USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 674 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 78 LYS NZ :NH3+ 168:sc= 0.394 (180deg=-0.361) USER MOD Set 1.2: A 79 ASN : amide:sc= -0.0736 K(o=0.32,f=-7.3!) USER MOD Set 2.1: A 28 HIS : no HD1:sc= -1.85 K(o=-2,f=-10!) USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= -0.168 USER MOD Set 3.1: A 62 GLN : amide:sc= -0.284 K(o=-0.35,f=-4.8!) USER MOD Set 3.2: A 65 ASN : amide:sc= -0.0629 K(o=-0.35,f=-0.93) USER MOD Set 4.1: A 24 THR OG1 : rot 180:sc= -0.799 USER MOD Set 4.2: A 27 SER OG : rot -64:sc= 1.05 USER MOD Single : A 4 THR OG1 : rot 165:sc= 0.386 USER MOD Single : A 10 THR OG1 : rot 83:sc= 1.21 USER MOD Single : A 15 THR OG1 : rot 79:sc= 1.22 USER MOD Single : A 16 CYS SG : rot 180:sc= -0.217 USER MOD Single : A 22 THR OG1 : rot -25:sc= 0.968 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -153:sc= 0.823 (180deg=0.395) USER MOD Single : A 59 LYS NZ :NH3+ -175:sc= 0.581 (180deg=0.56) USER MOD Single : A 61 THR OG1 : rot 69:sc= 1.08 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0.623 K(o=0.62,f=-5!) USER MOD Single : A 74 TYR OH : rot -149:sc= 0.178 USER MOD ----------------------------------------------------------------- ATOM 45 N THR A 4 -9.148 1.854 -1.698 1.00 0.00 N ATOM 46 CA THR A 4 -7.742 1.958 -1.254 1.00 0.00 C ATOM 47 C THR A 4 -7.145 3.345 -1.547 1.00 0.00 C ATOM 48 O THR A 4 -6.573 3.965 -0.661 1.00 0.00 O ATOM 49 CB THR A 4 -6.847 0.885 -1.929 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.454 -0.397 -1.775 1.00 0.00 O ATOM 51 CG2 THR A 4 -5.422 0.864 -1.336 1.00 0.00 C ATOM 0 HA THR A 4 -7.758 1.795 -0.176 1.00 0.00 H new ATOM 0 HB THR A 4 -6.757 1.137 -2.986 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.037 -1.033 -2.394 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.830 0.098 -1.838 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.953 1.837 -1.481 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.475 0.641 -0.270 1.00 0.00 H new ATOM 59 N PHE A 5 -7.348 3.826 -2.782 1.00 0.00 N ATOM 60 CA PHE A 5 -6.831 5.132 -3.233 1.00 0.00 C ATOM 61 C PHE A 5 -7.390 6.290 -2.381 1.00 0.00 C ATOM 62 O PHE A 5 -6.626 7.135 -1.915 1.00 0.00 O ATOM 63 CB PHE A 5 -7.141 5.365 -4.738 1.00 0.00 C ATOM 64 CG PHE A 5 -6.737 6.763 -5.211 1.00 0.00 C ATOM 65 CD1 PHE A 5 -5.390 7.131 -5.282 1.00 0.00 C ATOM 66 CD2 PHE A 5 -7.700 7.727 -5.520 1.00 0.00 C ATOM 67 CE1 PHE A 5 -5.026 8.414 -5.636 1.00 0.00 C ATOM 68 CE2 PHE A 5 -7.332 9.000 -5.885 1.00 0.00 C ATOM 69 CZ PHE A 5 -5.997 9.344 -5.941 1.00 0.00 C ATOM 0 H PHE A 5 -7.874 3.324 -3.497 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.749 5.114 -3.102 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.616 4.618 -5.333 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.207 5.220 -4.913 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.625 6.402 -5.057 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -8.747 7.468 -5.471 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.982 8.689 -5.674 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -8.088 9.732 -6.128 1.00 0.00 H new ATOM 0 HZ PHE A 5 -5.711 10.346 -6.225 1.00 0.00 H new ATOM 79 N ASP A 6 -8.718 6.301 -2.193 1.00 0.00 N ATOM 80 CA ASP A 6 -9.416 7.323 -1.379 1.00 0.00 C ATOM 81 C ASP A 6 -8.878 7.342 0.060 1.00 0.00 C ATOM 82 O ASP A 6 -8.616 8.410 0.606 1.00 0.00 O ATOM 83 CB ASP A 6 -10.943 7.055 -1.374 1.00 0.00 C ATOM 84 CG ASP A 6 -11.732 7.938 -0.386 1.00 0.00 C ATOM 85 OD1 ASP A 6 -11.744 9.175 -0.560 1.00 0.00 O ATOM 86 OD2 ASP A 6 -12.340 7.397 0.567 1.00 0.00 O ATOM 0 H ASP A 6 -9.343 5.605 -2.598 1.00 0.00 H new ATOM 0 HA ASP A 6 -9.228 8.299 -1.827 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -11.333 7.215 -2.379 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -11.117 6.008 -1.128 1.00 0.00 H new ATOM 91 N ARG A 7 -8.684 6.145 0.629 1.00 0.00 N ATOM 92 CA ARG A 7 -8.196 5.963 2.004 1.00 0.00 C ATOM 93 C ARG A 7 -6.776 6.533 2.155 1.00 0.00 C ATOM 94 O ARG A 7 -6.533 7.351 3.040 1.00 0.00 O ATOM 95 CB ARG A 7 -8.237 4.463 2.393 1.00 0.00 C ATOM 96 CG ARG A 7 -9.652 3.839 2.462 1.00 0.00 C ATOM 97 CD ARG A 7 -10.556 4.549 3.482 1.00 0.00 C ATOM 98 NE ARG A 7 -9.983 4.503 4.844 1.00 0.00 N ATOM 99 CZ ARG A 7 -10.162 5.423 5.801 1.00 0.00 C ATOM 100 NH1 ARG A 7 -10.843 6.532 5.572 1.00 0.00 N ATOM 101 NH2 ARG A 7 -9.624 5.239 6.982 1.00 0.00 N ATOM 0 H ARG A 7 -8.863 5.266 0.143 1.00 0.00 H new ATOM 0 HA ARG A 7 -8.850 6.511 2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -7.644 3.901 1.672 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -7.756 4.343 3.364 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -10.115 3.885 1.476 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -9.569 2.785 2.726 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -10.698 5.587 3.182 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.540 4.080 3.485 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.399 3.699 5.076 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -11.246 6.702 4.650 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.966 7.218 6.317 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.074 4.400 7.167 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.755 5.935 7.716 1.00 0.00 H new ATOM 115 N VAL A 8 -5.871 6.127 1.240 1.00 0.00 N ATOM 116 CA VAL A 8 -4.460 6.576 1.210 1.00 0.00 C ATOM 117 C VAL A 8 -4.366 8.102 1.006 1.00 0.00 C ATOM 118 O VAL A 8 -3.565 8.774 1.654 1.00 0.00 O ATOM 119 CB VAL A 8 -3.657 5.833 0.077 1.00 0.00 C ATOM 120 CG1 VAL A 8 -2.210 6.368 -0.045 1.00 0.00 C ATOM 121 CG2 VAL A 8 -3.657 4.308 0.318 1.00 0.00 C ATOM 0 H VAL A 8 -6.100 5.471 0.493 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.017 6.327 2.174 1.00 0.00 H new ATOM 0 HB VAL A 8 -4.161 6.035 -0.868 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.689 5.830 -0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.234 7.431 -0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.686 6.220 0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.097 3.814 -0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.191 4.092 1.279 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.683 3.940 0.321 1.00 0.00 H new ATOM 131 N ALA A 9 -5.221 8.625 0.120 1.00 0.00 N ATOM 132 CA ALA A 9 -5.306 10.060 -0.193 1.00 0.00 C ATOM 133 C ALA A 9 -5.691 10.875 1.056 1.00 0.00 C ATOM 134 O ALA A 9 -5.078 11.897 1.365 1.00 0.00 O ATOM 135 CB ALA A 9 -6.332 10.275 -1.324 1.00 0.00 C ATOM 0 H ALA A 9 -5.884 8.057 -0.408 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.328 10.410 -0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.398 11.337 -1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.016 9.726 -2.211 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -7.309 9.913 -1.003 1.00 0.00 H new ATOM 141 N THR A 10 -6.702 10.368 1.782 1.00 0.00 N ATOM 142 CA THR A 10 -7.192 10.965 3.037 1.00 0.00 C ATOM 143 C THR A 10 -6.112 10.862 4.146 1.00 0.00 C ATOM 144 O THR A 10 -5.993 11.763 4.979 1.00 0.00 O ATOM 145 CB THR A 10 -8.528 10.279 3.485 1.00 0.00 C ATOM 146 OG1 THR A 10 -9.468 10.317 2.398 1.00 0.00 O ATOM 147 CG2 THR A 10 -9.173 10.948 4.712 1.00 0.00 C ATOM 0 H THR A 10 -7.207 9.524 1.512 1.00 0.00 H new ATOM 0 HA THR A 10 -7.397 12.022 2.864 1.00 0.00 H new ATOM 0 HB THR A 10 -8.277 9.256 3.764 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.290 9.573 1.785 1.00 0.00 H new ATOM 0 HG21 THR A 10 -10.094 10.425 4.970 1.00 0.00 H new ATOM 0 HG22 THR A 10 -8.483 10.905 5.555 1.00 0.00 H new ATOM 0 HG23 THR A 10 -9.400 11.989 4.482 1.00 0.00 H new ATOM 155 N ILE A 11 -5.316 9.770 4.113 1.00 0.00 N ATOM 156 CA ILE A 11 -4.152 9.582 5.003 1.00 0.00 C ATOM 157 C ILE A 11 -3.108 10.685 4.785 1.00 0.00 C ATOM 158 O ILE A 11 -2.675 11.302 5.749 1.00 0.00 O ATOM 159 CB ILE A 11 -3.501 8.152 4.801 1.00 0.00 C ATOM 160 CG1 ILE A 11 -4.444 7.036 5.352 1.00 0.00 C ATOM 161 CG2 ILE A 11 -2.092 8.046 5.435 1.00 0.00 C ATOM 162 CD1 ILE A 11 -4.027 5.611 5.041 1.00 0.00 C ATOM 0 H ILE A 11 -5.464 8.994 3.467 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.510 9.649 6.031 1.00 0.00 H new ATOM 0 HB ILE A 11 -3.374 8.008 3.728 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.514 7.147 6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.444 7.199 4.949 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -1.692 7.046 5.267 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -1.431 8.783 4.978 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -2.160 8.235 6.506 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.751 4.918 5.470 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.987 5.471 3.961 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -3.043 5.418 5.469 1.00 0.00 H new ATOM 174 N ILE A 12 -2.740 10.954 3.514 1.00 0.00 N ATOM 175 CA ILE A 12 -1.726 11.982 3.172 1.00 0.00 C ATOM 176 C ILE A 12 -2.206 13.366 3.660 1.00 0.00 C ATOM 177 O ILE A 12 -1.447 14.139 4.273 1.00 0.00 O ATOM 178 CB ILE A 12 -1.466 12.015 1.613 1.00 0.00 C ATOM 179 CG1 ILE A 12 -1.001 10.617 1.099 1.00 0.00 C ATOM 180 CG2 ILE A 12 -0.451 13.120 1.209 1.00 0.00 C ATOM 181 CD1 ILE A 12 -0.897 10.492 -0.414 1.00 0.00 C ATOM 0 H ILE A 12 -3.130 10.473 2.703 1.00 0.00 H new ATOM 0 HA ILE A 12 -0.789 11.729 3.668 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.414 12.263 1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.028 10.391 1.535 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.697 9.862 1.464 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.305 13.103 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -0.836 14.095 1.508 1.00 0.00 H new ATOM 0 HG23 ILE A 12 0.502 12.938 1.706 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.567 9.486 -0.674 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.872 10.681 -0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.177 11.219 -0.790 1.00 0.00 H new ATOM 193 N ALA A 13 -3.499 13.620 3.391 1.00 0.00 N ATOM 194 CA ALA A 13 -4.224 14.827 3.806 1.00 0.00 C ATOM 195 C ALA A 13 -4.164 15.087 5.326 1.00 