USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 689 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 74 SER OG : rot 140:sc= -0.27 USER MOD Set 1.2: A 76 HIS :FLIP no HD1:sc= 0.275 F(o=-2!,f=0.0055) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -3.61 K(o=-3.6,f=-5) USER MOD Single : A 19 LYS NZ :NH3+ -153:sc= -0.28 (180deg=-1.39) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 18:sc= 0.703 USER MOD Single : A 45 MET CE :methyl 147:sc= -0.73 (180deg=-2.6!) USER MOD Single : A 48 HIS : no HD1:sc= -3.39! C(o=-3.4!,f=-5.2!) USER MOD Single : A 49 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.61! C(o=-1.6!,f=-3.9!) USER MOD Single : A 52 ASN : amide:sc= -0.137 K(o=-0.14,f=-2!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot -28:sc= 0.843 USER MOD Single : A 61 GLN :FLIP amide:sc= -2.97! C(o=-4.4!,f=-3!) USER MOD Single : A 66 LYS NZ :NH3+ -165:sc= -0.0251 (180deg=-0.231) USER MOD Single : A 77 MET CE :methyl 145:sc= -0.456 (180deg=-1.16) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -2.063 12.735 -9.971 1.00 0.00 N ATOM 67 CA ASP A 8 -1.343 11.640 -9.331 1.00 0.00 C ATOM 68 C ASP A 8 -2.183 11.013 -8.223 1.00 0.00 C ATOM 69 O ASP A 8 -3.281 11.481 -7.920 1.00 0.00 O ATOM 70 CB ASP A 8 -0.015 12.140 -8.761 1.00 0.00 C ATOM 71 CG ASP A 8 0.712 13.067 -9.714 1.00 0.00 C ATOM 72 OD1 ASP A 8 1.456 12.562 -10.581 1.00 0.00 O ATOM 73 OD2 ASP A 8 0.538 14.298 -9.594 1.00 0.00 O ATOM 0 HA ASP A 8 -1.142 10.879 -10.085 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.200 12.661 -7.822 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.623 11.286 -8.532 1.00 0.00 H new ATOM 78 N VAL A 9 -1.660 9.949 -7.621 1.00 0.00 N ATOM 79 CA VAL A 9 -2.361 9.257 -6.546 1.00 0.00 C ATOM 80 C VAL A 9 -1.570 9.320 -5.245 1.00 0.00 C ATOM 81 O VAL A 9 -0.609 8.574 -5.053 1.00 0.00 O ATOM 82 CB VAL A 9 -2.621 7.781 -6.905 1.00 0.00 C ATOM 83 CG1 VAL A 9 -3.291 7.060 -5.746 1.00 0.00 C ATOM 84 CG2 VAL A 9 -3.466 7.682 -8.166 1.00 0.00 C ATOM 0 H VAL A 9 -0.753 9.548 -7.860 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.316 9.765 -6.412 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.664 7.297 -7.097 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.467 6.019 -6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.645 7.102 -4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.242 7.541 -5.519 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.640 6.633 -8.406 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.421 8.181 -8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.942 8.161 -8.993 1.00 0.00 H new ATOM 94 N ARG A 10 -1.981 10.214 -4.351 1.00 0.00 N ATOM 95 CA ARG A 10 -1.311 10.375 -3.067 1.00 0.00 C ATOM 96 C ARG A 10 -1.492 9.132 -2.200 1.00 0.00 C ATOM 97 O ARG A 10 -2.615 8.754 -1.865 1.00 0.00 O ATOM 98 CB ARG A 10 -1.853 11.604 -2.335 1.00 0.00 C ATOM 99 CG ARG A 10 -0.894 12.168 -1.300 1.00 0.00 C ATOM 100 CD ARG A 10 -1.623 13.016 -0.269 1.00 0.00 C ATOM 101 NE ARG A 10 -1.795 14.395 -0.716 1.00 0.00 N ATOM 102 CZ ARG A 10 -2.223 15.375 0.071 1.00 0.00 C ATOM 103 NH1 ARG A 10 -2.520 15.129 1.340 1.00 0.00 N ATOM 104 NH2 ARG A 10 -2.354 16.605 -0.410 1.00 0.00 N ATOM 0 H ARG A 10 -2.775 10.838 -4.493 1.00 0.00 H new ATOM 0 HA ARG A 10 -0.246 10.514 -3.256 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -2.083 12.380 -3.066 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -2.790 11.340 -1.844 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.375 11.350 -0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -0.134 12.771 -1.797 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -2.599 12.577 -0.064 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.066 13.006 0.668 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.574 14.618 -1.687 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.420 14.185 1.714 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -2.849 15.884 1.942 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -2.126 16.798 -1.385 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -2.683 17.357 0.196 1.00 0.00 H new ATOM 118 N VAL A 11 -0.379 8.501 -1.839 1.00 0.00 N ATOM 119 CA VAL A 11 -0.415 7.302 -1.010 1.00 0.00 C ATOM 120 C VAL A 11 0.348 7.512 0.293 1.00 0.00 C ATOM 121 O VAL A 11 1.575 7.612 0.299 1.00 0.00 O ATOM 122 CB VAL A 11 0.180 6.090 -1.751 1.00 0.00 C ATOM 123 CG1 VAL A 11 0.181 4.863 -0.852 1.00 0.00 C ATOM 124 CG2 VAL A 11 -0.589 5.821 -3.035 1.00 0.00 C ATOM 0 H VAL A 11 0.558 8.800 -2.108 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.463 7.103 -0.786 1.00 0.00 H new ATOM 0 HB VAL A 11 1.213 6.318 -2.015 1.00 0.00 H new ATOM 0 HG11 VAL A 11 0.605 4.016 -1.392 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.780 5.063 0.036 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.841 4.629 -0.555 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -0.155 4.961 -3.546 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.632 5.613 -2.798 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.532 6.695 -3.683 1.00 0.00 H new ATOM 134 N LYS A 12 -0.387 7.578 1.398 1.00 0.00 N ATOM 135 CA LYS A 12 0.219 7.775 2.710 1.00 0.00 C ATOM 136 C LYS A 12 0.449 6.438 3.408 1.00 0.00 C ATOM 137 O LYS A 12 -0.494 5.688 3.662 1.00 0.00 O ATOM 138 CB LYS A 12 -0.671 8.668 3.577 1.00 0.00 C ATOM 139 CG LYS A 12 0.010 9.161 4.842 1.00 0.00 C ATOM 140 CD LYS A 12 -0.518 10.521 5.267 1.00 0.00 C ATOM 141 CE LYS A 12 -1.895 10.410 5.903 1.00 0.00 C ATOM 142 NZ LYS A 12 -2.538 11.743 6.070 1.00 0.00 N ATOM 0 H LYS A 12 -1.404 7.498 1.411 1.00 0.00 H new ATOM 0 HA LYS A 12 1.184 8.262 2.568 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.992 9.528 2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -1.570 8.115 3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -0.148 8.441 5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.086 9.223 4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 12 0.175 10.977 5.974 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.568 11.180 4.400 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.530 9.775 5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.808 9.924 6.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.474 11.624 6.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.945 12.341 6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.645 12.196 5.140 1.00 0.00 H new ATOM 156 N PHE A 13 1.709 6.147 3.718 1.00 0.00 N ATOM 157 CA PHE A 13 2.063 4.901 4.387 1.00 0.00 C ATOM 158 C PHE A 13 1.949 5.046 5.902 1.00 0.00 C ATOM 159 O PHE A 13 1.946 6.158 6.430 1.00 0.00 O ATOM 160 CB PHE A 13 3.484 4.480 4.010 1.00 0.00 C ATOM 161 CG PHE A 13 3.613 4.011 2.589 1.00 0.00 C ATOM 162 CD1 PHE A 13 2.765 3.036 2.088 1.00 0.00 C ATOM 163 CD2 PHE A 13 4.582 4.544 1.754 1.00 0.00 C ATOM 164 CE1 PHE A 13 2.881 2.602 0.781 1.00 0.00 C ATOM 165 CE2 PHE A 13 4.703 4.113 0.446 1.00 0.00 C ATOM 166 CZ PHE A 13 3.851 3.142 -0.041 1.00 0.00 C ATOM 0 H PHE A 13 2.501 6.757 3.516 1.00 0.00 H new ATOM 0 HA PHE A 13 1.365 4.131 4.059 1.00 0.00 H new ATOM 0 HB2 PHE A 13 4.158 5.322 4.169 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.807 3.682 4.678 1.00 0.00 H new ATOM 0 HD1 PHE A 13 2.005 2.610 2.726 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.250 5.305 2.129 1.00 0.00 H new ATOM 0 HE1 PHE A 13 2.214 1.841 0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 13 5.463 4.535 -0.194 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.943 2.805 -1.063 1.00 0.00 H new ATOM 176 N GLU A 14 1.855 3.915 6.594 1.00 0.00 N ATOM 177 CA GLU A 14 1.739 3.916 8.047 1.00 0.00 C ATOM 178 C GLU A 14 2.343 2.647 8.642 1.00 0.00 C ATOM 179 O GLU A 14 1.807 1.552 8.470 1.00 0.00 O ATOM 180 CB GLU A 14 0.272 4.041 8.464 1.00 0.00 C ATOM 181 CG GLU A 14 -0.186 5.476 8.659 1.00 0.00 C ATOM 182 CD GLU A 14 -1.687 5.635 8.514 1.00 0.00 C ATOM 183 OE1 GLU A 14 -2.431 4.910 9.207 1.00 0.00 O ATOM 184 OE2 GLU A 14 -2.117 6.485 7.706 1.00 0.00 O ATOM 0 H GLU A 14 1.857 2.987 6.172 1.00 0.00 H new ATOM 0 HA GLU A 14 2.292 4.774 8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.354 3.569 7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.119 3.491 9.392 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.118 5.819 9.648 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.315 6.115 7.932 1.00 0.00 H new ATOM 191 N HIS A 15 3.461 2.804 9.343 1.00 0.00 N ATOM 192 CA HIS A 15 4.139 1.671 9.964 1.00 0.00 C ATOM 193 C HIS A 15 4.562 2.007 11.391 1.00 0.00 C ATOM 194 O HIS A 15 5.543 2.719 11.606 1.00 0.00 O ATOM 195 CB HIS A 15 5.360 1.265 9.139 1.00 0.00 C ATOM 196 CG HIS A 15 5.767 -0.163 9.334 1.00 0.00 C ATOM 197 ND1 HIS A 15 5.810 -0.772 10.570 1.00 0.00 N ATOM 198 CD2 HIS A 15 6.149 -1.104 8.439 1.00 0.00 C ATOM 199 CE1 HIS A 15 6.202 -2.025 10.428 1.00 0.00 C ATOM 200 NE2 HIS A 15 6.414 -2.252 9.144 1.00 0.00 N ATOM 0 H HIS A 15 3.917 3.704 9.495 1.00 0.00 H new ATOM 0 HA HIS A 15 3.440 0.835 9.998 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.147 1.432 8.083 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.197 1.912 9.402 1.00 0.00 H new ATOM 0 HD1 HIS A 15 5.576 -0.325 11.456 1.00 0.00 H new ATOM 0 HD2 HIS A 15 6.230 -0.976 7.370 1.00 0.00 H new ATOM 0 HE1 HIS A 15 6.328 -2.742 11.226 1.00 0.00 H new ATOM 209 N ARG A 16 3.816 1.491 12.362 1.00 0.00 N ATOM 210 CA ARG A 16 4.113 1.738 13.768 1.00 0.00 C ATOM 211 C ARG A 16 4.244 3.233 14.041 1.00 0.00 C ATOM 212 O ARG A 16 5.258 3.692 14.566 1.00 0.00 O ATOM 213 CB ARG A 16 5.401 1.019 14.173 1.00 0.00 C ATOM 214 CG ARG A 16 5.255 -0.492 14.255 1.00 0.00 C ATOM 215 CD ARG A 16 6.575 -1.160 14.607 1.00 0.00 C ATOM 216 NE ARG A 16 6.927 -0.971 16.012 1.00 0.00 N ATOM 217 CZ ARG A 16 6.289 -1.562 17.015 1.00 0.00 C ATOM 218 NH1 ARG A 16 5.272 -2.376 16.771 1.00 0.00 N ATOM 219 NH2 ARG A 16 6.669 -1.340 18.267 1.00 0.00 N ATOM 0 H ARG A 16 3.001 0.899 12.201 1.00 0.00 H new ATOM 0 HA ARG A 16 3.286 1.349 14.362 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.184 1.261 13.454 1.00 0.00 H new ATOM 0 HB3 ARG A 16 5.729 1.397 