USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 531 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 5 THR OG1 : rot -78:sc= 1.19 USER MOD Set 1.2: A 8 GLN : amide:sc= 1 X(o=2.2,f=1.8) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HE2:sc=-0.00583 K(o=-0.0058,f=-0.82) USER MOD Single : A 20 SER OG : rot -26:sc= 0.33 USER MOD Single : A 21 GLN : amide:sc= -0.21 K(o=-0.21,f=-2.4!) USER MOD Single : A 22 THR OG1 : rot -8:sc= 1.18 USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -74:sc= 1.5 USER MOD Single : A 33 GLN : amide:sc= 0.428 K(o=0.43,f=-5!) USER MOD Single : A 39 SER OG : rot 16:sc= 1.24 USER MOD Single : A 41 ASN : amide:sc= 0.079 X(o=0.079,f=0) USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 4 -10.200 -3.429 -9.710 1.00 0.00 N ATOM 51 CA LEU A 4 -9.567 -3.221 -8.392 1.00 0.00 C ATOM 52 C LEU A 4 -10.598 -3.434 -7.239 1.00 0.00 C ATOM 53 O LEU A 4 -11.750 -2.992 -7.301 1.00 0.00 O ATOM 54 CB LEU A 4 -9.031 -1.768 -8.440 1.00 0.00 C ATOM 55 CG LEU A 4 -8.281 -1.280 -7.189 1.00 0.00 C ATOM 56 CD1 LEU A 4 -6.876 -1.878 -7.087 1.00 0.00 C ATOM 57 CD2 LEU A 4 -8.162 0.247 -7.220 1.00 0.00 C ATOM 0 HA LEU A 4 -8.766 -3.933 -8.193 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.364 -1.677 -9.297 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.872 -1.098 -8.618 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.855 -1.606 -6.322 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -6.386 -1.504 -6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.946 -2.965 -7.037 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.294 -1.592 -7.963 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.630 0.589 -6.332 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.613 0.551 -8.111 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.158 0.689 -7.239 1.00 0.00 H new ATOM 69 N THR A 5 -10.145 -4.086 -6.168 1.00 0.00 N ATOM 70 CA THR A 5 -10.970 -4.247 -4.938 1.00 0.00 C ATOM 71 C THR A 5 -10.934 -2.965 -4.033 1.00 0.00 C ATOM 72 O THR A 5 -9.902 -2.298 -3.904 1.00 0.00 O ATOM 73 CB THR A 5 -10.580 -5.503 -4.094 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.262 -5.417 -3.568 1.00 0.00 O ATOM 75 CG2 THR A 5 -10.677 -6.832 -4.835 1.00 0.00 C ATOM 0 H THR A 5 -9.221 -4.514 -6.112 1.00 0.00 H new ATOM 0 HA THR A 5 -11.988 -4.396 -5.297 1.00 0.00 H new ATOM 0 HB THR A 5 -11.325 -5.494 -3.298 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.614 -5.626 -4.273 1.00 0.00 H new ATOM 0 HG21 THR A 5 -10.387 -7.643 -4.167 1.00 0.00 H new ATOM 0 HG22 THR A 5 -11.702 -6.988 -5.171 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.011 -6.817 -5.698 1.00 0.00 H new ATOM 83 N ALA A 6 -12.052 -2.657 -3.360 1.00 0.00 N ATOM 84 CA ALA A 6 -12.123 -1.515 -2.406 1.00 0.00 C ATOM 85 C ALA A 6 -11.107 -1.491 -1.207 1.00 0.00 C ATOM 86 O ALA A 6 -10.689 -0.406 -0.795 1.00 0.00 O ATOM 87 CB ALA A 6 -13.575 -1.454 -1.909 1.00 0.00 C ATOM 0 H ALA A 6 -12.925 -3.176 -3.451 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.811 -0.630 -2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.684 -0.630 -1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.243 -1.297 -2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.830 -2.391 -1.415 1.00 0.00 H new ATOM 93 N ARG A 7 -10.701 -2.654 -0.676 1.00 0.00 N ATOM 94 CA ARG A 7 -9.557 -2.752 0.268 1.00 0.00 C ATOM 95 C ARG A 7 -8.128 -2.538 -0.359 1.00 0.00 C ATOM 96 O ARG A 7 -7.311 -1.884 0.291 1.00 0.00 O ATOM 97 CB ARG A 7 -9.620 -4.088 1.032 1.00 0.00 C ATOM 98 CG ARG A 7 -10.738 -4.252 2.083 1.00 0.00 C ATOM 99 CD ARG A 7 -10.671 -3.251 3.249 1.00 0.00 C ATOM 100 NE ARG A 7 -10.886 -3.939 4.542 1.00 0.00 N ATOM 101 CZ ARG A 7 -10.633 -3.417 5.736 1.00 0.00 