0.00 C ATOM 196 O ALA A 13 -3.938 16.221 5.757 1.00 0.00 O ATOM 197 CB ALA A 13 -5.687 14.734 3.332 1.00 0.00 C ATOM 0 H ALA A 13 -4.082 12.970 2.863 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.728 15.677 3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -6.227 15.630 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -5.713 14.650 2.246 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.158 13.857 3.775 1.00 0.00 H new ATOM 203 N GLU A 14 -4.382 14.029 6.119 1.00 0.00 N ATOM 204 CA GLU A 14 -4.388 14.112 7.592 1.00 0.00 C ATOM 205 C GLU A 14 -2.961 14.166 8.184 1.00 0.00 C ATOM 206 O GLU A 14 -2.708 14.930 9.118 1.00 0.00 O ATOM 207 CB GLU A 14 -5.178 12.915 8.190 1.00 0.00 C ATOM 208 CG GLU A 14 -6.690 12.950 7.908 1.00 0.00 C ATOM 209 CD GLU A 14 -7.442 11.755 8.517 1.00 0.00 C ATOM 210 OE1 GLU A 14 -7.723 11.784 9.730 1.00 0.00 O ATOM 211 OE2 GLU A 14 -7.743 10.778 7.793 1.00 0.00 O ATOM 0 H GLU A 14 -4.559 13.091 5.761 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.882 15.045 7.864 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.767 11.988 7.791 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.022 12.894 9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.107 13.875 8.305 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -6.853 12.964 6.830 1.00 0.00 H new ATOM 218 N THR A 15 -2.034 13.374 7.614 1.00 0.00 N ATOM 219 CA THR A 15 -0.698 13.151 8.199 1.00 0.00 C ATOM 220 C THR A 15 0.179 14.412 8.122 1.00 0.00 C ATOM 221 O THR A 15 0.649 14.914 9.148 1.00 0.00 O ATOM 222 CB THR A 15 0.045 11.964 7.505 1.00 0.00 C ATOM 223 OG1 THR A 15 -0.737 10.767 7.608 1.00 0.00 O ATOM 224 CG2 THR A 15 1.415 11.711 8.131 1.00 0.00 C ATOM 0 H THR A 15 -2.188 12.873 6.739 1.00 0.00 H new ATOM 0 HA THR A 15 -0.863 12.902 9.247 1.00 0.00 H new ATOM 0 HB THR A 15 0.185 12.237 6.459 1.00 0.00 H new ATOM 0 HG1 THR A 15 -1.454 10.786 6.940 1.00 0.00 H new ATOM 0 HG21 THR A 15 1.900 10.878 7.621 1.00 0.00 H new ATOM 0 HG22 THR A 15 2.031 12.605 8.033 1.00 0.00 H new ATOM 0 HG23 THR A 15 1.293 11.469 9.187 1.00 0.00 H new ATOM 232 N CYS A 16 0.377 14.926 6.899 1.00 0.00 N ATOM 233 CA CYS A 16 1.295 16.052 6.641 1.00 0.00 C ATOM 234 C CYS A 16 0.524 17.342 6.320 1.00 0.00 C ATOM 235 O CYS A 16 1.124 18.315 5.864 1.00 0.00 O ATOM 236 CB CYS A 16 2.251 15.667 5.490 1.00 0.00 C ATOM 237 SG CYS A 16 3.305 14.249 5.865 1.00 0.00 S ATOM 0 H CYS A 16 -0.091 14.577 6.063 1.00 0.00 H new ATOM 0 HA CYS A 16 1.878 16.252 7.540 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.663 15.446 4.600 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.881 16.524 5.251 1.00 0.00 H new ATOM 0 HG CYS A 16 4.071 13.996 4.846 1.00 0.00 H new ATOM 243 N ASP A 17 -0.796 17.343 6.631 1.00 0.00 N ATOM 244 CA ASP A 17 -1.734 18.446 6.314 1.00 0.00 C ATOM 245 C ASP A 17 -1.621 18.877 4.837 1.00 0.00 C ATOM 246 O ASP A 17 -1.039 19.915 4.502 1.00 0.00 O ATOM 247 CB ASP A 17 -1.569 19.641 7.303 1.00 0.00 C ATOM 248 CG ASP A 17 -2.555 20.798 7.045 1.00 0.00 C ATOM 249 OD1 ASP A 17 -3.784 20.594 7.178 1.00 0.00 O ATOM 250 OD2 ASP A 17 -2.112 21.913 6.691 1.00 0.00 O ATOM 0 H ASP A 17 -1.244 16.566 7.116 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.748 18.070 6.451 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.705 19.279 8.322 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.550 20.021 7.233 1.00 0.00 H new ATOM 255 N ILE A 18 -2.103 17.997 3.951 1.00 0.00 N ATOM 256 CA ILE A 18 -2.139 18.234 2.497 1.00 0.00 C ATOM 257 C ILE A 18 -3.605 18.410 2.073 1.00 0.00 C ATOM 258 O ILE A 18 -4.437 17.608 2.488 1.00 0.00 O ATOM 259 CB ILE A 18 -1.464 17.038 1.709 1.00 0.00 C ATOM 260 CG1 ILE A 18 -0.018 16.773 2.242 1.00 0.00 C ATOM 261 CG2 ILE A 18 -1.460 17.287 0.173 1.00 0.00 C ATOM 262 CD1 ILE A 18 0.926 17.961 2.165 1.00 0.00 C ATOM 0 H ILE A 18 -2.483 17.091 4.223 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.573 19.134 2.258 1.00 0.00 H new ATOM 0 HB ILE A 18 -2.064 16.145 1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.084 16.448 3.280 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.415 15.948 1.677 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.988 16.444 -0.331 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.485 17.394 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.903 18.198 -0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.902 17.676 2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.031 18.276 1.127 1.00 0.00 H new ATOM 0 HD13 ILE A 18 0.524 18.784 2.755 1.00 0.00 H new ATOM 274 N PRO A 19 -3.974 19.481 1.289 1.00 0.00 N ATOM 275 CA PRO A 19 -5.361 19.665 0.817 1.00 0.00 C ATOM 276 C PRO A 19 -5.846 18.429 0.029 1.00 0.00 C ATOM 277 O PRO A 19 -5.234 18.047 -0.975 1.00 0.00 O ATOM 278 CB PRO A 19 -5.298 20.945 -0.059 1.00 0.00 C ATOM 279 CG PRO A 19 -4.078 21.665 0.428 1.00 0.00 C ATOM 280 CD PRO A 19 -3.093 20.581 0.816 1.00 0.00 C ATOM 0 HA PRO A 19 -6.078 19.773 1.631 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -5.219 20.699 -1.118 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -6.194 21.554 0.061 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -3.666 22.309 -0.349 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.313 22.304 1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.480 20.271 -0.030 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.411 20.916 1.598 1.00 0.00 H new ATOM 288 N ARG A 20 -6.901 17.777 0.559 1.00 0.00 N ATOM 289 CA ARG A 20 -7.499 16.548 -0.010 1.00 0.00 C ATOM 290 C ARG A 20 -7.893 16.734 -1.500 1.00 0.00 C ATOM 291 O ARG A 20 -7.759 15.803 -2.307 1.00 0.00 O ATOM 292 CB ARG A 20 -8.732 16.127 0.857 1.00 0.00 C ATOM 293 CG ARG A 20 -9.461 14.841 0.397 1.00 0.00 C ATOM 294 CD ARG A 20 -8.558 13.593 0.400 1.00 0.00 C ATOM 295 NE ARG A 20 -9.242 12.425 -0.188 1.00 0.00 N ATOM 296 CZ ARG A 20 -9.335 12.170 -1.506 1.00 0.00 C ATOM 297 NH1 ARG A 20 -8.815 12.996 -2.408 1.00 0.00 N ATOM 298 NH2 ARG A 20 -9.962 11.089 -1.923 1.00 0.00 N ATOM 0 H ARG A 20 -7.370 18.093 1.408 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.754 15.753 0.015 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.400 15.988 1.886 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.449 16.948 0.862 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.316 14.664 1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.853 14.994 -0.608 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.647 13.802 -0.160 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.258 13.363 1.422 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.677 11.761 0.453 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.334 13.843 -2.106 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.897 12.783 -3.402 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.376 10.447 -1.247 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.033 10.894 -2.922 1.00 0.00 H new ATOM 312 N GLU A 21 -8.321 17.970 -1.848 1.00 0.00 N ATOM 313 CA GLU A 21 -8.712 18.346 -3.223 1.00 0.00 C ATOM 314 C GLU A 21 -7.492 18.341 -4.177 1.00 0.00 C ATOM 315 O GLU A 21 -7.609 17.957 -5.346 1.00 0.00 O ATOM 316 CB GLU A 21 -9.402 19.745 -3.210 1.00 0.00 C ATOM 317 CG GLU A 21 -8.550 20.885 -2.614 1.00 0.00 C ATOM 318 CD GLU A 21 -9.290 22.230 -2.608 1.00 0.00 C ATOM 319 OE1 GLU A 21 -9.302 22.920 -3.651 1.00 0.00 O ATOM 320 OE2 GLU A 21 -9.900 22.585 -1.577 1.00 0.00 O ATOM 0 H GLU A 21 -8.404 18.736 -1.179 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.419 17.605 -3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.673 20.010 -4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.330 19.671 -2.644 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.265 20.626 -1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.628 20.984 -3.187 1.00 0.00 H new ATOM 327 N THR A 22 -6.309 18.731 -3.649 1.00 0.00 N ATOM 328 CA THR A 22 -5.063 18.823 -4.445 1.00 0.00 C ATOM 329 C THR A 22 -4.326 17.466 -4.508 1.00 0.00 C ATOM 330 O THR A 22 -3.211 17.387 -5.022 1.00 0.00 O ATOM 331 CB THR A 22 -4.099 19.934 -3.892 1.00 0.00 C ATOM 332 OG1 THR A 22 -3.633 19.615 -2.569 1.00 0.00 O ATOM 333 CG2 THR A 22 -4.781 21.316 -3.874 1.00 0.00 C ATOM 0 H THR A 22 -6.191 18.988 -2.669 1.00 0.00 H new ATOM 0 HA THR A 22 -5.360 19.101 -5.456 1.00 0.00 H new ATOM 0 HB THR A 22 -3.245 19.971 -4.568 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.282 19.030 -2.126 1.00 0.00 H new ATOM 0 HG21 THR A 22 -4.085 22.060 -3.486 1.00 0.00 H new ATOM 0 HG22 THR A 22 -5.076 21.589 -4.887 1.00 0.00 H new ATOM 0 HG23 THR A 22 -5.664 21.278 -3.236 1.00 0.00 H new ATOM 341 N ILE A 23 -4.951 16.403 -3.965 1.00 0.00 N ATOM 342 CA ILE A 23 -4.428 15.034 -4.029 1.00 0.00 C ATOM 343 C ILE A 23 -5.149 14.311 -5.177 1.00 0.00 C ATOM 344 O ILE A 23 -6.382 14.221 -5.165 1.00 0.00 O ATOM 345 CB ILE A 23 -4.674 14.309 -2.654 1.00 0.00 C ATOM 346 CG1 ILE A 23 -3.880 15.032 -1.515 1.00 0.00 C ATOM 347 CG2 ILE A 23 -4.316 12.813 -2.725 1.00 0.00 C ATOM 348 CD1 ILE A 23 -4.110 14.482 -0.119 1.00 0.00 C ATOM 0 H ILE A 23 -5.838 16.476 -3.468 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.354 15.032 -4.215 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.738 14.367 -2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.815 14.972 -1.741 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.148 16.089 -1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.500 12.349 -1.756 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.931 12.327 -3.483 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.264 12.703 -2.986 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.516 15.049 0.598 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.166 14.568 0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.813 13.434 -0.087 1.00 0.00 H new ATOM 360 N THR A 24 -4.385 13.846 -6.188 1.00 0.00 N ATOM 361 CA THR A 24 -4.946 13.263 -7.434 1.00 0.00 C ATOM 362 C THR A 24 -4.231 11.925 -7.779 1.00 0.00 C ATOM 363 O THR A 24 -3.126 11.678 -7.277 1.00 0.00 O ATOM 364 CB THR A 24 -4.810 14.286 -8.627 1.00 0.00 C ATOM 365 OG1 THR A 24 -3.436 