15.141 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.506 -0.746 15.005 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.894 -0.876 13.301 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.511 -2.226 14.390 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.366 -0.753 13.977 1.00 0.00 H new ATOM 0 HE ARG A 16 7.706 -0.351 16.235 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.977 -2.550 15.810 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.784 -2.828 17.544 1.00 0.00 H new ATOM 0 HH21 ARG A 16 7.452 -0.715 18.459 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.178 -1.794 19.037 1.00 0.00 H new ATOM 233 N GLY A 17 3.212 3.989 13.680 1.00 0.00 N ATOM 234 CA GLY A 17 3.232 5.424 13.893 1.00 0.00 C ATOM 235 C GLY A 17 3.854 6.174 12.732 1.00 0.00 C ATOM 236 O GLY A 17 3.343 7.211 12.310 1.00 0.00 O ATOM 0 H GLY A 17 2.362 3.633 13.243 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.213 5.780 14.047 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.788 5.645 14.804 1.00 0.00 H new ATOM 240 N GLU A 18 4.961 5.649 12.215 1.00 0.00 N ATOM 241 CA GLU A 18 5.654 6.279 11.097 1.00 0.00 C ATOM 242 C GLU A 18 4.754 6.345 9.867 1.00 0.00 C ATOM 243 O GLU A 18 3.913 5.472 9.650 1.00 0.00 O ATOM 244 CB GLU A 18 6.935 5.510 10.764 1.00 0.00 C ATOM 245 CG GLU A 18 7.981 5.565 11.865 1.00 0.00 C ATOM 246 CD GLU A 18 7.377 5.442 13.251 1.00 0.00 C ATOM 247 OE1 GLU A 18 6.841 6.451 13.755 1.00 0.00 O ATOM 248 OE2 GLU A 18 7.442 4.339 13.831 1.00 0.00 O ATOM 0 H GLU A 18 5.396 4.790 12.552 1.00 0.00 H new ATOM 0 HA GLU A 18 5.915 7.296 11.391 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.682 4.468 10.566 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.363 5.914 9.847 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.703 4.763 11.715 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.529 6.505 11.794 1.00 0.00 H new ATOM 255 N LYS A 19 4.936 7.388 9.063 1.00 0.00 N ATOM 256 CA LYS A 19 4.142 7.570 7.854 1.00 0.00 C ATOM 257 C LYS A 19 4.959 8.259 6.766 1.00 0.00 C ATOM 258 O LYS A 19 5.887 9.014 7.057 1.00 0.00 O ATOM 259 CB LYS A 19 2.888 8.391 8.162 1.00 0.00 C ATOM 260 CG LYS A 19 3.101 9.450 9.229 1.00 0.00 C ATOM 261 CD LYS A 19 2.198 10.653 9.009 1.00 0.00 C ATOM 262 CE LYS A 19 0.844 10.463 9.674 1.00 0.00 C ATOM 263 NZ LYS A 19 0.086 9.330 9.074 1.00 0.00 N ATOM 0 H LYS A 19 5.627 8.120 9.228 1.00 0.00 H new ATOM 0 HA LYS A 19 3.845 6.586 7.492 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.546 8.873 7.246 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.093 7.718 8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.905 9.022 10.212 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.143 9.770 9.222 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.678 11.547 9.407 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.060 10.815 7.940 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.985 10.282 10.740 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.262 11.380 9.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.934 9.494 9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 0.310 9.260 8.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.352 8.444 9.549 1.00 0.00 H new ATOM 277 N ARG A 20 4.608 7.996 5.512 1.00 0.00 N ATOM 278 CA ARG A 20 5.309 8.591 4.380 1.00 0.00 C ATOM 279 C ARG A 20 4.386 8.710 3.171 1.00 0.00 C ATOM 280 O ARG A 20 3.924 7.705 2.629 1.00 0.00 O ATOM 281 CB ARG A 20 6.538 7.756 4.017 1.00 0.00 C ATOM 282 CG ARG A 20 7.809 8.207 4.718 1.00 0.00 C ATOM 283 CD ARG A 20 8.262 9.572 4.224 1.00 0.00 C ATOM 284 NE ARG A 20 9.192 9.468 3.102 1.00 0.00 N ATOM 285 CZ ARG A 20 9.446 10.466 2.264 1.00 0.00 C ATOM 286 NH1 ARG A 20 8.845 11.637 2.420 1.00 0.00 N ATOM 287 NH2 ARG A 20 10.305 10.294 1.267 1.00 0.00 N ATOM 0 H ARG A 20 3.842 7.374 5.254 1.00 0.00 H new ATOM 0 HA ARG A 20 5.631 9.591 4.670 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.345 6.713 4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.692 7.801 2.939 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.638 8.246 5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.599 7.476 4.547 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.392 10.155 3.921 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.739 10.113 5.041 1.00 0.00 H new ATOM 0 HE ARG A 20 9.672 8.580 2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.185 11.774 3.186 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.042 12.402 1.774 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.770 9.395 1.144 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.500 11.061 0.624 1.00 0.00 H new ATOM 301 N ILE A 21 4.122 9.943 2.753 1.00 0.00 N ATOM 302 CA ILE A 21 3.256 10.193 1.608 1.00 0.00 C ATOM 303 C ILE A 21 4.032 10.091 0.299 1.00 0.00 C ATOM 304 O ILE A 21 5.121 10.651 0.165 1.00 0.00 O ATOM 305 CB ILE A 21 2.596 11.582 1.694 1.00 0.00 C ATOM 306 CG1 ILE A 21 1.648 11.647 2.893 1.00 0.00 C ATOM 307 CG2 ILE A 21 1.849 11.894 0.405 1.00 0.00 C ATOM 308 CD1 ILE A 21 2.309 12.149 4.158 1.00 0.00 C ATOM 0 H ILE A 21 4.496 10.785 3.191 1.00 0.00 H new ATOM 0 HA ILE A 21 2.479 9.429 1.627 1.00 0.00 H new ATOM 0 HB ILE A 21 3.376 12.331 1.830 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.809 12.298 2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.238 10.654 3.076 1.00 0.00 H new ATOM 0 HG21 ILE A 21 1.388 12.879 0.481 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.547 11.884 -0.432 1.00 0.00 H new ATOM 0 HG23 ILE A 21 1.076 11.143 0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.579 12.169 4.967 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.130 11.485 4.427 1.00 0.00 H new ATOM 0 HD13 ILE A 21 2.695 13.155 3.992 1.00 0.00 H new ATOM 320 N LEU A 22 3.464 9.374 -0.664 1.00 0.00 N ATOM 321 CA LEU A 22 4.101 9.200 -1.965 1.00 0.00 C ATOM 322 C LEU A 22 3.225 9.763 -3.080 1.00 0.00 C ATOM 323 O LEU A 22 2.080 10.148 -2.848 1.00 0.00 O ATOM 324 CB LEU A 22 4.384 7.719 -2.222 1.00 0.00 C ATOM 325 CG LEU A 22 5.653 7.157 -1.581 1.00 0.00 C ATOM 326 CD1 LEU A 22 5.487 7.052 -0.072 1.00 0.00 C ATOM 327 CD2 LEU A 22 5.995 5.799 -2.177 1.00 0.00 C ATOM 0 H LEU A 22 2.564 8.904 -0.569 1.00 0.00 H new ATOM 0 HA LEU A 22 5.043 9.748 -1.957 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.533 7.140 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.445 7.563 -3.299 1.00 0.00 H new ATOM 0 HG LEU A 22 6.476 7.841 -1.789 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.400 6.650 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.290 8.041 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.652 6.390 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.901 5.414 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.172 5.106 -2.000 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.157 5.903 -3.250 1.00 0.00 H new ATOM 339 N GLN A 23 3.773 9.806 -4.291 1.00 0.00 N ATOM 340 CA GLN A 23 3.040 10.321 -5.442 1.00 0.00 C ATOM 341 C GLN A 23 3.282 9.454 -6.673 1.00 0.00 C ATOM 342 O GLN A 23 4.403 9.367 -7.173 1.00 0.00 O ATOM 343 CB GLN A 23 3.453 11.765 -5.731 1.00 0.00 C ATOM 344 CG GLN A 23 2.875 12.772 -4.750 1.00 0.00 C ATOM 345 CD GLN A 23 3.115 14.206 -5.176 1.00 0.00 C ATOM 346 OE1 GLN A 23 4.031 14.867 -4.685 1.00 0.00 O ATOM 347 NE2 GLN A 23 2.292 14.698 -6.095 1.00 0.00 N ATOM 0 H GLN A 23 4.720 9.491 -4.500 1.00 0.00 H new ATOM 0 HA GLN A 23 1.976 10.295 -5.206 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.541 11.834 -5.711 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.136 12.030 -6.740 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.803 12.601 -4.650 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.317 12.610 -3.767 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.546 14.116 -6.476 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.406 15.658 -6.420 1.00 0.00 H new ATOM 356 N PHE A 24 2.223 8.813 -7.156 1.00 0.00 N ATOM 357 CA PHE A 24 2.320 7.950 -8.328 1.00 0.00 C ATOM 358 C PHE A 24 1.346 8.397 -9.414 1.00 0.00 C ATOM 359 O PHE A 24 0.127 8.306 -9.266 1.00 0.00 O ATOM 360 CB PHE A 24 2.040 6.496 -7.943 1.00 0.00 C ATOM 361 CG PHE A 24 2.988 5.957 -6.910 1.00 0.00 C ATOM 362 CD1 PHE A 24 4.176 5.352 -7.290 1.00 0.00 C ATOM 363 CD2 PHE A 24 2.692 6.054 -5.560 1.00 0.00 C ATOM 364 CE1 PHE A 24 5.051 4.854 -6.342 1.00 0.00 C ATOM 365 CE2 PHE A 24 3.563 5.559 -4.608 1.00 0.00 C ATOM 366 CZ PHE A 24 4.743 4.957 -5.000 1.00 0.00 C ATOM 0 H PHE A 24 1.288 8.875 -6.754 1.00 0.00 H new ATOM 0 HA PHE A 24 3.334 8.025 -8.720 1.00 0.00 H new ATOM 0 HB2 PHE A 24 1.021 6.418 -7.565 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.097 5.874 -8.837 1.00 0.00 H new ATOM 0 HD1 PHE A 24 4.421 5.269 -8.339 1.00 0.00 H new ATOM 0 HD2 PHE A 24 1.770 6.522 -5.248 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.974 4.385 -6.651 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.321 5.643 -3.559 1.00 0.00 H new ATOM 0 HZ PHE A 24 5.424 4.567 -4.258 1.00 0.00 H new ATOM 376 N PRO A 25 1.894 8.893 -10.533 1.00 0.00 N ATOM 377 CA PRO A 25 1.093 9.364 -11.666 1.00 0.00 C ATOM 378 C PRO A 25 0.395 8.222 -12.397 1.00 0.00 C ATOM 379 O PRO A 25 1.042 7.404 -13.051 1.00 0.00 O ATOM 380 CB PRO A 25 2.125 10.031 -12.578 1.00 0.00 C ATOM 381 CG PRO A 25 3.414 9.364 -12.243 1.00 0.00 C ATOM 382 CD PRO A 25 3.340 9.031 -10.778 1.00 0.00 C ATOM 0 HA PRO A 25 0.291 10.030 -11.349 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.871 9.895 -13.629 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.177 11.105 -12.398 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.554 8.464 -12.841 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.259 10.020 -12.452 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.876 8.111 -10.547 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.778 9.818 -10.164 1.00 0.00 H new ATOM 390 N ARG A 26 -0.928 8.173 -12.283 1.00 0.00 N ATOM 391 CA ARG A 26 -1.713 7.131 -12.933 1.00 0.00 C ATOM 392 C ARG A 26 -1.346 7.014 -14.409 1.00 0.00 C ATOM 393 O ARG A 26 -1.022 7.999 -15.073 1.00 0.00 