 0 H LEU A 83 1.449 -6.260 0.445 1.00 0.00 H new ATOM 0 HA LEU A 83 0.640 -4.812 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.172 -6.399 -1.198 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.016 -5.326 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 83 2.528 -4.433 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.789 -3.383 0.144 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.888 -5.152 -0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 83 5.003 -4.111 -1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 83 2.743 -2.143 -0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.939 -2.822 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.401 -3.028 -1.383 1.00 0.00 H new ATOM 1302 N ALA A 84 1.021 -8.067 -2.220 1.00 0.00 N ATOM 1303 CA ALA A 84 0.722 -9.184 -3.107 1.00 0.00 C ATOM 1304 C ALA A 84 -0.779 -9.228 -3.402 1.00 0.00 C ATOM 1305 O ALA A 84 -1.195 -9.531 -4.521 1.00 0.00 O ATOM 1306 CB ALA A 84 1.156 -10.501 -2.449 1.00 0.00 C ATOM 0 H ALA A 84 1.404 -8.336 -1.314 1.00 0.00 H new ATOM 0 HA ALA A 84 1.267 -9.051 -4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.930 -11.333 -3.116 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.228 -10.474 -2.253 1.00 0.00 H new ATOM 0 HB3 ALA A 84 0.619 -10.633 -1.510 1.00 0.00 H new ATOM 1312 N GLY A 85 -1.583 -8.929 -2.382 1.00 0.00 N ATOM 1313 CA GLY A 85 -3.036 -8.939 -2.529 1.00 0.00 C ATOM 1314 C GLY A 85 -3.499 -7.865 -3.509 1.00 0.00 C ATOM 1315 O GLY A 85 -4.390 -8.099 -4.326 1.00 0.00 O ATOM 0 H GLY A 85 -1.254 -8.678 -1.450 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.362 -9.919 -2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.504 -8.775 -1.558 1.00 0.00 H new ATOM 1319 N LEU A 86 -2.886 -6.688 -3.424 1.00 0.00 N ATOM 1320 CA LEU A 86 -3.236 -5.582 -4.309 1.00 0.00 C ATOM 1321 C LEU A 86 -2.811 -5.899 -5.738 1.00 0.00 C ATOM 1322 O LEU A 86 -3.497 -5.548 -6.696 1.00 0.00 O ATOM 1323 CB LEU A 86 -2.552 -4.297 -3.833 1.00 0.00 C ATOM 1324 CG LEU A 86 -3.128 -3.858 -2.468 1.00 0.00 C ATOM 1325 CD1 LEU A 86 -2.252 -2.735 -1.893 1.00 0.00 C ATOM 1326 CD2 LEU A 86 -4.587 -3.353 -2.613 1.00 0.00 C ATOM 0 H LEU A 86 -2.147 -6.476 -2.754 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.316 -5.440 -4.286 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.478 -4.459 -3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.697 -3.506 -4.568 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.130 -4.718 -1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.652 -2.419 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.233 -3.099 -1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -2.249 -1.888 -2.580 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.966 -3.051 -1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.611 -2.500 -3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.211 -4.152 -3.013 1.00 0.00 H new ATOM 1338 N ALA A 87 -1.668 -6.561 -5.874 1.00 0.00 N ATOM 1339 CA ALA A 87 -1.152 -6.919 -7.191 1.00 0.00 C ATOM 1340 C ALA A 87 -2.211 -7.669 -7.997 1.00 0.00 C ATOM 1341 O ALA A 87 -2.324 -7.493 -9.211 1.00 0.00 O ATOM 1342 CB ALA A 87 0.092 -7.797 -7.030 1.00 0.00 C ATOM 0 H ALA A 87 -1.083 -6.860 -5.094 1.00 0.00 H new ATOM 0 HA ALA A 87 -0.891 -6.006 -7.726 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.478 -8.065 -8.014 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.855 -7.249 -6.478 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -0.170 -8.703 -6.484 1.00 0.00 H new ATOM 1348 N GLN A 88 -2.985 -8.502 -7.309 1.00 0.00 N ATOM 1349 CA GLN A 88 -4.038 -9.272 -7.957 1.00 0.00 C ATOM 1350 C GLN A 88 -5.072 -8.341 -8.587 1.00 0.00 C ATOM 1351 O GLN A 88 -5.788 -8.725 -9.512 1.00 0.00 O ATOM 1352 CB GLN A 88 -4.723 -10.183 -6.934 1.00 0.00 C ATOM 1353 CG GLN A 88 -3.730 -11.237 -6.437 1.00 0.00 C ATOM 1354 CD GLN A 88 -4.399 -12.143 -5.408 1.00 0.00 C ATOM 1355 OE1 GLN A 88 -3.949 -13.267 -5.186 1.00 0.00 O ATOM 1356 NE2 GLN A 88 -5.451 -11.719 -4.763 1.00 0.00 N ATOM 0 H GLN A 88 -2.902 -8.660 -6.305 