14.572 -8.890 1.00 0.00 O ATOM 366 CG2 THR A 24 -5.555 15.609 -8.349 1.00 0.00 C ATOM 0 H THR A 24 -3.365 13.862 -6.168 1.00 0.00 H new ATOM 0 HA THR A 24 -6.004 13.056 -7.274 1.00 0.00 H new ATOM 0 HB THR A 24 -5.265 13.813 -9.497 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.371 15.207 -9.634 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.432 16.281 -9.198 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.615 15.405 -8.198 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.144 16.077 -7.454 1.00 0.00 H new ATOM 374 N PRO A 25 -4.854 11.017 -8.619 1.00 0.00 N ATOM 375 CA PRO A 25 -4.220 9.734 -9.033 1.00 0.00 C ATOM 376 C PRO A 25 -2.837 9.922 -9.689 1.00 0.00 C ATOM 377 O PRO A 25 -1.893 9.182 -9.393 1.00 0.00 O ATOM 378 CB PRO A 25 -5.238 9.124 -10.037 1.00 0.00 C ATOM 379 CG PRO A 25 -6.549 9.741 -9.661 1.00 0.00 C ATOM 380 CD PRO A 25 -6.225 11.138 -9.191 1.00 0.00 C ATOM 0 HA PRO A 25 -4.021 9.094 -8.173 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -4.969 9.359 -11.067 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -5.273 8.038 -9.957 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.230 9.763 -10.512 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -7.040 9.168 -8.875 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.253 11.852 -10.014 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.940 11.484 -8.444 1.00 0.00 H new ATOM 388 N GLU A 26 -2.711 10.966 -10.525 1.00 0.00 N ATOM 389 CA GLU A 26 -1.527 11.175 -11.375 1.00 0.00 C ATOM 390 C GLU A 26 -0.521 12.131 -10.713 1.00 0.00 C ATOM 391 O GLU A 26 0.505 12.452 -11.319 1.00 0.00 O ATOM 392 CB GLU A 26 -1.967 11.734 -12.749 1.00 0.00 C ATOM 393 CG GLU A 26 -2.874 10.791 -13.555 1.00 0.00 C ATOM 394 CD GLU A 26 -3.335 11.416 -14.879 1.00 0.00 C ATOM 395 OE1 GLU A 26 -2.524 11.473 -15.824 1.00 0.00 O ATOM 396 OE2 GLU A 26 -4.491 11.889 -14.970 1.00 0.00 O ATOM 0 H GLU A 26 -3.425 11.687 -10.631 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.031 10.214 -11.512 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.490 12.677 -12.593 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.078 11.956 -13.339 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.339 9.864 -13.760 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.746 10.530 -12.956 1.00 0.00 H new ATOM 403 N SER A 27 -0.804 12.574 -9.467 1.00 0.00 N ATOM 404 CA SER A 27 0.108 13.485 -8.756 1.00 0.00 C ATOM 405 C SER A 27 1.269 12.683 -8.172 1.00 0.00 C ATOM 406 O SER A 27 1.075 11.593 -7.609 1.00 0.00 O ATOM 407 CB SER A 27 -0.601 14.298 -7.647 1.00 0.00 C ATOM 408 OG SER A 27 -1.229 13.480 -6.695 1.00 0.00 O ATOM 0 H SER A 27 -1.642 12.319 -8.945 1.00 0.00 H new ATOM 0 HA SER A 27 0.481 14.211 -9.479 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.128 14.936 -7.148 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.342 14.955 -8.101 1.00 0.00 H new ATOM 0 HG SER A 27 -1.951 12.974 -7.123 1.00 0.00 H new ATOM 414 N HIS A 28 2.474 13.212 -8.356 1.00 0.00 N ATOM 415 CA HIS A 28 3.702 12.631 -7.832 1.00 0.00 C ATOM 416 C HIS A 28 3.954 13.238 -6.449 1.00 0.00 C ATOM 417 O HIS A 28 3.943 14.461 -6.321 1.00 0.00 O ATOM 418 CB HIS A 28 4.867 12.944 -8.793 1.00 0.00 C ATOM 419 CG HIS A 28 6.118 12.163 -8.524 1.00 0.00 C ATOM 420 ND1 HIS A 28 7.073 12.601 -7.648 1.00 0.00 N ATOM 421 CD2 HIS A 28 6.534 11.010 -9.082 1.00 0.00 C ATOM 422 CE1 HIS A 28 8.044 11.715 -7.701 1.00 0.00 C ATOM 423 NE2 HIS A 28 7.763 10.730 -8.556 1.00 0.00 N ATOM 0 H HIS A 28 2.626 14.072 -8.883 1.00 0.00 H new ATOM 0 HA HIS A 28 3.619 11.548 -7.745 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.542 12.746 -9.815 1.00 0.00 H new ATOM 0 HB3 HIS A 28 5.097 14.008 -8.732 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.997 10.418 -9.809 1.00 0.00 H new ATOM 0 HE1 HIS A 28 8.955 11.777 -7.124 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.351 9.925 -8.774 1.00 0.00 H new ATOM 431 N ALA A 29 4.123 12.384 -5.426 1.00 0.00 N ATOM 432 CA ALA A 29 4.444 12.790 -4.048 1.00 0.00 C ATOM 433 C ALA A 29 5.529 13.879 -3.986 1.00 0.00 C ATOM 434 O ALA A 29 5.354 14.879 -3.300 1.00 0.00 O ATOM 435 CB ALA A 29 4.857 11.557 -3.221 1.00 0.00 C ATOM 0 H ALA A 29 4.039 11.373 -5.536 1.00 0.00 H new ATOM 0 HA ALA A 29 3.543 13.229 -3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.093 11.865 -2.202 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.036 10.840 -3.202 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.734 11.093 -3.672 1.00 0.00 H new ATOM 441 N ILE A 30 6.592 13.743 -4.796 1.00 0.00 N ATOM 442 CA ILE A 30 7.793 14.595 -4.679 1.00 0.00 C ATOM 443 C ILE A 30 7.715 15.776 -5.679 1.00 0.00 C ATOM 444 O ILE A 30 7.986 16.929 -5.326 1.00 0.00 O ATOM 445 CB ILE A 30 9.107 13.760 -4.940 1.00 0.00 C ATOM 446 CG1 ILE A 30 9.099 12.426 -4.124 1.00 0.00 C ATOM 447 CG2 ILE A 30 10.375 14.579 -4.609 1.00 0.00 C ATOM 448 CD1 ILE A 30 10.323 11.546 -4.330 1.00 0.00 C ATOM 0 H ILE A 30 6.646 13.050 -5.542 1.00 0.00 H new ATOM 0 HA ILE A 30 7.828 14.987 -3.663 1.00 0.00 H new ATOM 0 HB ILE A 30 9.127 13.517 -6.002 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.015 12.665 -3.064 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.210 11.857 -4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 30 11.260 13.972 -4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.405 15.472 -5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.356 14.871 -3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 30 10.229 10.644 -3.725 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.400 11.271 -5.382 1.00 0.00 H new ATOM 0 HD13 ILE A 30 11.218 12.092 -4.031 1.00 0.00 H new ATOM 460 N ASP A 31 7.300 15.463 -6.918 1.00 0.00 N ATOM 461 CA ASP A 31 7.356 16.406 -8.063 1.00 0.00 C ATOM 462 C ASP A 31 6.132 17.348 -8.094 1.00 0.00 C ATOM 463 O ASP A 31 6.250 18.514 -8.483 1.00 0.00 O ATOM 464 CB ASP A 31 7.474 15.609 -9.394 1.00 0.00 C ATOM 465 CG ASP A 31 7.545 16.498 -10.655 1.00 0.00 C ATOM 466 OD1 ASP A 31 8.582 17.158 -10.861 1.00 0.00 O ATOM 467 OD2 ASP A 31 6.563 16.544 -11.442 1.00 0.00 O ATOM 0 H ASP A 31 6.915 14.550 -7.161 1.00 0.00 H new ATOM 0 HA ASP A 31 8.238 17.035 -7.941 1.00 0.00 H new ATOM 0 HB2 ASP A 31 8.365 14.983 -9.353 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.618 14.940 -9.482 1.00 0.00 H new ATOM 472 N ASP A 32 4.959 16.832 -7.694 1.00 0.00 N ATOM 473 CA ASP A 32 3.693 17.601 -7.698 1.00 0.00 C ATOM 474 C ASP A 32 3.397 18.147 -6.291 1.00 0.00 C ATOM 475 O ASP A 32 3.323 19.364 -6.093 1.00 0.00 O ATOM 476 CB ASP A 32 2.518 16.715 -8.198 1.00 0.00 C ATOM 477 CG ASP A 32 1.167 17.464 -8.230 1.00 0.00 C ATOM 478 OD1 ASP A 32 0.435 17.462 -7.214 1.00 0.00 O ATOM 479 OD2 ASP A 32 0.839 18.066 -9.273 1.00 0.00 O ATOM 0 H ASP A 32 4.856 15.874 -7.359 1.00 0.00 H new ATOM 0 HA ASP A 32 3.801 18.443 -8.382 1.00 0.00 H new ATOM 0 HB2 ASP A 32 2.747 16.348 -9.198 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.428 15.842 -7.551 1.00 0.00 H new ATOM 484 N LEU A 33 3.220 17.222 -5.330 1.00 0.00 N ATOM 485 CA LEU A 33 2.838 17.551 -3.946 1.00 0.00 C ATOM 486 C LEU A 33 3.988 18.259 -3.185 1.00 0.00 C ATOM 487 O LEU A 33 3.728 19.043 -2.276 1.00 0.00 O ATOM 488 CB LEU A 33 2.409 16.259 -3.195 1.00 0.00 C ATOM 489 CG LEU A 33 1.204 15.455 -3.790 1.00 0.00 C ATOM 490 CD1 LEU A 33 0.958 14.153 -2.989 1.00 0.00 C ATOM 491 CD2 LEU A 33 -0.077 16.323 -3.859 1.00 0.00 C ATOM 0 H LEU A 33 3.339 16.222 -5.493 1.00 0.00 H new ATOM 0 HA LEU A 33 1.997 18.244 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.270 15.593 -3.149 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.161 16.531 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 33 1.463 15.176 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.116 13.613 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.850 13.527 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.735 14.401 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.894 15.734 -4.277 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.345 16.656 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.105 17.191 -4.493 1.00 0.00 H new ATOM 503 N GLY A 34 5.250 18.000 -3.596 1.00 0.00 N ATOM 504 CA GLY A 34 6.428 18.529 -2.882 1.00 0.00 C ATOM 505 C GLY A 34 6.622 17.875 -1.518 1.00 0.00 C ATOM 506 O GLY A 34 6.726 18.555 -0.500 1.00 0.00 O ATOM 0 H GLY A 34 5.475 17.432 -4.413 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.319 18.369 -3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.319 19.606 -2.754 1.00 0.00 H new ATOM 510 N ILE A 35 6.660 16.540 -1.531 1.00 0.00 N ATOM 511 CA ILE A 35 6.769 15.673 -0.344 1.00 0.00 C ATOM 512 C ILE A 35 7.909 14.680 -0.599 1.00 0.00 C ATOM 513 O ILE A 35 7.818 13.880 -1.528 1.00 0.00 O ATOM 514 CB ILE A 35 5.421 14.865 -0.095 1.00 0.00 C ATOM 515 CG1 ILE A 35 4.232 15.832 0.203 1.00 0.00 C ATOM 516 CG2 ILE A 35 5.566 13.799 1.029 1.00 0.00 C ATOM 517 CD1 ILE A 35 2.889 15.139 0.367 1.00 0.00 C ATOM 0 H ILE A 35 6.614 16.008 -2.400 1.00 0.00 H new ATOM 0 HA ILE A 35 6.961 16.286 0.537 1.00 0.00 H new ATOM 0 HB ILE A 35 5.203 14.326 -1.017 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.453 16.391 1.112 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.157 16.557 -0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.618 13.276 1.159 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.341 13.083 0.754 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.841 14.290 1.963 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.119 15.882 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.642 14.603 -0.549 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.942 14.434 1.197 1.00 0.00 H new ATOM 529 N ASP A 36 8.967 14.725 0.215 1.00 0.00 N ATOM 530 CA ASP A 36 10.083 13.758 0.116 1.00 0.00 C ATOM 531 C ASP A 36 9.702 12.485 0.879 1.00 0.00 C ATOM 532 O ASP A 36 8.690 12.480 1.602 1.00 0.00 O ATOM 533 CB ASP A 36 11.382 14.368 0.705 1.00 0.00 C ATOM 534 CG ASP A 36 11.877 15.590 -0.088 1.00 0.00 C ATOM 535 OD1 ASP A 36 12.609 15.414 -1.089 1.00 0.00 O ATOM 536 OD2 ASP A 