O ATOM 394 CB ARG A 26 -3.208 7.424 -12.790 1.00 0.00 C ATOM 395 CG ARG A 26 -3.785 7.005 -11.447 1.00 0.00 C ATOM 396 CD ARG A 26 -5.305 6.986 -11.476 1.00 0.00 C ATOM 397 NE ARG A 26 -5.826 5.729 -12.006 1.00 0.00 N ATOM 398 CZ ARG A 26 -6.103 5.531 -13.290 1.00 0.00 C ATOM 399 NH1 ARG A 26 -5.909 6.504 -14.171 1.00 0.00 N ATOM 400 NH2 ARG A 26 -6.575 4.359 -13.696 1.00 0.00 N ATOM 0 H ARG A 26 -1.479 8.843 -11.746 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.487 6.183 -12.444 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.375 8.492 -12.931 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.748 6.909 -13.585 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.413 6.015 -11.182 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.443 7.692 -10.673 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.689 7.141 -10.468 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -5.666 7.814 -12.086 1.00 0.00 H new ATOM 0 HE ARG A 26 -5.986 4.961 -11.354 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.546 7.406 -13.863 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -6.122 6.350 -15.156 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.726 3.609 -13.022 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -6.787 4.209 -14.682 1.00 0.00 H new ATOM 414 N PRO A 27 -1.396 5.782 -14.937 1.00 0.00 N ATOM 415 CA PRO A 27 -1.780 4.602 -14.156 1.00 0.00 C ATOM 416 C PRO A 27 -0.725 4.223 -13.122 1.00 0.00 C ATOM 417 O PRO A 27 0.470 4.209 -13.417 1.00 0.00 O ATOM 418 CB PRO A 27 -1.911 3.504 -15.214 1.00 0.00 C ATOM 419 CG PRO A 27 -1.024 3.943 -16.328 1.00 0.00 C ATOM 420 CD PRO A 27 -1.082 5.445 -16.335 1.00 0.00 C ATOM 0 HA PRO A 27 -2.691 4.771 -13.583 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -1.602 2.536 -14.820 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -2.943 3.397 -15.548 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.003 3.592 -16.176 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.362 3.535 -17.280 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -0.135 5.882 -16.650 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.847 5.814 -17.019 1.00 0.00 H new ATOM 428 N VAL A 28 -1.175 3.915 -11.910 1.00 0.00 N ATOM 429 CA VAL A 28 -0.270 3.533 -10.833 1.00 0.00 C ATOM 430 C VAL A 28 0.084 2.052 -10.911 1.00 0.00 C ATOM 431 O VAL A 28 -0.776 1.209 -11.165 1.00 0.00 O ATOM 432 CB VAL A 28 -0.883 3.831 -9.452 1.00 0.00 C ATOM 433 CG1 VAL A 28 -0.003 3.273 -8.344 1.00 0.00 C ATOM 434 CG2 VAL A 28 -1.094 5.327 -9.274 1.00 0.00 C ATOM 0 H VAL A 28 -2.161 3.923 -11.649 1.00 0.00 H new ATOM 0 HA VAL A 28 0.636 4.127 -10.956 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.855 3.340 -9.393 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.453 3.494 -7.376 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.091 2.194 -8.463 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.984 3.731 -8.398 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -1.528 5.519 -8.293 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.137 5.842 -9.354 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -1.769 5.694 -10.047 1.00 0.00 H new ATOM 444 N LYS A 29 1.357 1.742 -10.689 1.00 0.00 N ATOM 445 CA LYS A 29 1.827 0.362 -10.732 1.00 0.00 C ATOM 446 C LYS A 29 2.036 -0.186 -9.324 1.00 0.00 C ATOM 447 O LYS A 29 2.737 0.416 -8.510 1.00 0.00 O ATOM 448 CB LYS A 29 3.133 0.271 -11.525 1.00 0.00 C ATOM 449 CG LYS A 29 3.017 0.788 -12.948 1.00 0.00 C ATOM 450 CD LYS A 29 2.315 -0.212 -13.850 1.00 0.00 C ATOM 451 CE LYS A 29 1.580 0.482 -14.987 1.00 0.00 C ATOM 452 NZ LYS A 29 0.967 -0.495 -15.929 1.00 0.00 N ATOM 0 H LYS A 29 2.082 2.428 -10.477 1.00 0.00 H new ATOM 0 HA LYS A 29 1.065 -0.240 -11.228 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.905 0.837 -11.004 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.461 -0.768 -11.550 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.467 1.729 -12.950 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.011 0.999 -13.342 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.046 -0.909 -14.260 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.608 -0.799 -13.263 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.803 1.127 -14.577 1.00 0.00 H new ATOM 0 HE3 LYS A 29 2.274 1.124 -15.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.476 0.017 -16.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.711 -1.095 -16.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.286 -1.091 -15.417 1.00 0.00 H new ATOM 466 N LEU A 30 1.424 -1.331 -9.043 1.00 0.00 N ATOM 467 CA LEU A 30 1.544 -1.961 -7.733 1.00 0.00 C ATOM 468 C LEU A 30 3.007 -2.085 -7.320 1.00 0.00 C ATOM 469 O LEU A 30 3.356 -1.856 -6.162 1.00 0.00 O ATOM 470 CB LEU A 30 0.888 -3.343 -7.748 1.00 0.00 C ATOM 471 CG LEU A 30 1.109 -4.204 -6.504 1.00 0.00 C ATOM 472 CD1 LEU A 30 0.375 -3.615 -5.309 1.00 0.00 C ATOM 473 CD2 LEU A 30 0.655 -5.634 -6.757 1.00 0.00 C ATOM 0 H LEU A 30 0.840 -1.842 -9.705 1.00 0.00 H new ATOM 0 HA LEU A 30 1.033 -1.330 -7.006 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.185 -3.212 -7.889 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.259 -3.890 -8.615 1.00 0.00 H new ATOM 0 HG LEU A 30 2.176 -4.216 -6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.544 -4.241 -4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.747 -2.609 -5.113 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.693 -3.572 -5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.820 -6.232 -5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.406 -5.640 -7.007 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.225 -6.056 -7.585 1.00 0.00 H new ATOM 485 N GLU A 31 3.858 -2.446 -8.276 1.00 0.00 N ATOM 486 CA GLU A 31 5.284 -2.598 -8.011 1.00 0.00 C ATOM 487 C GLU A 31 5.903 -1.270 -7.585 1.00 0.00 C ATOM 488 O GLU A 31 6.751 -1.225 -6.694 1.00 0.00 O ATOM 489 CB GLU A 31 6.002 -3.133 -9.251 1.00 0.00 C ATOM 490 CG GLU A 31 6.361 -2.055 -10.260 1.00 0.00 C ATOM 491 CD GLU A 31 6.604 -2.613 -11.648 1.00 0.00 C ATOM 492 OE1 GLU A 31 5.862 -3.529 -12.059 1.00 0.00 O ATOM 493 OE2 GLU A 31 7.539 -2.133 -12.324 1.00 0.00 O ATOM 0 H GLU A 31 3.585 -2.638 -9.240 1.00 0.00 H new ATOM 0 HA GLU A 31 5.401 -3.312 -7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.912 -3.645 -8.940 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.368 -3.875 -9.736 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.556 -1.321 -10.303 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.254 -1.529 -9.922 1.00 0.00 H new ATOM 500 N ASP A 32 5.473 -0.190 -8.229 1.00 0.00 N ATOM 501 CA ASP A 32 5.984 1.140 -7.919 1.00 0.00 C ATOM 502 C ASP A 32 5.745 1.485 -6.452 1.00 0.00 C ATOM 503 O ASP A 32 6.652 1.940 -5.754 1.00 0.00 O ATOM 504 CB ASP A 32 5.321 2.186 -8.816 1.00 0.00 C ATOM 505 CG ASP A 32 5.971 2.272 -10.183 1.00 0.00 C ATOM 506 OD1 ASP A 32 7.156 1.895 -10.301 1.00 0.00 O ATOM 507 OD2 ASP A 32 5.295 2.715 -11.134 1.00 0.00 O ATOM 0 H ASP A 32 4.771 -0.210 -8.969 1.00 0.00 H new ATOM 0 HA ASP A 32 7.058 1.142 -8.104 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.265 1.943 -8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.371 3.161 -8.331 1.00 0.00 H new ATOM 512 N LEU A 33 4.519 1.266 -5.990 1.00 0.00 N ATOM 513 CA LEU A 33 4.159 1.554 -4.606 1.00 0.00 C ATOM 514 C LEU A 33 5.100 0.842 -3.640 1.00 0.00 C ATOM 515 O LEU A 33 5.587 1.439 -2.679 1.00 0.00 O ATOM 516 CB LEU A 33 2.715 1.130 -4.335 1.00 0.00 C ATOM 517 CG LEU A 33 1.632 2.117 -4.771 1.00 0.00 C ATOM 518 CD1 LEU A 33 0.349 1.381 -5.123 1.00 0.00 C ATOM 519 CD2 LEU A 33 1.377 3.146 -3.679 1.00 0.00 C ATOM 0 H LEU A 33 3.757 0.890 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 33 4.251 2.629 -4.448 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.536 0.180 -4.838 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.605 0.950 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 33 1.982 2.640 -5.661 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.410 2.100 -5.431 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.541 0.684 -5.939 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.005 0.830 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.603 3.840 -4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.049 2.640 -2.771 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.296 3.696 -3.476 1.00 0.00 H new ATOM 531 N ARG A 34 5.354 -0.436 -3.902 1.00 0.00 N ATOM 532 CA ARG A 34 6.237 -1.229 -3.056 1.00 0.00 C ATOM 533 C ARG A 34 7.676 -0.729 -3.153 1.00 0.00 C ATOM 534 O ARG A 34 8.297 -0.395 -2.144 1.00 0.00 O ATOM 535 CB ARG A 34 6.171 -2.705 -3.454 1.00 0.00 C ATOM 536 CG ARG A 34 4.761 -3.273 -3.452 1.00 0.00 C ATOM 537 CD ARG A 34 4.763 -4.770 -3.720 1.00 0.00 C ATOM 538 NE ARG A 34 5.031 -5.542 -2.510 1.00 0.00 N ATOM 539 CZ ARG A 34 5.441 -6.806 -2.520 1.00 0.00 C ATOM 540 NH1 ARG A 34 5.631 -7.435 -3.672 1.00 0.00 N ATOM 541 NH2 ARG A 34 5.663 -7.442 -1.377 1.00 0.00 N ATOM 0 H ARG A 34 4.960 -0.944 -4.694 1.00 0.00 H new ATOM 0 HA ARG A 34 5.902 -1.123 -2.024 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.600 -2.824 -4.449 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.789 -3.286 -2.769 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.289 -3.075 -2.489 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.163 -2.767 -4.210 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.798 -5.066 -4.132 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.516 -5.003 -4.473 1.00 0.00 H new ATOM 0 HE ARG A 34 4.896 -5.086 -1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.462 -6.949 -4.553 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.946 -8.405 -3.677 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.519 -6.961 -0.489 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.978 -8.412 -1.386 1.00 0.00 H new ATOM 555 N SER A 35 8.199 -0.681 -4.374 1.00 0.00 N ATOM 556 CA SER A 35 9.565 -0.227 -4.603 1.00 0.00 C ATOM 557 C SER A 35 9.873 1.012 -3.768 1.00 0.00 C ATOM 558 O SER A 35 10.828 1.031 -2.992 1.00 0.00 O ATOM 559 CB