1.00 0.00 H new ATOM 0 HA GLN A 88 -3.588 -9.881 -8.742 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.091 -9.592 -6.095 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.588 -10.668 -7.386 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.368 -11.831 -7.276 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.862 -10.750 -5.994 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -5.822 -10.787 -4.949 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -5.902 -12.319 -4.073 1.00 0.00 H new ATOM 1365 N LYS A 89 -5.147 -7.111 -8.072 1.00 0.00 N ATOM 1366 CA LYS A 89 -6.099 -6.116 -8.577 1.00 0.00 C ATOM 1367 C LYS A 89 -5.434 -5.246 -9.636 1.00 0.00 C ATOM 1368 O LYS A 89 -6.075 -4.390 -10.246 1.00 0.00 O ATOM 1369 CB LYS A 89 -6.576 -5.230 -7.424 1.00 0.00 C ATOM 1370 CG LYS A 89 -7.323 -6.087 -6.401 1.00 0.00 C ATOM 1371 CD LYS A 89 -7.730 -5.220 -5.209 1.00 0.00 C ATOM 1372 CE LYS A 89 -8.409 -6.093 -4.153 1.00 0.00 C ATOM 1373 NZ LYS A 89 -9.628 -6.720 -4.738 1.00 0.00 N ATOM 0 H LYS A 89 -4.561 -6.780 -7.306 1.00 0.00 H new ATOM 0 HA LYS A 89 -6.950 -6.634 -9.019 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -5.725 -4.739 -6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.229 -4.443 -7.801 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.206 -6.532 -6.859 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.689 -6.909 -6.067 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.853 -4.732 -4.784 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.408 -4.430 -5.534 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.721 -6.864 -3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.677 -5.491 -3.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -10.215 -7.115 -3.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -10.172 -6.002 -5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.348 -7.481 -5.389 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.142 -5.475 -9.848 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.390 -4.711 -10.837 1.00 0.00 C ATOM 1389 C ARG A 90 -3.471 -3.220 -10.536 1.00 0.00 C ATOM 1390 O ARG A 90 -4.083 -2.458 -11.285 1.00 0.00 O ATOM 1391 CB ARG A 90 -3.940 -4.987 -12.242 1.00 0.00 C ATOM 1392 CG ARG A 90 -2.975 -4.431 -13.294 1.00 0.00 C ATOM 1393 CD ARG A 90 -3.549 -4.667 -14.691 1.00 0.00 C ATOM 1394 NE ARG A 90 -3.596 -6.096 -14.978 1.00 0.00 N ATOM 1395 CZ ARG A 90 -4.036 -6.549 -16.148 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -4.080 -7.834 -16.373 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -4.417 -5.710 -17.072 1.00 0.00 N ATOM 0 H ARG A 90 -3.596 -6.179 -9.351 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.346 -5.021 -10.792 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.072 -6.059 -12.387 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.921 -4.526 -12.356 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -2.817 -3.365 -13.130 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -2.003 -4.915 -13.203 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.550 -4.241 -14.758 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.936 -4.159 -15.435 1.00 0.00 H new ATOM 0 HE ARG A 90 -3.286 -6.760 -14.268 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -3.777 -8.489 -15.652 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -4.417 -8.183 -17.270 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -4.377 -4.706 -16.897 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -4.754 -6.058 -17.969 1.00 0.00 H new ATOM 1411 N VAL A 91 -2.850 -2.807 -9.431 1.00 0.00 N ATOM 1412 CA VAL A 91 -2.851 -1.396 -9.026 1.00 0.00 C ATOM 1413 C VAL A 91 -1.468 -0.962 -8.557 1.00 0.00 C ATOM 1414 O VAL A 91 -1.263 0.192 -8.184 1.00 0.00 O ATOM 1415 CB VAL A 91 -3.865 -1.185 -7.905 1.00 0.00 C ATOM 1416 CG1 VAL A 91 -5.260 -1.567 -8.406 1.00 0.00 C ATOM 1417 CG2 VAL A 91 -3.495 -2.061 -6.699 1.00 0.00 C ATOM 0 H VAL A 91 -2.340 -3.425 -8.800 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.126 -0.790 -9.889 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.858 -0.138 -7.603 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -5.987 -1.417 -7.608 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.524 -0.942 -9.259 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.264 -2.614 -8.709 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.221 -1.907 -5.901 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.499 -3.110 -6.996 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.502 -1.789 -6.343 1.00 0.00 H new ATOM 1427 N LEU A 92 -0.518 -1.895 -8.580 1.00 0.00 N ATOM 1428 CA LEU A 92 0.861 -1.618 -8.167 1.00 0.00 C ATOM 1429 C LEU A 92 1.768 -1.555 -9.374 1.00 0.00 C ATOM 1430 O LEU A 92 1.360 -1.842 -10.498 1.00 0.00 O ATOM 1431 CB LEU A 92 1.371 -2.722 -7.238 1.00 0.00 C ATOM 1432 CG LEU A 92 0.639 -2.698 -5.888 1.00 0.00 C ATOM 1433 CD1 LEU A 92 1.088 -3.928 -5.080 1.00 0.00 C ATOM 1434 CD2 LEU A 92 0.960 -1.395 -5.101 1.00 0.00 C ATOM 0 H LEU A 92 -0.677 -2.856 -8.882 1.00 0.00 H new ATOM 0 HA LEU A 92 0.869 -0.661 -7.645 1.00 0.00 H new ATOM 0 HB2 LEU A 92 1.231 -3.693 -7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.442 -2.598 -7.076 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.438 -2.723 -6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.581 -3.934 -4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 92 0.835 -4.836 -5.628 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.166 -3.887 -4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 92 0.429 -1.404 -4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.033 -1.336 -4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.644 -0.530 -5.684 1.00 0.00 H new ATOM 1446 N GLU A 93 3.012 -1.175 -9.117 1.00 0.00 N ATOM 1447 CA GLU A 93 4.012 -1.065 -10.165 1.00 0.00 C ATOM 1448 C GLU A 93 5.402 -1.368 -9.616 1.00 0.00 C ATOM 1449 O GLU A 93 5.721 -1.055 -8.469 1.00 0.00 O ATOM 1450 CB GLU A 93 3.973 0.347 -10.739 1.00 0.00 C ATOM 1451 CG GLU A 93 4.948 0.474 -11.905 1.00 0.00 C ATOM 1452 CD GLU A 93 4.809 1.851 -12.550 1.00 0.00 C ATOM 1453 OE1 GLU A 93 3.821 2.516 -12.279 1.00 0.00 O ATOM 1454 OE2 GLU A 93 5.689 2.219 -13.310 1.00 0.00 O ATOM 0 H GLU A 93 3.352 -0.937 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 93 3.792 -1.790 -10.949 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.963 0.582 -11.074 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.228 1.069 -9.963 1.00 0.00 H new ATOM 0 HG2 GLU A 93 5.970 0.329 -11.554 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.751 -0.304 -12.642 1.00 0.00 H new ATOM 1461 N ARG A 94 6.221 -1.977 -10.459 1.00 0.00 N ATOM 1462 CA ARG A 94 7.588 -2.333 -10.091 1.00 0.00 C ATOM 1463 C ARG A 94 8.384 -2.714 -11.338 1.00 0.00 C ATOM 1464 O ARG A 94 9.357 -3.437 -11.200 1.00 0.00 O ATOM 1465 CB ARG A 94 7.579 -3.513 -9.114 1.00 0.00 C ATOM 1466 CG ARG A 94 6.750 -4.661 -9.703 1.00 0.00 C ATOM 1467 CD ARG A 94 6.838 -5.883 -8.789 1.00 0.00 C ATOM 1468 NE ARG A 94 8.187 -6.436 -8.826 1.00 0.00 N ATOM 1469 CZ ARG A 94 8.501 -7.522 -8.131 1.00 0.00 C ATOM 1470 NH1 ARG A 94 9.715 -7.998 -8.177 1.00 0.00 N ATOM 1471 NH2 ARG A 94 7.594 -8.118 -7.406 1.00 0.00 N ATOM 1472 OXT ARG A 94 8.005 -2.280 -12.413 1.00 0.00 O ATOM 0 H ARG A 94 5.963 -2.238 -11.411 1.00 0.00 H new ATOM 0 HA ARG A 94 8.056 -1.472 -9.613 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.599 -3.848 -8.923 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.161 -3.203 -8.157 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.711 -4.352 -9.814 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.116 -4.913 -10.699 1.00 0.00 H new ATOM 0 HD2 ARG A 94 6.578 -5.603 -7.768 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.118 -6.637 -9.106 1.00 0.00 H new ATOM 0 HE ARG A 94 8.901 -5.981 -9.395 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.423 -7.535 -8.747 1.00 0.00 H new ATOM 0 HH12 ARG A 94 9.956 -8.833 -7.643 1.00 0.00 H new ATOM 0 HH21 ARG A 94 6.644 -7.749 -7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.836 -8.953 -6.872 1.00 0.00 H new TER 1486 ARG A 94