36 11.540 16.738 0.291 1.00 0.00 O ATOM 0 H ASP A 36 9.082 15.419 0.954 1.00 0.00 H new ATOM 0 HA ASP A 36 10.266 13.519 -0.931 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.205 14.659 1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.163 13.607 0.717 1.00 0.00 H new ATOM 541 N SER A 37 10.513 11.412 0.747 1.00 0.00 N ATOM 542 CA SER A 37 10.298 10.187 1.542 1.00 0.00 C ATOM 543 C SER A 37 10.491 10.483 3.044 1.00 0.00 C ATOM 544 O SER A 37 9.953 9.772 3.879 1.00 0.00 O ATOM 545 CB SER A 37 11.186 9.014 1.057 1.00 0.00 C ATOM 546 OG SER A 37 12.558 9.399 0.942 1.00 0.00 O ATOM 0 H SER A 37 11.308 11.370 0.109 1.00 0.00 H new ATOM 0 HA SER A 37 9.268 9.864 1.393 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.100 8.180 1.754 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.825 8.660 0.091 1.00 0.00 H new ATOM 0 HG SER A 37 13.088 8.634 0.636 1.00 0.00 H new ATOM 551 N LEU A 38 11.250 11.569 3.337 1.00 0.00 N ATOM 552 CA LEU A 38 11.419 12.150 4.691 1.00 0.00 C ATOM 553 C LEU A 38 10.055 12.408 5.368 1.00 0.00 C ATOM 554 O LEU A 38 9.808 11.968 6.499 1.00 0.00 O ATOM 555 CB LEU A 38 12.215 13.486 4.586 1.00 0.00 C ATOM 556 CG LEU A 38 13.703 13.352 4.131 1.00 0.00 C ATOM 557 CD1 LEU A 38 14.310 14.726 3.787 1.00 0.00 C ATOM 558 CD2 LEU A 38 14.546 12.627 5.210 1.00 0.00 C ATOM 0 H LEU A 38 11.772 12.075 2.622 1.00 0.00 H new ATOM 0 HA LEU A 38 11.969 11.435 5.304 1.00 0.00 H new ATOM 0 HB2 LEU A 38 11.698 14.142 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 38 12.194 13.978 5.559 1.00 0.00 H new ATOM 0 HG LEU A 38 13.721 12.748 3.224 1.00 0.00 H new ATOM 0 HD11 LEU A 38 15.346 14.598 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.740 15.183 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.273 15.370 4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 38 15.579 12.545 4.871 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.513 13.195 6.140 1.00 0.00 H new ATOM 0 HD23 LEU A 38 14.140 11.630 5.380 1.00 0.00 H new ATOM 570 N ASP A 39 9.179 13.124 4.642 1.00 0.00 N ATOM 571 CA ASP A 39 7.805 13.456 5.092 1.00 0.00 C ATOM 572 C ASP A 39 6.919 12.210 5.000 1.00 0.00 C ATOM 573 O ASP A 39 6.072 11.950 5.871 1.00 0.00 O ATOM 574 CB ASP A 39 7.195 14.565 4.193 1.00 0.00 C ATOM 575 CG ASP A 39 8.115 15.774 4.010 1.00 0.00 C ATOM 576 OD1 ASP A 39 9.069 15.691 3.197 1.00 0.00 O ATOM 577 OD2 ASP A 39 7.904 16.808 4.673 1.00 0.00 O ATOM 0 H ASP A 39 9.401 13.494 3.718 1.00 0.00 H new ATOM 0 HA ASP A 39 7.854 13.809 6.122 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.963 14.143 3.215 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.253 14.898 4.628 1.00 0.00 H new ATOM 582 N PHE A 40 7.163 11.437 3.926 1.00 0.00 N ATOM 583 CA PHE A 40 6.367 10.265 3.560 1.00 0.00 C ATOM 584 C PHE A 40 6.555 9.119 4.575 1.00 0.00 C ATOM 585 O PHE A 40 5.746 8.199 4.593 1.00 0.00 O ATOM 586 CB PHE A 40 6.708 9.809 2.111 1.00 0.00 C ATOM 587 CG PHE A 40 5.653 8.904 1.479 1.00 0.00 C ATOM 588 CD1 PHE A 40 4.561 9.449 0.808 1.00 0.00 C ATOM 589 CD2 PHE A 40 5.737 7.515 1.581 1.00 0.00 C ATOM 590 CE1 PHE A 40 3.589 8.640 0.267 1.00 0.00 C ATOM 591 CE2 PHE A 40 4.766 6.705 1.033 1.00 0.00 C ATOM 592 CZ PHE A 40 3.694 7.267 0.380 1.00 0.00 C ATOM 0 H PHE A 40 7.933 11.617 3.282 1.00 0.00 H new ATOM 0 HA PHE A 40 5.314 10.545 3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.837 10.692 1.484 1.00 0.00 H new ATOM 0 HB3 PHE A 40 7.663 9.284 2.122 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.476 10.521 0.711 1.00 0.00 H new ATOM 0 HD2 PHE A 40 6.574 7.069 2.096 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.745 9.077 -0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 40 4.847 5.631 1.116 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.931 6.632 -0.046 1.00 0.00 H new ATOM 602 N LEU A 41 7.642 9.170 5.395 1.00 0.00 N ATOM 603 CA LEU A 41 7.854 8.215 6.514 1.00 0.00 C ATOM 604 C LEU A 41 6.591 8.148 7.392 1.00 0.00 C ATOM 605 O LEU A 41 5.981 7.080 7.530 1.00 0.00 O ATOM 606 CB LEU A 41 9.085 8.619 7.380 1.00 0.00 C ATOM 607 CG LEU A 41 10.473 8.608 6.667 1.00 0.00 C ATOM 608 CD1 LEU A 41 11.608 9.035 7.619 1.00 0.00 C ATOM 609 CD2 LEU A 41 10.755 7.237 6.015 1.00 0.00 C ATOM 0 H LEU A 41 8.384 9.864 5.299 1.00 0.00 H new ATOM 0 HA LEU A 41 8.052 7.232 6.087 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.911 9.621 7.773 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.136 7.946 8.236 1.00 0.00 H new ATOM 0 HG LEU A 41 10.437 9.348 5.868 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.558 9.014 7.085 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.418 10.045 7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.652 8.348 8.464 1.00 0.00 H new ATOM 0 HD21 LEU A 41 11.729 7.260 5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.752 6.462 6.782 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.983 7.020 5.276 1.00 0.00 H new ATOM 621 N ASP A 42 6.161 9.337 7.884 1.00 0.00 N ATOM 622 CA ASP A 42 4.953 9.486 8.727 1.00 0.00 C ATOM 623 C ASP A 42 3.708 8.992 7.974 1.00 0.00 C ATOM 624 O ASP A 42 2.873 8.275 8.540 1.00 0.00 O ATOM 625 CB ASP A 42 4.734 10.963 9.160 1.00 0.00 C ATOM 626 CG ASP A 42 5.887 11.543 9.991 1.00 0.00 C ATOM 627 OD1 ASP A 42 6.104 11.076 11.134 1.00 0.00 O ATOM 628 OD2 ASP A 42 6.561 12.487 9.517 1.00 0.00 O ATOM 0 H ASP A 42 6.644 10.218 7.706 1.00 0.00 H new ATOM 0 HA ASP A 42 5.108 8.882 9.621 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.596 11.576 8.269 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.813 11.029 9.738 1.00 0.00 H new ATOM 633 N ILE A 43 3.616 9.367 6.677 1.00 0.00 N ATOM 634 CA ILE A 43 2.489 8.981 5.804 1.00 0.00 C ATOM 635 C ILE A 43 2.387 7.450 5.683 1.00 0.00 C ATOM 636 O ILE A 43 1.285 6.895 5.758 1.00 0.00 O ATOM 637 CB ILE A 43 2.612 9.627 4.368 1.00 0.00 C ATOM 638 CG1 ILE A 43 2.630 11.189 4.459 1.00 0.00 C ATOM 639 CG2 ILE A 43 1.484 9.134 3.421 1.00 0.00 C ATOM 640 CD1 ILE A 43 2.783 11.920 3.129 1.00 0.00 C ATOM 0 H ILE A 43 4.318 9.942 6.211 1.00 0.00 H new ATOM 0 HA ILE A 43 1.580 9.362 6.270 1.00 0.00 H new ATOM 0 HB ILE A 43 3.560 9.302 3.940 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.705 11.519 4.931 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.447 11.488 5.115 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.601 9.600 2.442 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.544 8.051 3.317 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.514 9.405 3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.784 12.996 3.303 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.722 11.628 2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.953 11.659 2.473 1.00 0.00 H new ATOM 652 N ALA A 44 3.554 6.777 5.587 1.00 0.00 N ATOM 653 CA ALA A 44 3.626 5.332 5.348 1.00 0.00 C ATOM 654 C ALA A 44 3.179 4.576 6.609 1.00 0.00 C ATOM 655 O ALA A 44 2.413 3.635 6.511 1.00 0.00 O ATOM 656 CB ALA A 44 5.053 4.926 4.925 1.00 0.00 C ATOM 0 H ALA A 44 4.466 7.225 5.674 1.00 0.00 H new ATOM 0 HA ALA A 44 2.953 5.067 4.532 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.089 3.850 4.752 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.324 5.451 4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 44 5.756 5.190 5.715 1.00 0.00 H new ATOM 662 N PHE A 45 3.605 5.076 7.798 1.00 0.00 N ATOM 663 CA PHE A 45 3.230 4.493 9.113 1.00 0.00 C ATOM 664 C PHE A 45 1.710 4.550 9.325 1.00 0.00 C ATOM 665 O PHE A 45 1.113 3.605 9.848 1.00 0.00 O ATOM 666 CB PHE A 45 3.965 5.208 10.291 1.00 0.00 C ATOM 667 CG PHE A 45 5.409 4.743 10.497 1.00 0.00 C ATOM 668 CD1 PHE A 45 5.674 3.560 11.175 1.00 0.00 C ATOM 669 CD2 PHE A 45 6.487 5.476 10.013 1.00 0.00 C ATOM 670 CE1 PHE A 45 6.969 3.117 11.351 1.00 0.00 C ATOM 671 CE2 PHE A 45 7.781 5.038 10.189 1.00 0.00 C ATOM 672 CZ PHE A 45 8.024 3.858 10.860 1.00 0.00 C ATOM 0 H PHE A 45 4.215 5.890 7.872 1.00 0.00 H new ATOM 0 HA PHE A 45 3.544 3.449 9.104 1.00 0.00 H new ATOM 0 HB2 PHE A 45 3.963 6.283 10.109 1.00 0.00 H new ATOM 0 HB3 PHE A 45 3.405 5.040 11.211 1.00 0.00 H new ATOM 0 HD1 PHE A 45 4.854 2.978 11.570 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.307 6.404 9.491 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.157 2.190 11.873 1.00 0.00 H new ATOM 0 HE2 PHE A 45 8.605 5.619 9.802 1.00 0.00 H new ATOM 0 HZ PHE A 45 9.038 3.515 11.001 1.00 0.00 H new ATOM 682 N ALA A 46 1.099 5.659 8.879 1.00 0.00 N ATOM 683 CA ALA A 46 -0.361 5.862 8.953 1.00 0.00 C ATOM 684 C ALA A 46 -1.105 4.886 8.014 1.00 0.00 C ATOM 685 O ALA A 46 -2.177 4.386 8.359 1.00 0.00 O ATOM 686 CB ALA A 46 -0.709 7.317 8.621 1.00 0.00 C ATOM 0 H ALA A 46 1.600 6.441 8.457 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.688 5.652 9.971 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.789 7.455 8.679 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.220 7.980 9.334 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.366 7.552 7.613 1.00 0.00 H new ATOM 692 N ILE A 47 -0.503 4.621 6.841 1.00 0.00 N ATOM 693 CA ILE A 47 -1.019 3.639 5.860 1.00 0.00 C ATOM 694 C ILE A 47 -0.957 2.207 6.439 1.00 0.00 C ATOM 695 O ILE A 47 -1.908 1.430 6.312 1.00 0.00 O ATOM 696 CB ILE A 47 -0.193 3.712 4.517 1.00 0.00 C ATOM 697 CG1 ILE A 47 -0.412 5.086 3.802 1.00 0.00 C ATOM 698 CG2 ILE A 47 -0.514 2.533 3.570 1.00 0.00 C ATOM 699 CD1 ILE A 47 0.512 5.361 2.621 1.00 0.00 C ATOM 0 H ILE A 47 0.357 5.081 6.542 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.059 3.886 5.648 1.00 0.00 H new ATOM 0 HB ILE A 47 0.861 3.628 4.782 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.444 5.135 3.454 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.284 5.883 4.535 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.078 2.626 2.659 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.273 1.592 4.065 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -1.574 2.548 3.317 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.279 6.337 2.196 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.548 5.351 2.960 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.371 