SER A 35 9.782 0.078 -6.087 1.00 0.00 C ATOM 560 OG SER A 35 11.141 -0.097 -6.450 1.00 0.00 O ATOM 0 H SER A 35 7.697 -0.951 -5.220 1.00 0.00 H new ATOM 0 HA SER A 35 10.242 -1.026 -4.300 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.154 -0.576 -6.692 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.474 1.102 -6.300 1.00 0.00 H new ATOM 0 HG SER A 35 11.253 0.102 -7.403 1.00 0.00 H new ATOM 566 N LYS A 36 9.056 2.047 -3.933 1.00 0.00 N ATOM 567 CA LYS A 36 9.237 3.291 -3.194 1.00 0.00 C ATOM 568 C LYS A 36 9.271 3.032 -1.691 1.00 0.00 C ATOM 569 O LYS A 36 10.288 3.257 -1.036 1.00 0.00 O ATOM 570 CB LYS A 36 8.113 4.274 -3.528 1.00 0.00 C ATOM 571 CG LYS A 36 8.092 4.703 -4.985 1.00 0.00 C ATOM 572 CD LYS A 36 9.206 5.689 -5.292 1.00 0.00 C ATOM 573 CE LYS A 36 8.808 7.111 -4.927 1.00 0.00 C ATOM 574 NZ LYS A 36 8.021 7.763 -6.010 1.00 0.00 N ATOM 0 H LYS A 36 8.261 2.049 -4.573 1.00 0.00 H new ATOM 0 HA LYS A 36 10.192 3.725 -3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.156 3.816 -3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.216 5.158 -2.899 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.194 3.826 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.129 5.157 -5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.104 5.409 -4.741 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.454 5.640 -6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.221 7.099 -4.009 1.00 0.00 H new ATOM 0 HE3 LYS A 36 9.704 7.698 -4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 7.769 8.730 -5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.590 7.798 -6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.153 7.217 -6.185 1.00 0.00 H new ATOM 588 N ALA A 37 8.153 2.556 -1.152 1.00 0.00 N ATOM 589 CA ALA A 37 8.057 2.263 0.272 1.00 0.00 C ATOM 590 C ALA A 37 9.299 1.530 0.767 1.00 0.00 C ATOM 591 O ALA A 37 9.746 1.736 1.896 1.00 0.00 O ATOM 592 CB ALA A 37 6.808 1.442 0.559 1.00 0.00 C ATOM 0 H ALA A 37 7.302 2.365 -1.680 1.00 0.00 H new ATOM 0 HA ALA A 37 7.988 3.209 0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 37 6.749 1.230 1.627 1.00 0.00 H new ATOM 0 HB2 ALA A 37 5.925 2.003 0.251 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.854 0.504 0.005 1.00 0.00 H new ATOM 598 N LYS A 38 9.853 0.673 -0.083 1.00 0.00 N ATOM 599 CA LYS A 38 11.044 -0.091 0.266 1.00 0.00 C ATOM 600 C LYS A 38 12.270 0.814 0.336 1.00 0.00 C ATOM 601 O LYS A 38 13.135 0.638 1.195 1.00 0.00 O ATOM 602 CB LYS A 38 11.278 -1.206 -0.755 1.00 0.00 C ATOM 603 CG LYS A 38 12.482 -2.077 -0.440 1.00 0.00 C ATOM 604 CD LYS A 38 12.877 -2.935 -1.630 1.00 0.00 C ATOM 605 CE LYS A 38 14.346 -3.327 -1.572 1.00 0.00 C ATOM 606 NZ LYS A 38 14.633 -4.525 -2.408 1.00 0.00 N ATOM 0 H LYS A 38 9.495 0.490 -1.020 1.00 0.00 H new ATOM 0 HA LYS A 38 10.885 -0.535 1.249 1.00 0.00 H new ATOM 0 HB2 LYS A 38 10.389 -1.834 -0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 38 11.410 -0.762 -1.742 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.322 -1.446 -0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.256 -2.718 0.412 1.00 0.00 H new ATOM 0 HD2 LYS A 38 12.260 -3.833 -1.653 1.00 0.00 H new ATOM 0 HD3 LYS A 38 12.681 -2.390 -2.554 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.959 -2.492 -1.912 1.00 0.00 H new ATOM 0 HE3 LYS A 38 14.628 -3.529 -0.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.644 -4.760 -2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 14.068 -5.329 -2.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.388 -4.324 -3.399 1.00 0.00 H new ATOM 620 N ILE A 39 12.337 1.783 -0.571 1.00 0.00 N ATOM 621 CA ILE A 39 13.456 2.717 -0.610 1.00 0.00 C ATOM 622 C ILE A 39 13.344 3.754 0.502 1.00 0.00 C ATOM 623 O ILE A 39 14.348 4.175 1.076 1.00 0.00 O ATOM 624 CB ILE A 39 13.538 3.441 -1.966 1.00 0.00 C ATOM 625 CG1 ILE A 39 13.718 2.429 -3.099 1.00 0.00 C ATOM 626 CG2 ILE A 39 14.679 4.447 -1.961 1.00 0.00 C ATOM 627 CD1 ILE A 39 13.127 2.883 -4.415 1.00 0.00 C ATOM 0 H ILE A 39 11.630 1.942 -1.289 1.00 0.00 H new ATOM 0 HA ILE A 39 14.363 2.130 -0.466 1.00 0.00 H new ATOM 0 HB ILE A 39 12.605 3.980 -2.130 1.00 0.00 H new ATOM 0 HG12 ILE A 39 14.782 2.234 -3.236 1.00 0.00 H new ATOM 0 HG13 ILE A 39 13.256 1.485 -2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 39 14.724 4.951 -2.927 1.00 0.00 H new ATOM 0 HG22 ILE A 39 14.511 5.183 -1.175 1.00 0.00 H new ATOM 0 HG23 ILE A 39 15.620 3.929 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 39 13.292 2.116 -5.172 1.00 0.00 H new ATOM 0 HD12 ILE A 39 12.057 3.050 -4.295 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.606 3.811 -4.728 1.00 0.00 H new ATOM 639 N ALA A 40 12.115 4.162 0.802 1.00 0.00 N ATOM 640 CA ALA A 40 11.872 5.148 1.848 1.00 0.00 C ATOM 641 C ALA A 40 12.274 4.607 3.216 1.00 0.00 C ATOM 642 O ALA A 40 12.993 5.266 3.968 1.00 0.00 O ATOM 643 CB ALA A 40 10.408 5.562 1.852 1.00 0.00 C ATOM 0 H ALA A 40 11.273 3.825 0.336 1.00 0.00 H new ATOM 0 HA ALA A 40 12.486 6.024 1.638 1.00 0.00 H new ATOM 0 HB1 ALA A 40 10.240 6.299 2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.150 5.997 0.886 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.783 4.688 2.035 1.00 0.00 H new ATOM 649 N PHE A 41 11.805 3.405 3.533 1.00 0.00 N ATOM 650 CA PHE A 41 12.115 2.777 4.813 1.00 0.00 C ATOM 651 C PHE A 41 13.397 1.955 4.718 1.00 0.00 C ATOM 652 O PHE A 41 14.205 1.935 5.646 1.00 0.00 O ATOM 653 CB PHE A 41 10.956 1.885 5.261 1.00 0.00 C ATOM 654 CG PHE A 41 9.760 2.654 5.744 1.00 0.00 C ATOM 655 CD1 PHE A 41 8.999 3.404 4.862 1.00 0.00 C ATOM 656 CD2 PHE A 41 9.396 2.627 7.081 1.00 0.00 C ATOM 657 CE1 PHE A 41 7.898 4.113 5.303 1.00 0.00 C ATOM 658 CE2 PHE A 41 8.295 3.333 7.528 1.00 0.00 C ATOM 659 CZ PHE A 41 7.546 4.078 6.638 1.00 0.00 C ATOM 0 H PHE A 41 11.209 2.846 2.922 1.00 0.00 H new ATOM 0 HA PHE A 41 12.263 3.566 5.551 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.656 1.247 4.429 1.00 0.00 H new ATOM 0 HB3 PHE A 41 11.301 1.227 6.059 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.270 3.435 3.817 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.979 2.048 7.782 1.00 0.00 H new ATOM 0 HE1 PHE A 41 7.314 4.694 4.605 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.021 3.302 8.572 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.687 4.632 6.986 1.00 0.00 H new ATOM 669 N GLY A 42 13.576 1.276 3.589 1.00 0.00 N ATOM 670 CA GLY A 42 14.761 0.461 3.394 1.00 0.00 C ATOM 671 C GLY A 42 14.567 -0.967 3.866 1.00 0.00 C ATOM 672 O GLY A 42 15.451 -1.543 4.498 1.00 0.00 O ATOM 0 H GLY A 42 12.922 1.276 2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 42 15.026 0.458 2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.598 0.907 3.931 1.00 0.00 H new ATOM 676 N GLN A 43 13.406 -1.537 3.559 1.00 0.00 N ATOM 677 CA GLN A 43 13.098 -2.905 3.959 1.00 0.00 C ATOM 678 C GLN A 43 11.846 -3.410 3.250 1.00 0.00 C ATOM 679 O GLN A 43 10.904 -2.653 3.017 1.00 0.00 O ATOM 680 CB GLN A 43 12.908 -2.985 5.475 1.00 0.00 C ATOM 681 CG GLN A 43 14.193 -3.274 6.234 1.00 0.00 C ATOM 682 CD GLN A 43 13.943 -3.953 7.567 1.00 0.00 C ATOM 683 OE1 GLN A 43 14.436 -5.052 7.819 1.00 0.00 O ATOM 684 NE2 GLN A 43 13.173 -3.299 8.429 1.00 0.00 N ATOM 0 H GLN A 43 12.664 -1.073 3.035 1.00 0.00 H new ATOM 0 HA GLN A 43 13.937 -3.539 3.671 1.00 0.00 H new ATOM 0 HB2 GLN A 43 12.489 -2.043 5.831 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.179 -3.763 5.701 1.00 0.00 H new ATOM 0 HG2 GLN A 43 14.837 -3.907 5.623 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.730 -2.340 6.401 1.00 0.00 H new ATOM 0 HE21 GLN A 43 12.785 -2.390 8.178 1.00 0.00 H new ATOM 0 HE22 GLN A 43 12.970 -3.706 9.342 1.00 0.00 H new ATOM 693 N SER A 44 11.843 -4.695 2.909 1.00 0.00 N ATOM 694 CA SER A 44 10.708 -5.301 2.223 1.00 0.00 C ATOM 695 C SER A 44 9.499 -5.393 3.149 1.00 0.00 C ATOM 696 O SER A 44 9.541 -6.068 4.178 1.00 0.00 O ATOM 697 CB SER A 44 11.079 -6.694 1.711 1.00 0.00 C ATOM 698 OG SER A 44 11.197 -7.616 2.780 1.00 0.00 O ATOM 0 H SER A 44 12.614 -5.336 3.097 1.00 0.00 H new ATOM 0 HA SER A 44 10.447 -4.667 1.375 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.320 -7.041 1.010 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.020 -6.645 1.164 1.00 0.00 H new ATOM 0 HG SER A 44 10.746 -7.257 3.573 1.00 0.00 H new ATOM 704 N MET A 45 8.422 -4.709 2.776 1.00 0.00 N ATOM 705 CA MET A 45 7.200 -4.715 3.572 1.00 0.00 C ATOM 706 C MET A 45 5.967 -4.762 2.675 1.00 0.00 C ATOM 707 O MET A 45 5.963 -4.201 1.579 1.00 0.00 O ATOM 708 CB MET A 45 7.145 -3.476 4.469 1.00 0.00 C ATOM 709 CG MET A 45 7.440 -2.179 3.733 1.00 0.00 C ATOM 710 SD MET A 45 7.921 -0.844 4.845 1.00 0.00 S ATOM 711 CE MET A 45 9.201 -1.648 5.806 1.00 0.00 C ATOM 0 H MET A 45 8.371 -4.144 1.928 1.00 0.00 H new ATOM 0 HA MET A 45 7.207 -5.608 4.197 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.156 -3.410 4.923 1.00 0.00 H new ATOM 0 HB3 MET A 45 7.862 -3.594 5.282 1.00 0.00 H new ATOM 0 HG2 MET A 45 8.237 -2.349 3.010 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.557 -1.877 3.169 1.00 0.00 H new ATOM 0 HE1 MET A 45 9.961 -0.917 6.084 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.764 -2.077 6.707 1.00 0.00 H new ATOM 0 HE3 MET A 45 9.659 -2.439 5.212 1.00 0.00 H new ATOM 721 N ASP A 46 4.923 -5.435 3.148 1.00 0.00 N ATOM 722 CA ASP A 46 3.684 -5.554 2.388 1.00 0.00 C ATOM 723 C ASP A 46 2.893 -4.250 2.429 1.00 0.00 C ATOM 724 O ASP A 46 3.137 -3.391 3.277 1.00 0.00 O ATOM 725 CB ASP A 46 2.832 -6.699 2.939 1.00 0.00 C ATOM 726 CG ASP A 46 3.201 -8.039 2.333 1.00 0.00 C ATOM 727 OD1 ASP A 46 4.410 -8.343 2.257 1.00 0.00 O ATOM 728 OD2 ASP A 46 2.281 -8.783 1.936 1.00 0.00 O ATOM 0 H ASP A 46 4.910 -5.906 4.053 1.00 0.00 H new ATOM 0 HA ASP A 46 3.942 -5.769 1.351 1.00 0.00 H new ATOM 0 HB2 ASP A 46 2.951 -6.748 4.021 1.00 0.00 H new ATOM 0 HB3 ASP A 46 1.780 -6.492 2.743 1.00 0.00 H new ATOM 733 N LEU A 47 1.947 -4.109 1.507 1.00 0.00 N ATOM 734 CA LEU A 47 1.121 -2.909 1.437 1.00 0.00 C ATOM 735 C LEU A 47 -0.349 -3.245 1.668 1.00 0.00 C ATOM 736 O LEU A 47 -1.047 -3.684 0.753 1.00 0.00 O ATOM 737 CB LEU A 47 1.293 -2.227 0.079 1.00 0.00 C ATOM 738 CG LEU A 47 2.395 -1.171 -0.008 1.00 0.00 C ATOM 739 CD1 LEU A 47 3.758 -1.802 0.227 1.00 0.00 C ATOM 740 CD2 LEU A 47 2.355 -0.467 -1.357 1.00 0.00 C ATOM 0 H LEU A 47 1.733 -4.810 0.798 1.00 0.00 H new ATOM 0 HA LEU A 47 1.446 -2.227 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.494 -2.995 -0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.347 -1.759 -0.192 1.00 0.00 H new ATOM 0 HG LEU A 47 2.222 -0.428 0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.530 -1.035 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.782 -2.258 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.940 -2.566 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.147 0.281 -1.401 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.502 -1.197 -2.153 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.388 0.020 -1.485 1.00 0.00 H new ATOM 752 N HIS A 48 -0.813 -3.035 2.896 1.00 0.00 N ATOM 753 CA HIS A 48 -2.201 -3.314 3.246 1.00 0.00 C ATOM 754 C HIS A 48 -3.005 -2.021 3.350 1.00 0.00 C ATOM 755 O HIS A 48 -2.801 -1.224 4.267 1.00 0.00 O ATOM 756 CB HIS A 48 -2.272 -4.080 4.567 1.00 0.00 C ATOM 757 CG HIS A 48 -1.752 -5.482 4.475 1.00 0.00 C ATOM 758 ND1 HIS A 48 -0.706 -5.845 3.654 1.00 0.00 N ATOM 759 CD2 HIS A 48 -2.140 -6.613 5.110 1.00 0.00 C ATOM 760 CE1 HIS A 48 -0.474 -7.138 3.785 1.00 0.00 C ATOM 761 NE2 HIS A 48 -1.330 -7.628 4.663 1.00 0.00 N ATOM 0 H HIS A 48 -0.249 -2.673 3.665 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.633 -3.928 2.456 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.702 -3.539 5.322 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.307 -4.107 4.907 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.937 -6.701 5.833 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.287 -7.700 3.263 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -1.381 -8.602 4.961 1.00 0.00 H new ATOM 770 N TYR A 49 -3.917 -1.820 2.406 1.00 0.00 N ATOM 771 CA TYR A 49 -4.749 -0.623 2.390 1.00 0.00 C ATOM 772 C TYR A 49 -6.171 -0.941 2.842 1.00 0.00 C ATOM 773 O TYR A 49 -6.749 -1.955 2.448 1.00 0.00 O ATOM 774 CB TYR A 49 -4.773 -0.012 0.988 1.00 0.00 C ATOM 775 CG TYR A 49 -5.937 -0.478 0.144 1.00 0.00 C ATOM 776 CD1 TYR A 49 -5.911 -1.716 -0.487 1.00 0.00 C ATOM 777 CD2 TYR A 49 -7.062 0.320 -0.025 1.00 0.00 C ATOM 778 CE1 TYR A 49 -6.972 -2.146 -1.260 1.00 0.00 C ATOM 779 CE2 TYR A 49 -8.128 -0.103 -0.795 1.00 0.00 C ATOM 780 CZ TYR A 49 -8.079 -1.336 -1.410 1.00 0.00 C ATOM 781 OH TYR A 49 -9.138 -1.760 -2.179 1.00 0.00 O ATOM 0 H TYR A 49 -4.099 -2.470 1.642 1.00 0.00 H new ATOM 0 HA TYR A 49 -4.318 0.097 3.086 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.810 1.074 1.075 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -3.843 -0.260 0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -5.046 -2.353 -0.371 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -7.104 1.287 0.454 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -6.935 -3.111 -1.744 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -8.996 0.529 -0.915 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.921 -1.199 -1.996 1.00 0.00 H new ATOM 791 N THR A 50 -6.731 -0.067 3.673 1.00 0.00 N ATOM 792 CA THR A 50 -8.084 -0.254 4.180 1.00 0.00 C ATOM 793 C THR A 50 -9.070 0.667 3.469 1.00 0.00 C ATOM 794 O THR A 50 -8.739 1.802 3.131 1.00 0.00 O ATOM 795 CB THR A 50 -8.157 0.009 5.696 1.00 0.00 C ATOM 796 OG1 THR A 50 -7.976 1.404 5.961 1.00 0.00 O ATOM 797 CG2 THR A 50 -7.097 -0.794 6.436 1.00 0.00 C ATOM 0 H THR A 50 -6.268 0.777 4.009 1.00 0.00 H new ATOM 0 HA THR A 50 -8.354 -1.292 3.985 1.00 0.00 H new ATOM 0 HB THR A 50 -9.140 -0.303 6.049 1.00 0.00 H new ATOM 0 HG1 THR A 50 -8.026 1.563 6.927 1.00 0.00 H new ATOM 0 HG21 THR A 50 -7.168 -0.592 7.505 1.00 0.00 H new ATOM 0 HG22 THR A 50 -7.255 -1.857 6.256 1.00 0.00 H new ATOM 0 HG23 THR A 50 -6.108 -0.508 6.078 1.00 0.00 H new ATOM 805 N ASN A 51 -10.281 0.169 3.246 1.00 0.00 N ATOM 806 CA ASN A 51 -11.316 0.948 2.574 1.00 0.00 C ATOM 807 C ASN A 51 -12.246 1.606 3.589 1.00 0.00 C ATOM 808 O ASN A 51 -12.340 2.830 3.657 1.00 0.00 O ATOM 809 CB ASN A 51 -12.123 0.055 1.629 1.00 0.00 C ATOM 810 CG ASN A 51 -13.437 0.689 1.217 1.00 0.00 C ATOM 811 OD1 ASN A 51 -13.674 1.871 1.466 1.00 0.00 O ATOM 812 ND2 ASN A 51 -14.299 -0.097 0.582 1.00 0.00 N ATOM 0 H ASN A 51 -10.571 -0.770 3.520 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.828 1.731 1.994 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -11.530 -0.157 0.739 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.320 -0.900 2.116 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -15.200 0.274 0.279 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.060 -1.071 0.397 1.00 0.00 H new ATOM 819 N ASN A 52 -12.932 0.783 4.375 1.00 0.00 N ATOM 820 CA ASN A 52 -13.855 1.284 5.387 1.00 0.00 C ATOM 821 C ASN A 52 -13.637 0.577 6.721 1.00 0.00 C ATOM 822 O ASN A 52 -13.139 1.172 7.675 1.00 0.00 O ATOM 823 CB ASN A 52 -15.301 1.095 4.926 1.00 0.00 C ATOM 824 CG ASN A 52 -16.244 2.106 5.549 1.00 0.00 C ATOM 825 OD1 ASN A 52 -15.810 3.107 6.118 1.00 0.00 O ATOM 826 ND2 ASN A 52 -17.543 1.847 5.445 1.00 0.00 N ATOM 0 H ASN A 52 -12.866 -0.234 4.331 1.00 0.00 H new ATOM 0 HA ASN A 52 -13.661 2.348 5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.347 1.180 3.840 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -15.632 0.088 5.181 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -18.225 2.491 5.846 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -17.858 1.004 4.964 1.00 0.00 H new ATOM 833 N GLU A 53 -14.015 -0.697 6.777 1.00 0.00 N ATOM 834 CA GLU A 53 -13.861 -1.485 7.995 1.00 0.00 C ATOM 835 C GLU A 53 -13.195 -2.825 7.695 1.00 0.00 C ATOM 836 O GLU A 53 -13.417 -3.812 8.396 1.00 0.00 O ATOM 837 CB GLU A 53 -15.222 -1.716 8.655 1.00 0.00 C ATOM 838 CG GLU A 53 -15.995 -0.435 8.919 1.00 0.00 C ATOM 839 CD GLU A 53 -16.953 -0.563 10.088 1.00 0.00 C ATOM 840 OE1 GLU A 53 -17.964 -1.283 9.950 1.00 0.00 O ATOM 841 OE2 GLU A 53 -16.692 0.057 11.140 1.00 0.00 O ATOM 0 H GLU A 53 -14.429 -1.204 5.995 1.00 0.00 H new ATOM 0 HA GLU A 53 -13.223 -0.927 8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.820 -2.367 8.017 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.075 -2.242 9.598 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -15.293 0.375 9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -16.554 -0.161 8.024 1.00 0.00 H new ATOM 848 N LEU A 54 -12.377 -2.851 6.648 1.00 0.00 N ATOM 849 CA LEU A 54 -11.678 -4.069 6.253 1.00 0.00 C ATOM 850 C LEU A 54 -10.275 -3.751 5.747 1.00 0.00 C ATOM 851 O LEU A 54 -9.948 -2.596 5.475 1.00 0.00 O ATOM 852 CB LEU A 54 -12.468 -4.806 5.171 1.00 0.00 C ATOM 853 CG LEU A 54 -13.833 -5.354 5.591 1.00 0.00 C ATOM 854 CD1 LEU A 54 -14.786 -5.378 4.407 1.00 0.00 C ATOM 855 CD2 LEU A 54 -13.688 -6.745 6.190 1.00 0.00 C ATOM 0 H LEU A 54 -12.182 -2.043 6.058 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.591 -4.710 7.130 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -12.614 -4.127 4.331 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.862 -5.636 4.809 1.00 0.00 H new ATOM 0 HG LEU A 54 -14.249 -4.694 6.352 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.752 -5.771 4.725 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.915 -4.366 4.023 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -14.376 -6.014 3.623 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -14.669 -7.119 6.483 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.250 -7.416 5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -13.041 -6.698 7.066 1.00 0.00 H new ATOM 867 N VAL A 55 -9.449 -4.785 5.621 1.00 0.00 N ATOM 868 CA VAL A 55 -8.081 -4.618 5.144 1.00 0.00 C ATOM 869 C VAL A 55 -7.827 -5.457 3.898 1.00 0.00 C ATOM 870 O VAL A 55 -8.147 -6.646 3.862 1.00 0.00 O ATOM 871 CB VAL A 55 -7.057 -5.005 6.228 1.00 0.00 C ATOM 872 CG1 VAL A 55 -5.649 -4.633 5.790 1.00 0.00 C ATOM 873 CG2 VAL A 55 -7.406 -4.340 7.551 1.00 0.00 C ATOM 0 H VAL A 55 -9.703 -5.748 5.843 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.958 -3.563 4.899 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.094 -6.085 6.369 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.940 -4.914 6.568 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.404 -5.160 4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.593 -3.558 5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.673 -4.624 8.306 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.398 -3.257 7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.398 -4.662 7.870 1.00 0.00 H new ATOM 883 N ILE A 56 -7.250 -4.832 2.877 1.00 0.00 N ATOM 884 CA ILE A 56 -6.951 -5.522 1.629 1.00 0.00 C ATOM 885 C ILE A 56 -5.458 -5.483 1.323 1.00 0.00 C ATOM 886 O ILE A 56 -4.907 -4.456 0.927 1.00 0.00 O ATOM 887 CB ILE A 56 -7.722 -4.906 0.446 1.00 0.00 C ATOM 888 CG1 ILE A 56 -9.184 -4.669 0.831 1.00 0.00 C ATOM 889 CG2 ILE A 56 -7.629 -5.809 -0.775 1.00 0.00 C ATOM 890 CD1 ILE A 56 -9.423 -3.339 1.510 1.00 0.00 C ATOM 0 H ILE A 56 -6.980 -3.848 2.890 1.00 0.00 H new ATOM 0 HA ILE A 56 -7.266 -6.557 1.758 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.271 -3.945 0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -9.801 -4.726 -0.066 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.511 -5.470 1.494 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.179 -5.360 -1.602 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -6.584 -5.932 -1.058 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -8.058 -6.783 -0.541 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -10.481 -3.240 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -8.833 -3.286 2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.128 -2.531 0.841 1.00 0.00 H new ATOM 902 N PRO A 57 -4.786 -6.629 1.508 1.00 0.00 N ATOM 903 CA PRO A 57 -3.347 -6.753 1.255 1.00 0.00 C ATOM 904 C PRO A 57 -3.011 -6.682 -0.231 1.00 0.00 C ATOM 