4.592 1.862 1.00 0.00 H new ATOM 711 N ASP A 48 0.181 1.899 7.076 1.00 0.00 N ATOM 712 CA ASP A 48 0.484 0.568 7.636 1.00 0.00 C ATOM 713 C ASP A 48 -0.527 0.173 8.708 1.00 0.00 C ATOM 714 O ASP A 48 -1.034 -0.949 8.716 1.00 0.00 O ATOM 715 CB ASP A 48 1.924 0.537 8.225 1.00 0.00 C ATOM 716 CG ASP A 48 3.020 0.808 7.186 1.00 0.00 C ATOM 717 OD1 ASP A 48 2.832 0.441 6.018 1.00 0.00 O ATOM 718 OD2 ASP A 48 4.078 1.385 7.540 1.00 0.00 O ATOM 0 H ASP A 48 0.931 2.576 7.221 1.00 0.00 H new ATOM 0 HA ASP A 48 0.418 -0.155 6.823 1.00 0.00 H new ATOM 0 HB2 ASP A 48 1.998 1.279 9.020 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.100 -0.437 8.680 1.00 0.00 H new ATOM 723 N LYS A 49 -0.813 1.123 9.600 1.00 0.00 N ATOM 724 CA LYS A 49 -1.768 0.927 10.694 1.00 0.00 C ATOM 725 C LYS A 49 -3.213 0.847 10.151 1.00 0.00 C ATOM 726 O LYS A 49 -3.983 -0.014 10.578 1.00 0.00 O ATOM 727 CB LYS A 49 -1.622 2.070 11.733 1.00 0.00 C ATOM 728 CG LYS A 49 -0.211 2.172 12.360 1.00 0.00 C ATOM 729 CD LYS A 49 -0.067 3.319 13.388 1.00 0.00 C ATOM 730 CE LYS A 49 -0.926 3.085 14.639 1.00 0.00 C ATOM 731 NZ LYS A 49 -0.865 4.220 15.582 1.00 0.00 N ATOM 0 H LYS A 49 -0.389 2.051 9.585 1.00 0.00 H new ATOM 0 HA LYS A 49 -1.550 -0.019 11.189 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -1.864 3.018 11.252 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -2.352 1.920 12.528 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.029 1.227 12.848 1.00 0.00 H new ATOM 0 HG3 LYS A 49 0.521 2.315 11.565 1.00 0.00 H new ATOM 0 HD2 LYS A 49 0.979 3.415 13.680 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -0.355 4.261 12.922 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -1.961 2.919 14.340 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.590 2.179 15.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.460 4.016 16.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.118 4.364 15.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.210 5.081 15.112 1.00 0.00 H new ATOM 745 N ALA A 50 -3.549 1.742 9.191 1.00 0.00 N ATOM 746 CA ALA A 50 -4.903 1.829 8.573 1.00 0.00 C ATOM 747 C ALA A 50 -5.322 0.523 7.875 1.00 0.00 C ATOM 748 O ALA A 50 -6.409 -0.014 8.124 1.00 0.00 O ATOM 749 CB ALA A 50 -4.949 2.991 7.565 1.00 0.00 C ATOM 0 H ALA A 50 -2.891 2.427 8.820 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.610 2.006 9.383 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.942 3.047 7.119 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.729 3.927 8.078 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.209 2.824 6.783 1.00 0.00 H new ATOM 755 N PHE A 51 -4.448 0.038 6.990 1.00 0.00 N ATOM 756 CA PHE A 51 -4.694 -1.162 6.172 1.00 0.00 C ATOM 757 C PHE A 51 -4.195 -2.443 6.866 1.00 0.00 C ATOM 758 O PHE A 51 -4.341 -3.539 6.304 1.00 0.00 O ATOM 759 CB PHE A 51 -4.023 -0.991 4.790 1.00 0.00 C ATOM 760 CG PHE A 51 -4.633 0.108 3.924 1.00 0.00 C ATOM 761 CD1 PHE A 51 -4.193 1.427 4.012 1.00 0.00 C ATOM 762 CD2 PHE A 51 -5.651 -0.184 3.020 1.00 0.00 C ATOM 763 CE1 PHE A 51 -4.741 2.408 3.215 1.00 0.00 C ATOM 764 CE2 PHE A 51 -6.193 0.796 2.225 1.00 0.00 C ATOM 765 CZ PHE A 51 -5.740 2.091 2.323 1.00 0.00 C ATOM 0 H PHE A 51 -3.540 0.468 6.816 1.00 0.00 H new ATOM 0 HA PHE A 51 -5.771 -1.271 6.042 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.965 -0.775 4.938 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.083 -1.937 4.251 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -3.413 1.683 4.713 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.020 -1.196 2.943 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -4.387 3.425 3.290 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -6.975 0.550 1.522 1.00 0.00 H new ATOM 0 HZ PHE A 51 -6.169 2.861 1.699 1.00 0.00 H new ATOM 775 N GLY A 52 -3.607 -2.299 8.074 1.00 0.00 N ATOM 776 CA GLY A 52 -3.118 -3.438 8.867 1.00 0.00 C ATOM 777 C GLY A 52 -1.978 -4.210 8.196 1.00 0.00 C ATOM 778 O GLY A 52 -1.844 -5.422 8.395 1.00 0.00 O ATOM 0 H GLY A 52 -3.461 -1.394 8.521 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.778 -3.075 9.837 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.946 -4.121 9.055 1.00 0.00 H new ATOM 782 N ILE A 53 -1.179 -3.506 7.374 1.00 0.00 N ATOM 783 CA ILE A 53 -0.072 -4.090 6.582 1.00 0.00 C ATOM 784 C ILE A 53 1.248 -3.384 6.940 1.00 0.00 C ATOM 785 O ILE A 53 1.312 -2.660 7.937 1.00 0.00 O ATOM 786 CB ILE A 53 -0.396 -4.026 5.017 1.00 0.00 C ATOM 787 CG1 ILE A 53 -0.867 -2.589 4.538 1.00 0.00 C ATOM 788 CG2 ILE A 53 -1.450 -5.099 4.639 1.00 0.00 C ATOM 789 CD1 ILE A 53 0.228 -1.556 4.306 1.00 0.00 C ATOM 0 H ILE A 53 -1.283 -2.501 7.237 1.00 0.00 H new ATOM 0 HA ILE A 53 0.037 -5.145 6.832 1.00 0.00 H new ATOM 0 HB ILE A 53 0.538 -4.236 4.495 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.428 -2.706 3.611 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.559 -2.192 5.281 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.660 -5.043 3.571 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.064 -6.089 4.881 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.368 -4.920 5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.220 -0.617 3.982 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.778 -1.395 5.233 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.911 -1.916 3.537 1.00 0.00 H new ATOM 801 N LYS A 54 2.308 -3.657 6.169 1.00 0.00 N ATOM 802 CA LYS A 54 3.577 -2.921 6.261 1.00 0.00 C ATOM 803 C LYS A 54 4.157 -2.715 4.847 1.00 0.00 C ATOM 804 O LYS A 54 4.350 -3.689 4.106 1.00 0.00 O ATOM 805 CB LYS A 54 4.588 -3.656 7.191 1.00 0.00 C ATOM 806 CG LYS A 54 5.949 -2.928 7.335 1.00 0.00 C ATOM 807 CD LYS A 54 5.799 -1.479 7.866 1.00 0.00 C ATOM 808 CE LYS A 54 7.084 -0.642 7.747 1.00 0.00 C ATOM 809 NZ LYS A 54 6.866 0.753 8.208 1.00 0.00 N ATOM 0 H LYS A 54 2.311 -4.394 5.464 1.00 0.00 H new ATOM 0 HA LYS A 54 3.389 -1.944 6.706 1.00 0.00 H new ATOM 0 HB2 LYS A 54 4.142 -3.771 8.179 1.00 0.00 H new ATOM 0 HB3 LYS A 54 4.762 -4.659 6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.589 -3.494 8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.449 -2.906 6.367 1.00 0.00 H new ATOM 0 HD2 LYS A 54 4.999 -0.981 7.318 1.00 0.00 H new ATOM 0 HD3 LYS A 54 5.494 -1.514 8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.876 -1.102 8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 54 7.422 -0.636 6.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.533 1.387 7.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 5.892 1.043 7.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.020 0.807 9.235 1.00 0.00 H new ATOM 823 N LEU A 55 4.416 -1.445 4.482 1.00 0.00 N ATOM 824 CA LEU A 55 5.034 -1.071 3.206 1.00 0.00 C ATOM 825 C LEU A 55 6.551 -1.321 3.284 1.00 0.00 C ATOM 826 O LEU A 55 7.177 -0.946 4.287 1.00 0.00 O ATOM 827 CB LEU A 55 4.774 0.437 2.880 1.00 0.00 C ATOM 828 CG LEU A 55 3.279 0.900 2.797 1.00 0.00 C ATOM 829 CD1 LEU A 55 3.162 2.392 2.395 1.00 0.00 C ATOM 830 CD2 LEU A 55 2.457 -0.009 1.859 1.00 0.00 C ATOM 0 H LEU A 55 4.198 -0.644 5.075 1.00 0.00 H new ATOM 0 HA LEU A 55 4.593 -1.677 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.273 1.039 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.253 0.665 1.928 1.00 0.00 H new ATOM 0 HG LEU A 55 2.855 0.804 3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.110 2.675 2.348 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.671 3.009 3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.622 2.543 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.425 0.341 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.884 0.022 0.856 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.481 -1.033 2.232 1.00 0.00 H new ATOM 842 N PRO A 56 7.169 -1.982 2.258 1.00 0.00 N ATOM 843 CA PRO A 56 8.639 -2.023 2.107 1.00 0.00 C ATOM 844 C PRO A 56 9.166 -0.685 1.534 1.00 0.00 C ATOM 845 O PRO A 56 9.720 -0.628 0.433 1.00 0.00 O ATOM 846 CB PRO A 56 8.850 -3.223 1.154 1.00 0.00 C ATOM 847 CG PRO A 56 7.618 -3.239 0.301 1.00 0.00 C ATOM 848 CD PRO A 56 6.488 -2.772 1.196 1.00 0.00 C ATOM 0 HA PRO A 56 9.186 -2.146 3.042 1.00 0.00 H new ATOM 0 HB2 PRO A 56 9.750 -3.099 0.551 1.00 0.00 H new ATOM 0 HB3 PRO A 56 8.963 -4.155 1.707 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.731 -2.581 -0.561 1.00 0.00 H new ATOM 0 HG3 PRO A 56 7.423 -4.240 -0.085 1.00 0.00 H new ATOM 0 HD2 PRO A 56 5.769 -2.164 0.646 1.00 0.00 H new ATOM 0 HD3 PRO A 56 5.938 -3.614 1.616 1.00 0.00 H new ATOM 856 N LEU A 57 8.986 0.383 2.335 1.00 0.00 N ATOM 857 CA LEU A 57 9.282 1.778 1.969 1.00 0.00 C ATOM 858 C LEU A 57 10.791 1.957 1.723 1.00 0.00 C ATOM 859 O LEU A 57 11.190 2.597 0.747 1.00 0.00 O ATOM 860 CB LEU A 57 8.754 2.718 3.118 1.00 0.00 C ATOM 861 CG LEU A 57 8.533 4.244 2.805 1.00 0.00 C ATOM 862 CD1 LEU A 57 9.845 5.048 2.693 1.00 0.00 C ATOM 863 CD2 LEU A 57 7.657 4.415 1.552 1.00 0.00 C ATOM 0 H LEU A 57 8.619 0.294 3.283 1.00 0.00 H new ATOM 0 HA LEU A 57 8.778 2.044 1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 57 7.805 2.312 3.467 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.455 2.649 3.949 1.00 0.00 H new ATOM 0 HG LEU A 57 8.008 4.665 3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.615 6.091 2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.392 4.985 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.456 4.637 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.514 5.477 1.350 1.00 0.00 H new ATOM 0 HD22 LEU A 57 8.147 3.946 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.688 3.944 1.718 1.00 0.00 H new ATOM 875 N GLU A 58 11.606 1.354 2.611 1.00 0.00 N ATOM 876 CA GLU A 58 13.081 1.427 2.554 1.00 0.00 C ATOM 877 C GLU A 58 13.602 0.790 1.255 1.00 0.00 C ATOM 878 O GLU A 58 14.519 1.320 0.614 1.00 0.00 O ATOM 879 CB GLU A 58 13.695 0.705 3.780 1.00 0.00 C ATOM 880 CG GLU A 58 13.153 1.177 5.144 1.00 0.00 C ATOM 881 CD GLU A 58 13.680 0.338 6.318 1.00 0.00 C ATOM 882 OE1 GLU A 58 13.269 -0.838 6.440 1.00 0.00 O ATOM 883 OE2 GLU A 58 14.520 0.832 7.100 1.00 0.00 O ATOM 0 H GLU A 58 11.258 0.799 3.393 1.00 0.00 H new ATOM 0 HA GLU A 58 13.378 2.476 2.571 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.513 -0.365 3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.776 0.847 3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 58 13.428 2.221 5.297 1.00 0.00 H new ATOM 0 HG3 GLU A 58 12.064 1.133 5.132 1.00 0.00 H new ATOM 890 N LYS A 59 12.961 -0.334 0.868 1.00 0.00 N ATOM 891 CA LYS A 59 13.302 -1.059 -0.367 1.00 0.00 C ATOM 892 C LYS A 59 13.008 -0.167 -1.583 1.00 0.00 C ATOM 893 O LYS A 59 13.881 0.039 -2.419 1.00 0.00 O ATOM 894 CB LYS A 59 12.505 -2.388 -0.474 1.00 0.00 C ATOM 895 CG LYS A 59 12.857 -3.248 -1.714 1.00 0.00 C ATOM 896 CD LYS A 59 12.030 -4.559 -1.805 1.00 0.00 C ATOM 897 CE LYS A 59 10.526 -4.320 -2.025 1.00 0.00 C ATOM 898 NZ LYS A 59 10.246 -3.609 -3.294 1.00 0.00 N ATOM 0 H LYS A 59 12.201 -0.758 1.399 1.00 0.00 H new ATOM 0 HA LYS A 59 14.363 -1.306 -0.343 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.684 -2.978 0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.440 -2.158 -0.497 1.00 0.00 H new ATOM 0 HG2 LYS A 59 12.691 -2.658 -2.616 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.918 -3.497 -1.686 1.00 0.00 H new ATOM 0 HD2 LYS A 59 12.417 -5.168 -2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 59 12.169 -5.132 -0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.005 -5.278 -2.026 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.127 -3.741 -1.