905 O PRO A 57 -3.119 -7.676 -0.950 1.00 0.00 O ATOM 906 CB PRO A 57 -3.007 -8.136 1.814 1.00 0.00 C ATOM 907 CG PRO A 57 -4.285 -8.898 1.746 1.00 0.00 C ATOM 908 CD PRO A 57 -5.379 -7.893 1.977 1.00 0.00 C ATOM 0 HA PRO A 57 -2.781 -5.942 1.713 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -2.226 -8.619 1.226 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.640 -8.070 2.838 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.399 -9.383 0.777 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -4.311 -9.684 2.501 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.281 -8.145 1.419 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.660 -7.839 3.029 1.00 0.00 H new ATOM 916 N LEU A 58 -2.604 -5.502 -0.684 1.00 0.00 N ATOM 917 CA LEU A 58 -2.252 -5.301 -2.086 1.00 0.00 C ATOM 918 C LEU A 58 -1.126 -6.241 -2.504 1.00 0.00 C ATOM 919 O LEU A 58 0.046 -5.988 -2.225 1.00 0.00 O ATOM 920 CB LEU A 58 -1.833 -3.849 -2.324 1.00 0.00 C ATOM 921 CG LEU A 58 -2.964 -2.820 -2.353 1.00 0.00 C ATOM 922 CD1 LEU A 58 -2.471 -1.470 -1.859 1.00 0.00 C ATOM 923 CD2 LEU A 58 -3.538 -2.699 -3.758 1.00 0.00 C ATOM 0 H LEU A 58 -2.509 -4.670 -0.102 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.131 -5.523 -2.691 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.128 -3.563 -1.543 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.297 -3.797 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 58 -3.756 -3.160 -1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.290 -0.751 -1.887 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.108 -1.567 -0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.661 -1.122 -2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.342 -1.963 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.754 -2.382 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.930 -3.665 -4.075 1.00 0.00 H new ATOM 935 N THR A 59 -1.490 -7.328 -3.178 1.00 0.00 N ATOM 936 CA THR A 59 -0.512 -8.307 -3.636 1.00 0.00 C ATOM 937 C THR A 59 -0.367 -8.270 -5.153 1.00 0.00 C ATOM 938 O THR A 59 0.741 -8.352 -5.684 1.00 0.00 O ATOM 939 CB THR A 59 -0.899 -9.733 -3.203 1.00 0.00 C ATOM 940 OG1 THR A 59 -2.230 -10.033 -3.637 1.00 0.00 O ATOM 941 CG2 THR A 59 -0.806 -9.884 -1.692 1.00 0.00 C ATOM 0 H THR A 59 -2.455 -7.552 -3.419 1.00 0.00 H new ATOM 0 HA THR A 59 0.440 -8.042 -3.176 1.00 0.00 H new ATOM 0 HB THR A 59 -0.201 -10.431 -3.665 1.00 0.00 H new ATOM 0 HG1 THR A 59 -2.468 -10.942 -3.359 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.084 -10.900 -1.410 1.00 0.00 H new ATOM 0 HG22 THR A 59 0.216 -9.684 -1.369 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.483 -9.176 -1.213 1.00 0.00 H new ATOM 949 N THR A 60 -1.494 -8.145 -5.848 1.00 0.00 N ATOM 950 CA THR A 60 -1.492 -8.098 -7.305 1.00 0.00 C ATOM 951 C THR A 60 -2.053 -6.775 -7.812 1.00 0.00 C ATOM 952 O THR A 60 -2.757 -6.071 -7.089 1.00 0.00 O ATOM 953 CB THR A 60 -2.313 -9.255 -7.905 1.00 0.00 C ATOM 954 OG1 THR A 60 -3.684 -9.140 -7.510 1.00 0.00 O ATOM 955 CG2 THR A 60 -1.761 -10.600 -7.456 1.00 0.00 C ATOM 0 H THR A 60 -2.419 -8.075 -5.425 1.00 0.00 H new ATOM 0 HA THR A 60 -0.454 -8.196 -7.624 1.00 0.00 H new ATOM 0 HB THR A 60 -2.243 -9.196 -8.991 1.00 0.00 H new ATOM 0 HG1 THR A 60 -3.739 -8.672 -6.650 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.357 -11.402 -7.892 1.00 0.00 H new ATOM 0 HG22 THR A 60 -0.726 -10.697 -7.785 1.00 0.00 H new ATOM 0 HG23 THR A 60 -1.804 -10.666 -6.369 1.00 0.00 H new ATOM 963 N GLN A 61 -1.737 -6.443 -9.060 1.00 0.00 N ATOM 964 CA GLN A 61 -2.211 -5.204 -9.664 1.00 0.00 C ATOM 965 C GLN A 61 -3.731 -5.105 -9.583 1.00 0.00 C ATOM 966 O GLN A 61 -4.275 -4.080 -9.171 1.00 0.00 O ATOM 967 CB GLN A 61 -1.760 -5.117 -11.123 1.00 0.00 C ATOM 968 CG GLN A 61 -0.423 -4.415 -11.305 1.00 0.00 C ATOM 969 CD GLN A 61 -0.576 -2.936 -11.597 1.00 0.00 C ATOM 970 OE1 GLN A 61 -1.320 -2.238 -10.747 1.00 0.00 O flip ATOM 971 NE2 GLN A 61 -0.031 -2.425 -12.576 1.00 0.00 N flip ATOM 0 H GLN A 61 -1.155 -7.015 -9.672 1.00 0.00 H new ATOM 0 HA GLN A 61 -1.781 -4.371 -9.108 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.691 -6.124 -11.534 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -2.520 -4.589 -11.699 1.00 0.00 H new ATOM 0 HG2 GLN A 61 0.176 -4.543 -10.404 1.00 0.00 H new ATOM 0 HG3 GLN A 61 0.123 -4.888 -12.121 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.532 -2.999 -13.204 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.143 -1.428 -12.759 1.00 0.00 H new ATOM 980 N ASP A 62 -4.410 -6.176 -9.978 1.00 0.00 N ATOM 981 CA ASP A 62 -5.868 -6.210 -9.950 1.00 0.00 C ATOM 982 C ASP A 62 -6.404 -5.498 -8.712 1.00 0.00 C ATOM 983 O ASP A 62 -7.363 -4.731 -8.792 1.00 0.00 O ATOM 984 CB ASP A 62 -6.366 -7.656 -9.978 1.00 0.00 C ATOM 985 CG ASP A 62 -6.274 -8.273 -11.360 1.00 0.00 C ATOM 986 OD1 ASP A 62 -6.810 -7.672 -12.314 1.00 0.00 O ATOM 987 OD2 ASP A 62 -5.668 -9.358 -11.487 1.00 0.00 O ATOM 0 H ASP A 62 -3.975 -7.032 -10.321 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.236 -5.690 -10.834 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.781 -8.252 -9.277 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.401 -7.688 -9.637 1.00 0.00 H new ATOM 992 N ASP A 63 -5.780 -5.759 -7.569 1.00 0.00 N ATOM 993 CA ASP A 63 -6.194 -5.143 -6.314 1.00 0.00 C ATOM 994 C ASP A 63 -5.936 -3.640 -6.334 1.00 0.00 C ATOM 995 O ASP A 63 -6.817 -2.843 -6.010 1.00 0.00 O ATOM 996 CB ASP A 63 -5.455 -5.784 -5.138 1.00 0.00 C ATOM 997 CG ASP A 63 -5.752 -7.265 -5.005 1.00 0.00 C ATOM 998 OD1 ASP A 63 -6.892 -7.610 -4.629 1.00 0.00 O ATOM 999 OD2 ASP A 63 -4.845 -8.079 -5.278 1.00 0.00 O ATOM 0 H ASP A 63 -4.985 -6.393 -7.486 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.265 -5.308 -6.194 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.382 -5.642 -5.266 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -5.736 -5.276 -4.216 1.00 0.00 H new ATOM 1004 N LEU A 64 -4.722 -3.259 -6.716 1.00 0.00 N ATOM 1005 CA LEU A 64 -4.346 -1.851 -6.778 1.00 0.00 C ATOM 1006 C LEU A 64 -5.281 -1.078 -7.704 1.00 0.00 C ATOM 1007 O LEU A 64 -5.887 -0.085 -7.302 1.00 0.00 O ATOM 1008 CB LEU A 64 -2.902 -1.708 -7.260 1.00 0.00 C ATOM 1009 CG LEU A 64 -2.469 -0.303 -7.681 1.00 0.00 C ATOM 1010 CD1 LEU A 64 -2.582 0.662 -6.511 1.00 0.00 C ATOM 1011 CD2 LEU A 64 -1.048 -0.323 -8.224 1.00 0.00 C ATOM 0 H LEU A 64 -3.981 -3.905 -6.987 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.430 -1.434 -5.774 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.239 -2.047 -6.464 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.754 -2.380 -8.105 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.134 0.040 -8.474 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.270 1.657 -6.829 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.616 0.698 -6.168 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.941 0.323 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.757 0.685 -8.519 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.369 -0.686 -7.453 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.999 -0.983 -9.090 1.00 0.00 H new ATOM 1023 N ASP A 65 -5.395 -1.542 -8.943 1.00 0.00 N ATOM 1024 CA ASP A 65 -6.259 -0.897 -9.925 1.00 0.00 C ATOM 1025 C ASP A 65 -7.661 -0.690 -9.362 1.00 0.00 C ATOM 1026 O ASP A 65 -8.276 0.357 -9.566 1.00 0.00 O ATOM 1027 CB ASP A 65 -6.328 -1.734 -11.203 1.00 0.00 C ATOM 1028 CG ASP A 65 -6.547 -0.885 -12.440 1.00 0.00 C ATOM 1029 OD1 ASP A 65 -5.547 -0.422 -13.026 1.00 0.00 O ATOM 1030 OD2 ASP A 65 -7.719 -0.682 -12.821 1.00 0.00 O ATOM 0 H ASP A 65 -4.900 -2.363 -9.292 1.00 0.00 H new ATOM 0 HA ASP A 65 -5.834 0.078 -10.161 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.403 -2.300 -11.313 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -7.137 -2.459 -11.116 1.00 0.00 H new ATOM 1035 N LYS A 66 -8.163 -1.695 -8.653 1.00 0.00 N ATOM 1036 CA LYS A 66 -9.493 -1.625 -8.059 1.00 0.00 C ATOM 1037 C LYS A 66 -9.482 -0.764 -6.800 1.00 0.00 C ATOM 1038 O LYS A 66 -10.527 -0.302 -6.343 1.00 0.00 O ATOM 1039 CB LYS A 66 -10.000 -3.030 -7.725 1.00 0.00 C ATOM 1040 CG LYS A 66 -10.752 -3.693 -8.866 1.00 0.00 C ATOM 1041 CD LYS A 66 -11.317 -5.041 -8.452 1.00 0.00 C ATOM 1042 CE LYS A 66 -12.170 -5.649 -9.554 1.00 0.00 C ATOM 1043 NZ LYS A 66 -13.404 -4.854 -9.804 1.00 0.00 N ATOM 0 H LYS A 66 -7.668 -2.569 -8.475 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.164 -1.167 -8.785 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.152 -3.656 -7.447 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.654 -2.974 -6.854 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -11.563 -3.043 -9.195 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -10.083 -3.823 -9.717 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -10.500 -5.719 -8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -11.916 -4.924 -7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -11.586 -5.711 -10.472 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -12.444 -6.668 -9.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -14.073 -5.419 -10.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -13.843 -4.599 -8.