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.230 -3.397 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 10.787 -2.721 -3.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 10.524 -4.209 -4.097 1.00 0.00 H new ATOM 912 N TRP A 60 11.780 0.407 -1.609 1.00 0.00 N ATOM 913 CA TRP A 60 11.305 1.300 -2.693 1.00 0.00 C ATOM 914 C TRP A 60 12.248 2.495 -2.884 1.00 0.00 C ATOM 915 O TRP A 60 12.577 2.857 -4.016 1.00 0.00 O ATOM 916 CB TRP A 60 9.877 1.822 -2.386 1.00 0.00 C ATOM 917 CG TRP A 60 8.792 0.771 -2.395 1.00 0.00 C ATOM 918 CD1 TRP A 60 8.819 -0.464 -2.986 1.00 0.00 C ATOM 919 CD2 TRP A 60 7.499 0.897 -1.807 1.00 0.00 C ATOM 920 NE1 TRP A 60 7.626 -1.100 -2.799 1.00 0.00 N ATOM 921 CE2 TRP A 60 6.800 -0.291 -2.075 1.00 0.00 C ATOM 922 CE3 TRP A 60 6.865 1.905 -1.070 1.00 0.00 C ATOM 923 CZ2 TRP A 60 5.494 -0.498 -1.648 1.00 0.00 C ATOM 924 CZ3 TRP A 60 5.568 1.698 -0.645 1.00 0.00 C ATOM 925 CH2 TRP A 60 4.898 0.500 -0.930 1.00 0.00 C ATOM 0 H TRP A 60 11.088 0.262 -0.874 1.00 0.00 H new ATOM 0 HA TRP A 60 11.289 0.714 -3.612 1.00 0.00 H new ATOM 0 HB2 TRP A 60 9.886 2.304 -1.408 1.00 0.00 H new ATOM 0 HB3 TRP A 60 9.623 2.590 -3.117 1.00 0.00 H new ATOM 0 HD1 TRP A 60 9.662 -0.875 -3.522 1.00 0.00 H new ATOM 0 HE1 TRP A 60 7.390 -2.030 -3.145 1.00 0.00 H new ATOM 0 HE3 TRP A 60 7.380 2.826 -0.839 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.969 -1.414 -1.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 5.062 2.470 -0.085 1.00 0.00 H new ATOM 0 HH2 TRP A 60 3.888 0.363 -0.574 1.00 0.00 H new ATOM 936 N THR A 61 12.683 3.069 -1.749 1.00 0.00 N ATOM 937 CA THR A 61 13.592 4.220 -1.714 1.00 0.00 C ATOM 938 C THR A 61 14.935 3.878 -2.383 1.00 0.00 C ATOM 939 O THR A 61 15.444 4.660 -3.185 1.00 0.00 O ATOM 940 CB THR A 61 13.839 4.692 -0.242 1.00 0.00 C ATOM 941 OG1 THR A 61 12.584 5.006 0.387 1.00 0.00 O ATOM 942 CG2 THR A 61 14.776 5.916 -0.156 1.00 0.00 C ATOM 0 H THR A 61 12.409 2.741 -0.823 1.00 0.00 H new ATOM 0 HA THR A 61 13.119 5.031 -2.268 1.00 0.00 H new ATOM 0 HB THR A 61 14.330 3.869 0.277 1.00 0.00 H new ATOM 0 HG1 THR A 61 12.072 4.182 0.525 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.911 6.198 0.888 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.743 5.665 -0.592 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.337 6.750 -0.704 1.00 0.00 H new ATOM 950 N GLN A 62 15.462 2.676 -2.092 1.00 0.00 N ATOM 951 CA GLN A 62 16.776 2.231 -2.585 1.00 0.00 C ATOM 952 C GLN A 62 16.715 1.842 -4.067 1.00 0.00 C ATOM 953 O GLN A 62 17.691 2.025 -4.785 1.00 0.00 O ATOM 954 CB GLN A 62 17.297 1.045 -1.730 1.00 0.00 C ATOM 955 CG GLN A 62 17.688 1.404 -0.286 1.00 0.00 C ATOM 956 CD GLN A 62 18.938 2.296 -0.161 1.00 0.00 C ATOM 957 OE1 GLN A 62 19.269 3.090 -1.040 1.00 0.00 O ATOM 958 NE2 GLN A 62 19.658 2.147 0.933 1.00 0.00 N ATOM 0 H GLN A 62 14.989 1.986 -1.508 1.00 0.00 H new ATOM 0 HA GLN A 62 17.471 3.065 -2.491 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.528 0.273 -1.701 1.00 0.00 H new ATOM 0 HB3 GLN A 62 18.164 0.612 -2.228 1.00 0.00 H new ATOM 0 HG2 GLN A 62 16.848 1.911 0.188 1.00 0.00 H new ATOM 0 HG3 GLN A 62 17.859 0.482 0.270 1.00 0.00 H new ATOM 0 HE21 GLN A 62 19.365 1.483 1.650 1.00 0.00 H new ATOM 0 HE22 GLN A 62 20.508 2.696 1.063 1.00 0.00 H new ATOM 967 N GLU A 63 15.566 1.295 -4.500 1.00 0.00 N ATOM 968 CA GLU A 63 15.308 0.946 -5.916 1.00 0.00 C ATOM 969 C GLU A 63 15.286 2.218 -6.788 1.00 0.00 C ATOM 970 O GLU A 63 15.814 2.231 -7.904 1.00 0.00 O ATOM 971 CB GLU A 63 13.966 0.169 -6.051 1.00 0.00 C ATOM 972 CG GLU A 63 13.954 -1.204 -5.349 1.00 0.00 C ATOM 973 CD GLU A 63 12.578 -1.890 -5.378 1.00 0.00 C ATOM 974 OE1 GLU A 63 11.709 -1.555 -4.544 1.00 0.00 O ATOM 975 OE2 GLU A 63 12.341 -2.753 -6.253 1.00 0.00 O ATOM 0 H GLU A 63 14.785 1.080 -3.880 1.00 0.00 H new ATOM 0 HA GLU A 63 16.115 0.301 -6.265 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.163 0.781 -5.641 1.00 0.00 H new ATOM 0 HB3 GLU A 63 13.748 0.025 -7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 63 14.687 -1.855 -5.826 1.00 0.00 H new ATOM 0 HG3 GLU A 63 14.267 -1.077 -4.313 1.00 0.00 H new ATOM 982 N VAL A 64 14.682 3.281 -6.246 1.00 0.00 N ATOM 983 CA VAL A 64 14.662 4.613 -6.874 1.00 0.00 C ATOM 984 C VAL A 64 16.097 5.190 -6.973 1.00 0.00 C ATOM 985 O VAL A 64 16.531 5.616 -8.054 1.00 0.00 O ATOM 986 CB VAL A 64 13.701 5.581 -6.085 1.00 0.00 C ATOM 987 CG1 VAL A 64 13.874 7.056 -6.512 1.00 0.00 C ATOM 988 CG2 VAL A 64 12.221 5.135 -6.249 1.00 0.00 C ATOM 0 H VAL A 64 14.189 3.244 -5.354 1.00 0.00 H new ATOM 0 HA VAL A 64 14.275 4.516 -7.888 1.00 0.00 H new ATOM 0 HB VAL A 64 13.976 5.517 -5.032 1.00 0.00 H new ATOM 0 HG11 VAL A 64 13.190 7.683 -5.940 1.00 0.00 H new ATOM 0 HG12 VAL A 64 14.900 7.372 -6.323 1.00 0.00 H new ATOM 0 HG13 VAL A 64 13.654 7.155 -7.575 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.573 5.816 -5.697 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.951 5.152 -7.305 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.100 4.124 -5.860 1.00 0.00 H new ATOM 998 N ASN A 65 16.820 5.177 -5.831 1.00 0.00 N ATOM 999 CA ASN A 65 18.225 5.647 -5.733 1.00 0.00 C ATOM 1000 C ASN A 65 19.161 4.891 -6.702 1.00 0.00 C ATOM 1001 O ASN A 65 20.053 5.488 -7.310 1.00 0.00 O ATOM 1002 CB ASN A 65 18.772 5.489 -4.281 1.00 0.00 C ATOM 1003 CG ASN A 65 18.007 6.263 -3.210 1.00 0.00 C ATOM 1004 OD1 ASN A 65 17.420 7.312 -3.472 1.00 0.00 O ATOM 1005 ND2 ASN A 65 18.011 5.745 -1.985 1.00 0.00 N ATOM 0 H ASN A 65 16.445 4.839 -4.945 1.00 0.00 H new ATOM 0 HA ASN A 65 18.213 6.701 -6.009 1.00 0.00 H new ATOM 0 HB2 ASN A 65 18.761 4.431 -4.019 1.00 0.00 H new ATOM 0 HB3 ASN A 65 19.813 5.811 -4.265 1.00 0.00 H new ATOM 0 HD21 ASN A 65 17.517 6.219 -1.229 1.00 0.00 H new ATOM 0 HD22 ASN A 65 18.508 4.873 -1.802 1.00 0.00 H new ATOM 1012 N ASP A 66 18.944 3.575 -6.834 1.00 0.00 N ATOM 1013 CA ASP A 66 19.822 2.681 -7.626 1.00 0.00 C ATOM 1014 C ASP A 66 19.420 2.671 -9.117 1.00 0.00 C ATOM 1015 O ASP A 66 20.137 2.117 -9.958 1.00 0.00 O ATOM 1016 CB ASP A 66 19.759 1.250 -7.028 1.00 0.00 C ATOM 1017 CG ASP A 66 20.839 0.290 -7.561 1.00 0.00 C ATOM 1018 OD1 ASP A 66 21.988 0.333 -7.070 1.00 0.00 O ATOM 1019 OD2 ASP A 66 20.545 -0.524 -8.460 1.00 0.00 O ATOM 0 H ASP A 66 18.157 3.094 -6.398 1.00 0.00 H new ATOM 0 HA ASP A 66 20.845 3.054 -7.573 1.00 0.00 H new ATOM 0 HB2 ASP A 66 19.853 1.318 -5.944 1.00 0.00 H new ATOM 0 HB3 ASP A 66 18.777 0.825 -7.237 1.00 0.00 H new ATOM 1024 N GLY A 67 18.295 3.340 -9.443 1.00 0.00 N ATOM 1025 CA GLY A 67 17.737 3.327 -10.798 1.00 0.00 C ATOM 1026 C GLY A 67 16.998 2.039 -11.188 1.00 0.00 C ATOM 1027 O GLY A 67 16.579 1.908 -12.345 1.00 0.00 O ATOM 0 H GLY A 67 17.758 3.897 -8.778 1.00 0.00 H new ATOM 0 HA2 GLY A 67 17.049 4.166 -10.898 1.00 0.00 H new ATOM 0 HA3 GLY A 67 18.547 3.492 -11.509 1.00 0.00 H new ATOM 1031 N LYS A 68 16.820 1.097 -10.227 1.00 0.00 N ATOM 1032 CA LYS A 68 16.029 -0.149 -10.449 1.00 0.00 C ATOM 1033 C LYS A 68 14.572 0.177 -10.813 1.00 0.00 C ATOM 1034 O LYS A 68 13.890 -0.620 -11.463 1.00 0.00 O ATOM 1035 CB LYS A 68 16.068 -1.068 -9.202 1.00 0.00 C ATOM 1036 CG LYS A 68 17.433 -1.732 -8.941 1.00 0.00 C ATOM 1037 CD LYS A 68 17.880 -2.656 -10.099 1.00 0.00 C ATOM 1038 CE LYS A 68 19.234 -3.331 -9.834 1.00 0.00 C ATOM 1039 NZ LYS A 68 19.663 -4.161 -10.980 1.00 0.00 N ATOM 0 H LYS A 68 17.213 1.173 -9.289 1.00 0.00 H new ATOM 0 HA LYS A 68 16.487 -0.678 -11.285 1.00 0.00 H new ATOM 0 HB2 LYS A 68 15.789 -0.482 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 68 15.315 -1.848 -9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.185 -0.958 -8.788 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.380 -2.311 -8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 68 17.122 -3.423 -10.259 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.943 -2.074 -11.018 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.988 -2.569 -9.634 1.00 0.00 H new ATOM 0 HE3 LYS A 68 19.163 -3.952 -8.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 20.581 -4.601 -10.