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -13.159 -3.988 -10.325 1.00 0.00 H new ATOM 1057 N ALA A 67 -8.294 -0.550 -6.245 1.00 0.00 N ATOM 1058 CA ALA A 67 -8.147 0.258 -5.041 1.00 0.00 C ATOM 1059 C ALA A 67 -7.999 1.736 -5.387 1.00 0.00 C ATOM 1060 O ALA A 67 -8.403 2.608 -4.617 1.00 0.00 O ATOM 1061 CB ALA A 67 -6.952 -0.217 -4.228 1.00 0.00 C ATOM 0 H ALA A 67 -7.419 -0.925 -6.610 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.050 0.140 -4.442 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.855 0.396 -3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.098 -1.258 -3.941 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.046 -0.129 -4.828 1.00 0.00 H new ATOM 1067 N VAL A 68 -7.417 2.012 -6.550 1.00 0.00 N ATOM 1068 CA VAL A 68 -7.216 3.384 -6.998 1.00 0.00 C ATOM 1069 C VAL A 68 -8.492 3.956 -7.605 1.00 0.00 C ATOM 1070 O VAL A 68 -8.767 5.150 -7.485 1.00 0.00 O ATOM 1071 CB VAL A 68 -6.081 3.476 -8.035 1.00 0.00 C ATOM 1072 CG1 VAL A 68 -5.878 4.917 -8.479 1.00 0.00 C ATOM 1073 CG2 VAL A 68 -4.794 2.898 -7.467 1.00 0.00 C ATOM 0 H VAL A 68 -7.076 1.303 -7.199 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.942 3.967 -6.119 1.00 0.00 H new ATOM 0 HB VAL A 68 -6.362 2.889 -8.909 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.072 4.962 -9.212 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.798 5.292 -8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.619 5.530 -7.616 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.002 2.971 -8.213 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.506 3.457 -6.576 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.950 1.852 -7.204 1.00 0.00 H new ATOM 1083 N GLU A 69 -9.268 3.096 -8.257 1.00 0.00 N ATOM 1084 CA GLU A 69 -10.515 3.517 -8.884 1.00 0.00 C ATOM 1085 C GLU A 69 -11.548 3.909 -7.831 1.00 0.00 C ATOM 1086 O GLU A 69 -12.329 4.841 -8.028 1.00 0.00 O ATOM 1087 CB GLU A 69 -11.071 2.398 -9.768 1.00 0.00 C ATOM 1088 CG GLU A 69 -11.682 1.249 -8.982 1.00 0.00 C ATOM 1089 CD GLU A 69 -12.436 0.274 -9.866 1.00 0.00 C ATOM 1090 OE1 GLU A 69 -13.420 0.694 -10.509 1.00 0.00 O ATOM 1091 OE2 GLU A 69 -12.040 -0.909 -9.914 1.00 0.00 O ATOM 0 H GLU A 69 -9.055 2.104 -8.365 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.304 4.389 -9.504 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.827 2.814 -10.434 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.270 2.011 -10.397 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.893 0.717 -8.451 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -12.360 1.649 -8.228 1.00 0.00 H new ATOM 1098 N LEU A 70 -11.546 3.191 -6.714 1.00 0.00 N ATOM 1099 CA LEU A 70 -12.483 3.463 -5.629 1.00 0.00 C ATOM 1100 C LEU A 70 -12.105 4.743 -4.890 1.00 0.00 C ATOM 1101 O LEU A 70 -12.971 5.532 -4.510 1.00 0.00 O ATOM 1102 CB LEU A 70 -12.515 2.287 -4.650 1.00 0.00 C ATOM 1103 CG LEU A 70 -11.519 2.350 -3.492 1.00 0.00 C ATOM 1104 CD1 LEU A 70 -12.001 3.321 -2.426 1.00 0.00 C ATOM 1105 CD2 LEU A 70 -11.304 0.966 -2.898 1.00 0.00 C ATOM 0 H LEU A 70 -10.907 2.416 -6.535 1.00 0.00 H new ATOM 0 HA LEU A 70 -13.474 3.595 -6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -13.520 2.213 -4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -12.333 1.369 -5.210 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.565 2.710 -3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.279 3.353 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.103 4.316 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -12.967 2.991 -2.044 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.592 1.030 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.253 0.578 -2.528 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.913 0.298 -3.665 1.00 0.00 H new ATOM 1117 N LEU A 71 -10.807 4.944 -4.693 1.00 0.00 N ATOM 1118 CA LEU A 71 -10.313 6.130 -4.002 1.00 0.00 C ATOM 1119 C LEU A 71 -10.768 7.402 -4.711 1.00 0.00 C ATOM 1120 O LEU A 71 -11.325 8.306 -4.088 1.00 0.00 O ATOM 1121 CB LEU A 71 -8.786 6.098 -3.919 1.00 0.00 C ATOM 1122 CG LEU A 71 -8.089 7.456 -3.839 1.00 0.00 C ATOM 1123 CD1 LEU A 71 -8.479 8.182 -2.561 1.00 0.00 C ATOM 1124 CD2 LEU A 71 -6.579 7.286 -3.918 1.00 0.00 C ATOM 0 H LEU A 71 -10.078 4.301 -5.002 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.725 6.130 -2.993 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.502 5.514 -3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.406 5.568 -4.792 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.412 8.059 -4.688 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.973 9.147 -2.522 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.558 8.337 -2.545 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.186 7.583 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.099 8.263 -3.860 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.239 6.665 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -6.316 6.808 -4.862 1.00 0.00 H new ATOM 1136 N ASP A 72 -10.528 7.464 -6.016 1.00 0.00 N ATOM 1137 CA ASP A 72 -10.916 8.623 -6.811 1.00 0.00 C ATOM 1138 C ASP A 72 -12.406 8.913 -6.657 1.00 0.00 C ATOM 1139 O ASP A 72 -12.794 9.975 -6.169 1.00 0.00 O ATOM 1140 CB ASP A 72 -10.579 8.394 -8.285 1.00 0.00 C ATOM 1141 CG ASP A 72 -10.414 9.692 -9.050 1.00 0.00 C ATOM 1142 OD1 ASP A 72 -11.378 10.485 -9.086 1.00 0.00 O ATOM 1143 OD2 ASP A 72 -9.322 9.915 -9.614 1.00 0.00 O ATOM 0 H ASP A 72 -10.066 6.725 -6.546 1.00 0.00 H new ATOM 0 HA ASP A 72 -10.356 9.485 -6.448 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.660 7.813 -8.358 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -11.368 7.801 -8.747 1.00 0.00 H new ATOM 1148 N ARG A 73 -13.236 7.964 -7.078 1.00 0.00 N ATOM 1149 CA ARG A 73 -14.682 8.119 -6.989 1.00 0.00 C ATOM 1150 C ARG A 73 -15.102 8.498 -5.572 1.00 0.00 C ATOM 1151 O ARG A 73 -15.983 9.336 -5.378 1.00 0.00 O ATOM 1152 CB ARG A 73 -15.382 6.826 -7.411 1.00 0.00 C ATOM 1153 CG ARG A 73 -15.183 5.678 -6.434 1.00 0.00 C ATOM 1154 CD ARG A 73 -15.935 4.433 -6.877 1.00 0.00 C ATOM 1155 NE ARG A 73 -17.382 4.607 -6.787 1.00 0.00 N ATOM 1156 CZ ARG A 73 -18.259 3.738 -7.277 1.00 0.00 C ATOM 1157 NH1 ARG A 73 -17.837 2.639 -7.887 1.00 0.00 N ATOM 1158 NH2 ARG A 73 -19.560 3.966 -7.156 1.00 0.00 N ATOM 0 H ARG A 73 -12.931 7.079 -7.484 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.978 8.922 -7.664 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.449 7.019 -7.519 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -15.012 6.526 -8.391 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.120 5.451 -6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -15.525 5.978 -5.444 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.662 4.191 -7.904 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.632 3.588 -6.259 1.00 0.00 H new ATOM 0 HE ARG A 73 -17.739 5.442 -6.322 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.837 2.460 -7.981 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.512 1.973 -8.263 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -19.888 4.810 -6.686 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -20.232 3.298 -7.533 1.00 0.00 H new ATOM 1172 N SER A 74 -14.467 7.874 -4.585 1.00 0.00 N ATOM 1173 CA SER A 74 -14.778 8.142 -3.186 1.00 0.00 C ATOM 1174 C SER A 74 -14.616 9.626 -2.868 1.00 0.00 C ATOM 1175 O SER A 74 -13.539 10.196 -3.045 1.00 0.00 O ATOM 1176 CB SER A 74 -13.874 7.312 -2.272 1.00 0.00 C ATOM 1177 OG SER A 74 -14.364 7.301 -0.943 1.00 0.00 O ATOM 0 H SER A 74 -13.734 7.179 -4.728 1.00 0.00 H new ATOM 0 HA SER A 74 -15.816 7.861 -3.010 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.811 6.291 -2.648 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.863 7.720 -2.287 1.00 0.00 H new ATOM 0 HG SER A 74 -14.257 6.404 -0.562 1.00 0.00 H new ATOM 1183 N ILE A 75 -15.694 10.244 -2.398 1.00 0.00 N ATOM 1184 CA ILE A 75 -15.673 11.661 -2.055 1.00 0.00 C ATOM 1185 C ILE A 75 -15.114 11.878 -0.653 1.00 0.00 C ATOM 1186 O ILE A 75 -14.222 12.703 -0.449 1.00 0.00 O ATOM 1187 CB ILE A 75 -17.080 12.281 -2.136 1.00 0.00 C ATOM 1188 CG1 ILE A 75 -17.650 12.123 -3.547 1.00 0.00 C ATOM 1189 CG2 ILE A 75 -17.035 13.749 -1.739 1.00 0.00 C ATOM 1190 CD1 ILE A 75 -19.138 12.380 -3.629 1.00 0.00 C ATOM 0 H ILE A 75 -16.593 9.786 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 75 -15.026 12.152 -2.782 1.00 0.00 H new ATOM 0 HB ILE A 75 -17.733 11.756 -1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -17.133 12.809 -4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -17.444 11.114 -3.903 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -18.037 14.174 -1.801 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -16.666 13.838 -0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -16.370 14.288 -2.414 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -19.474 12.250 -4.658 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -19.665 11.677 -2.984 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -19.350 13.399 -3.304 1.00 0.00 H new ATOM 1202 N HIS A 76 -15.642 11.131 0.312 1.00 0.00 N ATOM 1203 CA HIS A 76 -15.194 11.240 1.695 1.00 0.00 C ATOM 1204 C HIS A 76 -13.709 10.911 1.813 1.00 0.00 C ATOM 1205 O HIS A 76 -12.961 11.611 2.495 1.00 0.00 O ATOM 1206 CB HIS A 76 -16.008 10.306 2.592 1.00 0.00 C ATOM 1207 CG HIS A 76 -16.243 8.954 1.992 1.00 0.00 C ATOM 1208 ND1 HIS A 76 -17.077 8.557 1.003 1.00 0.00 N flip ATOM 1209 CD2 HIS A 76 -15.577 7.820 2.408 1.00 0.00 C flip ATOM 1210 CE1 HIS A 76 -16.901 7.205 0.840 1.00 0.00 C flip ATOM 1211 NE2 HIS A 76 -15.990 6.785 1.699 1.00 0.00 N flip ATOM 0 H HIS A 76 -16.381 10.444 0.161 1.00 0.00 H new ATOM 0 HA HIS A 76 -15.347 12.269 2.020 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -15.490 10.187 3.544 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -16.970 10.771 2.808 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -14.834 7.784 3.191 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -17.423 6.586 0.125 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.661 5.825 1.798 1.00 0.00 H new ATOM 1220 N MET A 77 -13.290 9.841 1.145 1.00 0.00 N ATOM 1221 CA MET A 77 -11.894 9.420 1.175 1.00 0.00 C ATOM 1222 C MET A 77 -10.999 10.457 0.503 1.00 0.00 C ATOM 1223 O MET A 77 -11.316 10.960 -0.576 1.00 0.00 O ATOM 1224 CB MET A 77 -11.732 8.065 0.484 1.00 0.00 C ATOM 1225 CG MET A 77 -10.491 7.305 0.920 1.00 0.00 C ATOM 1226 SD MET A 77 -10.706 5.516 0.835 1.00 0.00 S ATOM 1227 CE MET A 77 -9.386 5.070 -0.291 1.00 0.00 C ATOM 0 H MET A 77 -13.897 9.250 0.577 1.00 0.00 H new ATOM 0 HA MET A 77 -11.592 9.326 2.218 1.00 0.00 H new ATOM 0 HB2 MET A 77 -12.612 7.455 0.688 1.00 0.00 H new ATOM 0 HB3 MET A 77 -11.694 8.219 -0.594 1.00 0.00 H new ATOM 0 HG2 MET A 77 -9.651 7.596 0.289 1.00 0.00 H new ATOM 0 HG3 MET A 77 -10.236 7.588 1.941 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.972 4.104 -0.002 1.00 0.00 H new ATOM 0 HE2 MET A 77 -9.779 5.008 -1.306 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.603 5.827 -0.251 1.00 0.00 H new ATOM 1237 N LYS A 78 -9.880 10.773 1.146 1.00 0.00 N ATOM 1238 CA LYS A 78 -8.939 11.749 0.611 1.00 0.00 C ATOM 1239 C LYS A 78 -7.808 11.056 -0.144 1.00 0.00 C ATOM 1240 O LYS A 78 -7.547 11.363 -1.307 1.00 0.00 O ATOM 1241 CB LYS A 78 -8.362 12.605 1.740 1.00 0.00 C ATOM 1242 CG LYS A 78 -9.185 13.845 2.044 1.00 0.00 C ATOM 1243 CD LYS A 78 -10.289 13.551 3.045 1.00 0.00 C ATOM 1244 CE LYS A 78 -10.987 14.825 3.496 1.00 0.00 C ATOM 1245 NZ LYS A 78 -12.022 14.554 4.532 1.00 0.00 N ATOM 0 H LYS A 78 -9.603 10.367 2.039 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.478 12.392 -0.085 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.287 11.999 2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.349 12.907 1.474 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -8.535 14.627 2.437 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.622 14.228 1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.017 12.875 2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -9.869 13.039 3.911 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.249 15.522 3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.451 15.308 2.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.474 15.447 4.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.740 13.909 4.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -11.575 14.116 5.363 1.00 0.00 H new ATOM 1259 N SER A 79 -7.142 10.121 0.525 1.00 0.00 N ATOM 1260 CA SER A 79 -6.038 9.386 -0.083 1.00 0.00 C ATOM 1261 C SER A 79 -6.163 7.891 0.194 1.00 0.00 C ATOM 1262 O SER A 79 -7.044 7.457 0.937 1.00 0.00 O ATOM 1263 CB SER A 79 -4.700 9.905 0.448 1.00 0.00 C ATOM 1264 OG SER A 79 -4.686 9.922 1.865 1.00 0.00 O ATOM 0 H SER A 79 -7.347 9.854 1.488 1.00 0.00 H new ATOM 0 HA SER A 79 -6.079 9.542 -1.161 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.890 9.275 0.081 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.519 10.910 0.067 1.00 0.00 H new ATOM 0 HG SER A 79 -3.820 10.256 2.180 1.00 0.00 H new ATOM 1270 N LEU A 80 -5.275 7.109 -0.410 1.00 0.00 N ATOM 1271 CA LEU A 80 -5.284 5.661 -0.230 1.00 0.00 C ATOM 1272 C LEU A 80 -4.482 5.260 1.004 1.00 0.00 C ATOM 1273 O LEU A 80 -3.256 5.155 0.953 1.00 0.00 O ATOM 1274 CB LEU A 80 -4.715 4.970 -1.470 1.00 0.00 C ATOM 1275 CG LEU A 80 -4.818 3.444 -1.495 1.00 0.00 C ATOM 1276 CD1 LEU A 80 -6.260 3.010 -1.705 1.00 0.00 C ATOM 1277 CD2 LEU A 80 -3.921 2.867 -2.581 1.00 0.00 C ATOM 0 H LEU A 80 -4.540 7.453 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.317 5.344 -0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.228 5.363 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.664 5.245 -1.565 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.482 3.060 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -6.314 1.921 -1.720 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.877 3.393 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.624 3.404 -2.654 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.007 1.780 -2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.227 3.258 -3.551 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.886 3.149 -2.386 1.00 0.00 H new ATOM 1289 N LYS A 81 -5.181 5.036 2.111 1.00 0.00 N ATOM 1290 CA LYS A 81 -4.536 4.643 3.358 1.00 0.00 C ATOM 1291 C LYS A 81 -3.844 3.292 3.210 1.00 0.00 C ATOM 1292 O LYS A 81 -4.490 2.281 2.934 1.00 0.00 O ATOM 1293 CB LYS A 81 -5.563 4.582 4.491 1.00 0.00 C ATOM 1294 CG LYS A 81 -4.960 4.232 5.840 1.00 0.00 C ATOM 1295 CD LYS A 81 -5.844 4.699 6.984 1.00 0.00 C ATOM 1296 CE LYS A 81 -5.287 4.266 8.332 1.00 0.00 C ATOM 1297 NZ LYS A 81 -6.355 4.157 9.364 1.00 0.00 N ATOM 0 H LYS A 81 -6.196 5.120 2.170 1.00 0.00 H new ATOM 0 HA LYS A 81 -3.782 5.392 3.600 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.066 5.546 4.566 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -6.325 3.844 4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.817 3.154 5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.975 4.691 5.929 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.932 5.785 6.957 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -6.848 4.295 6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -4.785 3.304 8.226 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.535 4.983 8.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.935 3.860 10.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -6.817 5.081 9.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.059 3.454 9.062 1.00 0.00 H new ATOM 1311 N ILE A 82 -2.529 3.281 3.398 1.00 0.00 N ATOM 1312 CA ILE A 82 -1.752 2.053 3.288 1.00 0.00 C ATOM 1313 C ILE A 82 -1.102 1.693 4.620 1.00 0.00 C ATOM 1314 O ILE A 82 -0.766 2.570 5.417 1.00 0.00 O ATOM 1315 CB ILE A 82 -0.657 2.174 2.212 1.00 0.00 C ATOM 1316 CG1 ILE A 82 -1.281 2.491 0.851 1.00 0.00 C ATOM 1317 CG2 ILE A 82 0.160 0.893 2.141 1.00 0.00 C ATOM 1318 CD1 ILE A 82 -1.997 1.314 0.227 1.00 0.00 C ATOM 0 H ILE A 82 -1.979 4.109 3.627 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.447 1.264 3.000 1.00 0.00 H new ATOM 0 HB ILE A 82 0.010 2.992 2.484 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.985 3.315 0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.499 2.832 0.172 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.930 0.994 1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.630 0.707 3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.494 0.058 1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -2.415 1.611 -0.735 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.292 0.496 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.801 0.986 0.886 1.00 0.00 H new ATOM 1330 N LEU A 83 -0.927 0.397 4.854 1.00 0.00 N ATOM 1331 CA LEU A 83 -0.315 -0.081 6.090 1.00 0.00 C ATOM 1332 C LEU A 83 0.848 -1.022 5.793 1.00 0.00 C ATOM 1333 O LEU A 83 0.647 -2.160 5.366 1.00 0.00 O ATOM 1334 CB LEU A 83 -1.355 -0.794 6.954 1.00 0.00 C ATOM 1335 CG LEU A 83 -2.389 0.102 7.638 1.00 0.00 C ATOM 1336 CD1 LEU A 83 -1.720 0.995 8.671 1.00 0.00 C ATOM 1337 CD2 LEU A 83 -3.133 0.939 6.608 1.00 0.00 C ATOM 0 H LEU A 83 -1.200 -0.341 4.205 1.00 0.00 H new ATOM 0 HA LEU A 83 0.070 0.782 6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.884 -1.514 6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.831 -1.362 7.723 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.111 -0.534 8.150 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -2.471 1.626 9.148 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.233 0.377 9.425 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.976 1.623 8.181 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.865 1.570 7.112 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.424 1.566 6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.644 0.281 5.905 1.00 0.00 H new ATOM 1349 N LEU A 84 2.065 -0.541 6.023 1.00 0.00 N ATOM 1350 CA LEU A 84 3.261 -1.341 5.782 1.00 0.00 C ATOM 1351 C LEU A 84 3.445 -2.389 6.875 1.00 0.00 C ATOM 1352 O LEU A 84 3.490 -2.064 8.061 1.00 0.00 O ATOM 1353 CB LEU A 84 4.495 -0.439 5.713 1.00 0.00 C ATOM 1354 CG LEU A 84 4.475 0.644 4.634 1.00 0.00 C ATOM 1355 CD1 LEU A 84 5.712 1.523 4.736 1.00 0.00 C ATOM 1356 CD2 LEU A 84 4.377 0.017 3.250 1.00 0.00 C ATOM 0 H LEU A 84 2.250 0.398 6.376 1.00 0.00 H new ATOM 0 HA LEU A 84 3.139 -1.855 4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 84 4.622 0.044 6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.371 -1.067 5.553 1.00 0.00 H new ATOM 0 HG LEU A 84 3.596 1.269 4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.680 2.288 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.739 2.001 5.715 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.605 0.911 4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 84 4.364 0.803 2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.236 -0.633 3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.460 -0.569 3.180 1.00 0.00 H new ATOM 1368 N VAL A 85 3.552 -3.650 6.466 1.00 0.00 N ATOM 1369 CA VAL A 85 3.734 -4.746 7.410 1.00 0.00 C ATOM 1370 C VAL A 85 5.014 -5.519 7.114 1.00 0.00 C ATOM 1371 O VAL A 85 5.202 -6.028 6.009 1.00 0.00 O ATOM 1372 CB VAL A 85 2.540 -5.719 7.376 1.00 0.00 C ATOM 1373 CG1 VAL A 85 2.758 -6.865 8.353 1.00 0.00 C ATOM 1374 CG2 VAL A 85 1.245 -4.984 7.684 1.00 0.00 C ATOM 0 H VAL A 85 3.516 -3.937 5.488 1.00 0.00 H new ATOM 0 HA VAL A 85 3.803 -4.301 8.403 1.00 0.00 H new ATOM 0 HB VAL A 85 2.463 -6.138 6.373 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.905 -7.542 8.316 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.664 -7.407 8.082 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.862 -6.468 9.363 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.412 -5.687 7.656 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.308 -4.536 8.676 1.00 0.00 H new ATOM 0 HG23 VAL A 85 1.085 -4.202 6.942 1.00 0.00 H new ATOM 1384 N ILE A 86 5.891 -5.603 8.108 1.00 0.00 N ATOM 1385 CA ILE A 86 7.154 -6.315 7.955 1.00 0.00 C ATOM 1386 C ILE A 86 6.923 -7.747 7.483 1.00 0.00 C ATOM 1387 O ILE A 86 6.463 -8.596 8.245 1.00 0.00 O ATOM 1388 CB ILE A 86 7.948 -6.344 9.274 1.00 0.00 C ATOM 1389 CG1 ILE A 86 8.131 -4.924 9.815 1.00 0.00 C ATOM 1390 CG2 ILE A 86 9.298 -7.014 9.065 1.00 0.00 C ATOM 1391 CD1 ILE A 86 8.890 -4.013 8.877 1.00 0.00 C ATOM 0 H ILE A 86 5.750 -5.187 9.029 1.00 0.00 H new ATOM 0 HA ILE A 86 7.732 -5.775 7.205 1.00 0.00 H new ATOM 0 HB ILE A 86 7.386 -6.923 10.007 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.151 -4.491 10.015 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.659 -4.972 10.768 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.847 -7.027 10.006 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.147 -8.037 8.719 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.868 -6.459 8.320 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.982 -3.024 9.325 1.00 0.00 H new ATOM 0 HD12 ILE A 86 9.884 -4.423 8.696 1.00 0.00 H new ATOM 0 HD13 ILE A 86 8.353 -3.934 7.932 1.00 0.00 H new