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 18.956 -4.903 -11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 19.755 -3.564 -11.826 1.00 0.00 H new ATOM 1053 N ALA A 69 14.120 1.354 -10.372 1.00 0.00 N ATOM 1054 CA ALA A 69 12.832 1.927 -10.750 1.00 0.00 C ATOM 1055 C ALA A 69 12.933 3.458 -10.722 1.00 0.00 C ATOM 1056 O ALA A 69 13.782 4.029 -10.019 1.00 0.00 O ATOM 1057 CB ALA A 69 11.714 1.431 -9.820 1.00 0.00 C ATOM 0 H ALA A 69 14.651 1.943 -9.731 1.00 0.00 H new ATOM 0 HA ALA A 69 12.579 1.604 -11.760 1.00 0.00 H new ATOM 0 HB1 ALA A 69 10.765 1.873 -10.124 1.00 0.00 H new ATOM 0 HB2 ALA A 69 11.645 0.345 -9.882 1.00 0.00 H new ATOM 0 HB3 ALA A 69 11.938 1.723 -8.794 1.00 0.00 H new ATOM 1063 N THR A 70 12.064 4.095 -11.509 1.00 0.00 N ATOM 1064 CA THR A 70 11.908 5.548 -11.549 1.00 0.00 C ATOM 1065 C THR A 70 11.171 6.009 -10.274 1.00 0.00 C ATOM 1066 O THR A 70 10.418 5.215 -9.675 1.00 0.00 O ATOM 1067 CB THR A 70 11.120 5.973 -12.843 1.00 0.00 C ATOM 1068 OG1 THR A 70 11.775 5.435 -14.010 1.00 0.00 O ATOM 1069 CG2 THR A 70 11.003 7.507 -13.004 1.00 0.00 C ATOM 0 H THR A 70 11.438 3.605 -12.148 1.00 0.00 H new ATOM 0 HA THR A 70 12.887 6.026 -11.584 1.00 0.00 H new ATOM 0 HB THR A 70 10.111 5.573 -12.739 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.281 5.700 -14.814 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.449 7.736 -13.915 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.477 7.924 -12.145 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.000 7.943 -13.066 1.00 0.00 H new ATOM 1077 N THR A 71 11.408 7.276 -9.865 1.00 0.00 N ATOM 1078 CA THR A 71 10.703 7.909 -8.734 1.00 0.00 C ATOM 1079 C THR A 71 9.173 7.713 -8.872 1.00 0.00 C ATOM 1080 O THR A 71 8.531 7.225 -7.957 1.00 0.00 O ATOM 1081 CB THR A 71 11.019 9.439 -8.654 1.00 0.00 C ATOM 1082 OG1 THR A 71 10.574 10.083 -9.855 1.00 0.00 O ATOM 1083 CG2 THR A 71 12.513 9.727 -8.465 1.00 0.00 C ATOM 0 H THR A 71 12.093 7.886 -10.311 1.00 0.00 H new ATOM 0 HA THR A 71 11.053 7.429 -7.820 1.00 0.00 H new ATOM 0 HB THR A 71 10.493 9.827 -7.782 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.770 11.042 -9.804 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.673 10.804 -8.416 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.858 9.267 -7.539 1.00 0.00 H new ATOM 0 HG23 THR A 71 13.072 9.315 -9.305 1.00 0.00 H new ATOM 1091 N GLU A 72 8.647 8.053 -10.071 1.00 0.00 N ATOM 1092 CA GLU A 72 7.225 7.877 -10.463 1.00 0.00 C ATOM 1093 C GLU A 72 6.649 6.492 -10.112 1.00 0.00 C ATOM 1094 O GLU A 72 5.560 6.395 -9.526 1.00 0.00 O ATOM 1095 CB GLU A 72 7.075 8.129 -11.984 1.00 0.00 C ATOM 1096 CG GLU A 72 7.531 9.528 -12.449 1.00 0.00 C ATOM 1097 CD GLU A 72 7.430 9.702 -13.972 1.00 0.00 C ATOM 1098 OE1 GLU A 72 8.227 9.067 -14.695 1.00 0.00 O ATOM 1099 OE2 GLU A 72 6.547 10.439 -14.460 1.00 0.00 O ATOM 0 H GLU A 72 9.211 8.468 -10.813 1.00 0.00 H new ATOM 0 HA GLU A 72 6.653 8.604 -9.886 1.00 0.00 H new ATOM 0 HB2 GLU A 72 7.650 7.376 -12.523 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.030 7.991 -12.261 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.922 10.287 -11.958 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.561 9.694 -12.135 1.00 0.00 H new ATOM 1106 N GLN A 73 7.408 5.441 -10.442 1.00 0.00 N ATOM 1107 CA GLN A 73 6.973 4.050 -10.233 1.00 0.00 C ATOM 1108 C GLN A 73 6.655 3.762 -8.749 1.00 0.00 C ATOM 1109 O GLN A 73 5.757 2.964 -8.446 1.00 0.00 O ATOM 1110 CB GLN A 73 8.034 3.060 -10.773 1.00 0.00 C ATOM 1111 CG GLN A 73 8.243 3.139 -12.301 1.00 0.00 C ATOM 1112 CD GLN A 73 9.156 2.043 -12.854 1.00 0.00 C ATOM 1113 OE1 GLN A 73 10.360 2.219 -12.976 1.00 0.00 O ATOM 1114 NE2 GLN A 73 8.582 0.898 -13.184 1.00 0.00 N ATOM 0 H GLN A 73 8.335 5.526 -10.859 1.00 0.00 H new ATOM 0 HA GLN A 73 6.049 3.908 -10.793 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.984 3.254 -10.276 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.737 2.045 -10.509 1.00 0.00 H new ATOM 0 HG2 GLN A 73 7.274 3.076 -12.795 1.00 0.00 H new ATOM 0 HG3 GLN A 73 8.665 4.112 -12.551 1.00 0.00 H new ATOM 0 HE21 GLN A 73 7.575 0.781 -13.071 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.146 0.132 -13.552 1.00 0.00 H new ATOM 1123 N TYR A 74 7.365 4.447 -7.823 1.00 0.00 N ATOM 1124 CA TYR A 74 7.135 4.296 -6.369 1.00 0.00 C ATOM 1125 C TYR A 74 6.677 5.600 -5.671 1.00 0.00 C ATOM 1126 O TYR A 74 6.582 5.611 -4.431 1.00 0.00 O ATOM 1127 CB TYR A 74 8.393 3.710 -5.668 1.00 0.00 C ATOM 1128 CG TYR A 74 8.733 2.269 -6.087 1.00 0.00 C ATOM 1129 CD1 TYR A 74 7.742 1.276 -6.143 1.00 0.00 C ATOM 1130 CD2 TYR A 74 10.034 1.899 -6.431 1.00 0.00 C ATOM 1131 CE1 TYR A 74 8.042 -0.011 -6.533 1.00 0.00 C ATOM 1132 CE2 TYR A 74 10.328 0.610 -6.821 1.00 0.00 C ATOM 1133 CZ TYR A 74 9.335 -0.339 -6.870 1.00 0.00 C ATOM 1134 OH TYR A 74 9.632 -1.630 -7.270 1.00 0.00 O ATOM 0 H TYR A 74 8.103 5.111 -8.059 1.00 0.00 H new ATOM 0 HA TYR A 74 6.307 3.594 -6.269 1.00 0.00 H new ATOM 0 HB2 TYR A 74 9.248 4.351 -5.884 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.240 3.736 -4.589 1.00 0.00 H new ATOM 0 HD1 TYR A 74 6.726 1.526 -5.875 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.824 2.635 -6.391 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.265 -0.760 -6.574 1.00 0.00 H new ATOM 0 HE2 TYR A 74 11.340 0.345 -7.089 1.00 0.00 H new ATOM 0 HH TYR A 74 10.549 -1.851 -7.006 1.00 0.00 H new ATOM 1144 N PHE A 75 6.343 6.672 -6.423 1.00 0.00 N ATOM 1145 CA PHE A 75 5.883 7.952 -5.817 1.00 0.00 C ATOM 1146 C PHE A 75 4.727 8.607 -6.611 1.00 0.00 C ATOM 1147 O PHE A 75 4.445 9.769 -6.393 1.00 0.00 O ATOM 1148 CB PHE A 75 7.073 8.956 -5.671 1.00 0.00 C ATOM 1149 CG PHE A 75 8.100 8.614 -4.584 1.00 0.00 C ATOM 1150 CD1 PHE A 75 7.843 8.919 -3.248 1.00 0.00 C ATOM 1151 CD2 PHE A 75 9.320 8.007 -4.898 1.00 0.00 C ATOM 1152 CE1 PHE A 75 8.770 8.636 -2.262 1.00 0.00 C ATOM 1153 CE2 PHE A 75 10.249 7.723 -3.911 1.00 0.00 C ATOM 1154 CZ PHE A 75 9.974 8.036 -2.593 1.00 0.00 C ATOM 0 H PHE A 75 6.381 6.682 -7.442 1.00 0.00 H new ATOM 0 HA PHE A 75 5.496 7.706 -4.828 1.00 0.00 H new ATOM 0 HB2 PHE A 75 7.591 9.019 -6.628 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.666 9.946 -5.463 1.00 0.00 H new ATOM 0 HD1 PHE A 75 6.906 9.383 -2.979 1.00 0.00 H new ATOM 0 HD2 PHE A 75 9.541 7.756 -5.925 1.00 0.00 H new ATOM 0 HE1 PHE A 75 8.555 8.883 -1.233 1.00 0.00 H new ATOM 0 HE2 PHE A 75 11.188 7.257 -4.171 1.00 0.00 H new ATOM 0 HZ PHE A 75 10.697 7.813 -1.822 1.00 0.00 H new ATOM 1164 N VAL A 76 4.031 7.870 -7.496 1.00 0.00 N ATOM 1165 CA VAL A 76 2.752 8.358 -8.087 1.00 0.00 C ATOM 1166 C VAL A 76 1.600 7.701 -7.316 1.00 0.00 C ATOM 1167 O VAL A 76 1.629 6.493 -7.092 1.00 0.00 O ATOM 1168 CB VAL A 76 2.641 8.082 -9.637 1.00 0.00 C ATOM 1169 CG1 VAL A 76 1.225 8.382 -10.189 1.00 0.00 C ATOM 1170 CG2 VAL A 76 3.696 8.905 -10.411 1.00 0.00 C ATOM 0 H VAL A 76 4.319 6.947 -7.820 1.00 0.00 H new ATOM 0 HA VAL A 76 2.709 9.443 -7.990 1.00 0.00 H new ATOM 0 HB VAL A 76 2.831 7.019 -9.785 1.00 0.00 H new ATOM 0 HG11 VAL A 76 1.201 8.176 -11.259 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.495 7.751 -9.681 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.981 9.430 -10.015 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.605 8.702 -11.478 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.534 9.967 -10.229 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.694 8.627 -10.073 1.00 0.00 H new ATOM 1180 N LEU A 77 0.622 8.518 -6.888 1.00 0.00 N ATOM 1181 CA LEU A 77 -0.424 8.106 -5.922 1.00 0.00 C ATOM 1182 C LEU A 77 -1.340 6.961 -6.407 1.00 0.00 C ATOM 1183 O LEU A 77 -1.884 6.229 -5.574 1.00 0.00 O ATOM 1184 CB LEU A 77 -1.269 9.323 -5.485 1.00 0.00 C ATOM 1185 CG LEU A 77 -0.474 10.524 -4.875 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -1.429 11.566 -4.286 1.00 0.00 C ATOM 1187 CD2 LEU A 77 0.577 10.068 -3.833 1.00 0.00 C ATOM 0 H LEU A 77 0.530 9.485 -7.200 1.00 0.00 H new ATOM 0 HA LEU A 77 0.119 7.700 -5.068 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.826 9.683 -6.350 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.002 8.987 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 77 0.080 10.990 -5.690 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.853 12.392 -3.868 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.086 11.942 -5.070 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.029 11.107 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.101 10.939 -3.440 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.077 9.546 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.293 9.397 -4.308 1.00 0.00 H new ATOM 1199 N LYS A 78 -1.521 6.801 -7.732 1.00 0.00 N ATOM 1200 CA LYS A 78 -2.285 5.648 -8.283 1.00 0.00 C ATOM 1201 C LYS A 78 -1.422 4.360 -8.246 1.00 0.00 C ATOM 1202 O LYS A 78 -1.942 3.266 -7.983 1.00 0.00 O ATOM 1203 CB LYS A 78 -2.813 5.940 -9.716 1.00 0.00 C ATOM 1204 CG LYS A 78 -1.729 6.214 -10.774 1.00 0.00 C ATOM 1205 CD LYS A 78 -2.319 6.460 -12.179 1.00 0.00 C ATOM 1206 CE LYS A 78 -1.240 6.555 -13.260 1.00 0.00 C ATOM 1207 NZ LYS A 78 -0.397 5.327 -13.313 1.00 0.00 N ATOM 0 H LYS A 78 -1.157 7.441 -8.438 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.159 5.490 -7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.412 5.091 -10.045 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.479 6.801 -9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -1.144 7.083 -10.473 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -1.044 5.367 -10.815 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.007 5.652 -12.427 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.901 7.382 -12.169 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.711 6.714 -14.230 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.608 7.421 -13.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.182 5.340 -14.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 0.225 5.297 -12.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.009 4.486 -13.319 1.00 0.00 H new ATOM 1221 N ASN A 79 -0.099 4.515 -8.474 1.00 0.00 N ATOM 1222 CA ASN A 79 0.884 3.404 -8.340 1.00 0.00 C ATOM 1223 C ASN A 79 1.014 3.015 -6.857 1.00 0.00 C ATOM 1224 O ASN A 79 1.224 1.846 -6.515 1.00 0.00 O ATOM 1225 CB ASN A 79 2.290 3.805 -8.894 1.00 0.00 C ATOM 1226 CG ASN A 79 2.309 4.178 -10.382 1.00 0.00 C ATOM 1227 OD1 ASN A 79 1.357 4.757 -10.910 1.00 0.00 O ATOM 1228 ND2 ASN A 79 3.406 3.854 -11.064 1.00 0.00 N ATOM 0 H ASN A 79 0.320 5.402 -8.754 1.00 0.00 H new ATOM 0 HA ASN A 79 0.519 2.560 -8.925 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.666 4.650 -8.317 1.00 0.00 H new ATOM 0 HB3 ASN A 79 2.979 2.976 -8.732 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.477 4.085 -12.055 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.175 3.375 -10.595 1.00 0.00 H new ATOM 1235 N LEU A 80 0.869 4.031 -5.991 1.00 0.00 N ATOM 1236 CA LEU A 80 0.935 3.897 -4.533 1.00 0.00 C ATOM 1237 C LEU A 80 -0.252 3.081 -4.031 1.00 0.00 C ATOM 1238 O LEU A 80 -0.077 2.091 -3.321 1.00 0.00 O ATOM 1239 CB LEU A 80 0.972 5.306 -3.888 1.00 0.00 C ATOM 1240 CG LEU A 80 1.091 5.375 -2.335 1.00 0.00 C ATOM 1241 CD1 LEU A 80 2.392 4.696 -1.832 1.00 0.00 C ATOM 1242 CD2 LEU A 80 0.969 6.840 -1.851 1.00 0.00 C ATOM 0 H LEU A 80 0.699 4.989 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 80 1.844 3.367 -4.249 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.813 5.852 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.066 5.836 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 80 0.264 4.813 -1.901 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.441 4.763 -0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.394 3.648 -2.131 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.256 5.199 -2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.054 6.873 -0.765 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.765 7.437 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.002 7.243 -2.152 1.00 0.00 H new ATOM 1254 N ALA A 81 -1.449 3.484 -4.479 1.00 0.00 N ATOM 1255 CA ALA A 81 -2.717 2.826 -4.131 1.00 0.00 C ATOM 1256 C ALA A 81 -2.715 1.349 -4.568 1.00 0.00 C ATOM 1257 O ALA A 81 -3.246 0.490 -3.865 1.00 0.00 O ATOM 1258 CB ALA A 81 -3.882 3.576 -4.779 1.00 0.00 C ATOM 0 H ALA A 81 -1.566 4.285 -5.100 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.834 2.850 -3.048 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -4.820 3.086 -4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.898 4.605 -4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.759 3.573 -5.862 1.00 0.00 H new ATOM 1264 N ALA A 82 -2.084 1.075 -5.722 1.00 0.00 N ATOM 1265 CA ALA A 82 -1.961 -0.284 -6.276 1.00 0.00 C ATOM 1266 C ALA A 82 -1.048 -1.173 -5.404 1.00 0.00 C ATOM 1267 O ALA A 82 -1.400 -2.312 -5.109 1.00 0.00 O ATOM 1268 CB ALA A 82 -1.435 -0.216 -7.718 1.00 0.00 C ATOM 0 H ALA A 82 -1.644 1.792 -6.299 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.951 -0.740 -6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.347 -1.225 -8.121 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.128 0.360 -8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.457 0.265 -7.726 1.00 0.00 H new ATOM 1274 N ARG A 83 0.122 -0.626 -5.002 1.00 0.00 N ATOM 1275 CA ARG A 83 1.128 -1.343 -4.162 1.00 0.00 C ATOM 1276 C ARG A 83 0.568 -1.704 -2.772 1.00 0.00 C ATOM 1277 O ARG A 83 0.764 -2.825 -2.279 1.00 0.00 O ATOM 1278 CB ARG A 83 2.408 -0.475 -3.993 1.00 0.00 C ATOM 1279 CG ARG A 83 3.325 -0.410 -5.233 1.00 0.00 C ATOM 1280 CD ARG A 83 4.446 0.615 -5.067 1.00 0.00 C ATOM 1281 NE ARG A 83 3.930 1.992 -5.082 1.00 0.00 N ATOM 1282 CZ ARG A 83 4.515 3.039 -4.509 1.00 0.00 C ATOM 1283 NH1 ARG A 83 5.574 2.890 -3.732 1.00 0.00 N ATOM 1284 NH2 ARG A 83 4.041 4.250 -4.730 1.00 0.00 N ATOM 0 H ARG A 83 0.402 0.324 -5.247 1.00 0.00 H new ATOM 0 HA ARG A 83 1.375 -2.270 -4.679 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.108 0.539 -3.729 1.00 0.00 H new ATOM 0 HB3 ARG A 83 2.985 -0.865 -3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.758 -1.394 -5.415 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.730 -0.157 -6.110 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.970 0.433 -4.129 1.00 0.00 H new ATOM 0 HD3 ARG A 83 5.175 0.491 -5.868 1.00 0.00 H new ATOM 0 HE ARG A 83 3.051 2.157 -5.572 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.956 1.959 -3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.009 3.706 -3.301 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.231 4.378 -5.337 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.484 5.059 -4.294 1.00 0.00 H new ATOM 1298 N ILE A 84 -0.108 -0.735 -2.153 1.00 0.00 N ATOM 1299 CA ILE A 84 -0.709 -0.886 -0.817 1.00 0.00 C ATOM 1300 C ILE A 84 -1.838 -1.929 -0.857 1.00 0.00 C ATOM 1301 O ILE A 84 -1.868 -2.848 -0.036 1.00 0.00 O ATOM 1302 CB ILE A 84 -1.251 0.498 -0.319 1.00 0.00 C ATOM 1303 CG1 ILE A 84 -0.073 1.529 -0.252 1.00 0.00 C ATOM 1304 CG2 ILE A 84 -1.984 0.371 1.042 1.00 0.00 C ATOM 1305 CD1 ILE A 84 -0.472 2.963 -0.022 1.00 0.00 C ATOM 0 H ILE A 84 -0.258 0.186 -2.564 1.00 0.00 H new ATOM 0 HA ILE A 84 0.053 -1.234 -0.119 1.00 0.00 H new ATOM 0 HB ILE A 84 -1.991 0.861 -1.032 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.605 1.227 0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 84 0.488 1.472 -1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -2.345 1.351 1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.828 -0.311 0.938 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.295 -0.017 1.792 1.00 0.00 H new ATOM 0 HD11 ILE A 84 0.420 3.589 0.007 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.122 3.294 -0.832 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.004 3.045 0.926 1.00 0.00 H new ATOM 1317 N ASP A 85 -2.719 -1.794 -1.863 1.00 0.00 N ATOM 1318 CA ASP A 85 -3.842 -2.730 -2.101 1.00 0.00 C ATOM 1319 C ASP A 85 -3.326 -4.153 -2.377 1.00 0.00 C ATOM 1320 O ASP A 85 -3.958 -5.132 -1.989 1.00 0.00 O ATOM 1321 CB ASP A 85 -4.703 -2.238 -3.291 1.00 0.00 C ATOM 1322 CG ASP A 85 -5.929 -3.121 -3.564 1.00 0.00 C ATOM 1323 OD1 ASP A 85 -6.901 -3.040 -2.791 1.00 0.00 O ATOM 1324 OD2 ASP A 85 -5.916 -3.912 -4.532 1.00 0.00 O ATOM 0 H ASP A 85 -2.676 -1.031 -2.539 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.457 -2.758 -1.201 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.036 -1.219 -3.092 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.084 -2.202 -4.187 1.00 0.00 H new ATOM 1329 N GLU A 86 -2.167 -4.228 -3.046 1.00 0.00 N ATOM 1330 CA GLU A 86 -1.482 -5.482 -3.373 1.00 0.00 C ATOM 1331 C GLU A 86 -1.050 -6.203 -2.077 1.00 0.00 C ATOM 1332 O GLU A 86 -1.160 -7.418 -1.983 1.00 0.00 O ATOM 1333 CB GLU A 86 -0.265 -5.157 -4.293 1.00 0.00 C ATOM 1334 CG GLU A 86 0.221 -6.289 -5.214 1.00 0.00 C ATOM 1335 CD GLU A 86 0.843 -7.499 -4.496 1.00 0.00 C ATOM 1336 OE1 GLU A 86 1.960 -7.367 -3.947 1.00 0.00 O ATOM 1337 OE2 GLU A 86 0.215 -8.583 -4.468 1.00 0.00 O ATOM 0 H GLU A 86 -1.672 -3.402 -3.381 1.00 0.00 H new ATOM 0 HA GLU A 86 -2.152 -6.157 -3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -0.526 -4.300 -4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.568 -4.850 -3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -0.622 -6.636 -5.812 1.00 0.00 H new ATOM 0 HG3 GLU A 86 0.957 -5.881 -5.907 1.00 0.00 H new ATOM 1344 N LEU A 87 -0.581 -5.424 -1.081 1.00 0.00 N ATOM 1345 CA LEU A 87 -0.177 -5.960 0.243 1.00 0.00 C ATOM 1346 C LEU A 87 -1.401 -6.365 1.090 1.00 0.00 C ATOM 1347 O LEU A 87 -1.318 -7.300 1.901 1.00 0.00 O ATOM 1348 CB LEU A 87 0.690 -4.927 1.004 1.00 0.00 C ATOM 1349 CG LEU A 87 2.060 -4.587 0.337 1.00 0.00 C ATOM 1350 CD1 LEU A 87 2.807 -3.503 1.127 1.00 0.00 C ATOM 1351 CD2 LEU A 87 2.941 -5.848 0.159 1.00 0.00 C ATOM 0 H LEU A 87 -0.471 -4.414 -1.166 1.00 0.00 H new ATOM 0 HA LEU A 87 0.416 -6.858 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.118 -4.005 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.877 -5.305 2.009 1.00 0.00 H new ATOM 0 HG LEU A 87 1.846 -4.195 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.757 -3.287 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.203 -2.597 1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.992 -3.855 2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.885 -5.569 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.137 -6.296 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.422 -6.568 -0.474 1.00 0.00 H new ATOM 1363 N VAL A 88 -2.533 -5.669 0.875 1.00 0.00 N ATOM 1364 CA VAL A 88 -3.826 -5.990 1.526 1.00 0.00 C ATOM 1365 C VAL A 88 -4.419 -7.260 0.871 1.00 0.00 C ATOM 1366 O VAL A 88 -5.078 -8.066 1.526 1.00 0.00 O ATOM 1367 CB VAL A 88 -4.824 -4.768 1.414 1.00 0.00 C ATOM 1368 CG1 VAL A 88 -6.211 -5.080 2.042 1.00 0.00 C ATOM 1369 CG2 VAL A 88 -4.209 -3.496 2.053 1.00 0.00 C ATOM 0 H VAL A 88 -2.582 -4.868 0.246 1.00 0.00 H new ATOM 0 HA VAL A 88 -3.664 -6.181 2.587 1.00 0.00 H new ATOM 0 HB VAL A 88 -4.986 -4.585 0.352 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.860 -4.211 1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.660 -5.930 1.529 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.087 -5.318 3.098 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.912 -2.668 1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.999 -3.683 3.106 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.283 -3.242 1.538 1.00 0.00 H new ATOM 1379 N ALA A 89 -4.095 -7.444 -0.422 1.00 0.00 N ATOM 1380 CA ALA A 89 -4.495 -8.614 -1.220 1.00 0.00 C ATOM 1381 C ALA A 89 -3.576 -9.809 -0.912 1.00 0.00 C ATOM 1382 O ALA A 89 -4.004 -10.953 -0.989 1.00 0.00 O ATOM 1383 CB ALA A 89 -4.468 -8.282 -2.725 1.00 0.00 C ATOM 0 H ALA A 89 -3.538 -6.771 -0.949 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.516 -8.883 -0.951 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.767 -9.161 -3.297 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.158 -7.464 -2.930 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -3.459 -7.987 -3.014 1.00 0.00 H new ATOM 1389 N ALA A 90 -2.305 -9.522 -0.572 1.00 0.00 N ATOM 1390 CA ALA A 90 -1.317 -10.539 -0.152 1.00 0.00 C ATOM 1391 C ALA A 90 -1.647 -11.070 1.251 1.00 0.00 C ATOM 1392 O ALA A 90 -1.352 -12.221 1.578 1.00 0.00 O ATOM 1393 CB ALA A 90 0.101 -9.944 -0.193 1.00 0.00 C ATOM 0 H ALA A 90 -1.931 -8.573 -0.580 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.362 -11.378 -0.846 1.00 0.00 H new ATOM 0 HB1 ALA A 90 0.822 -10.700 0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.330 -9.620 -1.208 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.157 -9.090 0.482 1.00 0.00 H new