C ATOM 102 NH1 ARG A 7 -10.217 -2.200 5.942 1.00 0.00 N ATOM 103 NH2 ARG A 7 -10.801 -4.174 6.764 1.00 0.00 N ATOM 0 H ARG A 7 -11.145 -3.549 -0.880 1.00 0.00 H new ATOM 0 HA ARG A 7 -9.679 -1.909 0.948 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -9.725 -4.890 0.301 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -8.663 -4.236 1.532 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -11.703 -4.148 1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -10.694 -5.264 2.487 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.701 -2.754 3.253 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -11.426 -2.476 3.114 1.00 0.00 H new ATOM 0 HE ARG A 7 -11.258 -4.888 4.513 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.063 -1.573 5.152 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -10.045 -1.874 6.893 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -11.117 -5.136 6.643 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -10.618 -3.812 7.700 1.00 0.00 H new ATOM 116 N GLN A 8 -7.831 -3.007 -1.588 1.00 0.00 N ATOM 117 CA GLN A 8 -6.634 -2.530 -2.349 1.00 0.00 C ATOM 118 C GLN A 8 -6.591 -0.966 -2.596 1.00 0.00 C ATOM 119 O GLN A 8 -5.551 -0.358 -2.347 1.00 0.00 O ATOM 120 CB GLN A 8 -6.543 -3.222 -3.729 1.00 0.00 C ATOM 121 CG GLN A 8 -6.124 -4.701 -3.743 1.00 0.00 C ATOM 122 CD GLN A 8 -6.306 -5.311 -5.129 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.375 -5.802 -5.473 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.318 -5.254 -5.982 1.00 0.00 N ATOM 0 H GLN A 8 -8.388 -3.706 -2.079 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.790 -2.792 -1.711 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.516 -3.141 -4.213 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -5.835 -2.664 -4.342 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.081 -4.790 -3.438 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.717 -5.257 -3.017 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.426 -4.847 -5.702 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.439 -5.617 -6.928 1.00 0.00 H new ATOM 133 N GLN A 9 -7.698 -0.339 -3.032 1.00 0.00 N ATOM 134 CA GLN A 9 -7.813 1.147 -3.100 1.00 0.00 C ATOM 135 C GLN A 9 -7.525 1.911 -1.763 1.00 0.00 C ATOM 136 O GLN A 9 -6.725 2.845 -1.778 1.00 0.00 O ATOM 137 CB GLN A 9 -9.193 1.478 -3.711 1.00 0.00 C ATOM 138 CG GLN A 9 -9.436 2.961 -4.072 1.00 0.00 C ATOM 139 CD GLN A 9 -8.512 3.559 -5.121 1.00 0.00 C ATOM 140 OE1 GLN A 9 -8.691 3.386 -6.320 1.00 0.00 O ATOM 141 NE2 GLN A 9 -7.498 4.282 -4.722 1.00 0.00 N ATOM 0 H GLN A 9 -8.534 -0.832 -3.346 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.012 1.520 -3.738 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.322 0.879 -4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -9.964 1.165 -3.007 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.463 3.064 -4.422 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.349 3.554 -3.161 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.340 4.432 -3.726 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -6.865 4.695 -5.407 1.00 0.00 H new ATOM 150 N GLU A 10 -8.099 1.484 -0.629 1.00 0.00 N ATOM 151 CA GLU A 10 -7.699 1.958 0.728 1.00 0.00 C ATOM 152 C GLU A 10 -6.171 1.841 1.083 1.00 0.00 C ATOM 153 O GLU A 10 -5.589 2.825 1.545 1.00 0.00 O ATOM 154 CB GLU A 10 -8.556 1.178 1.762 1.00 0.00 C ATOM 155 CG GLU A 10 -10.049 1.566 1.766 1.00 0.00 C ATOM 156 CD GLU A 10 -10.908 0.607 2.570 1.00 0.00 C ATOM 157 OE1 GLU A 10 -10.964 0.606 3.794 1.00 0.00 O ATOM 158 OE2 GLU A 10 -11.589 -0.259 1.767 1.00 0.00 O ATOM 0 H GLU A 10 -8.855 0.800 -0.614 1.00 0.00 H new ATOM 0 HA GLU A 10 -7.881 3.032 0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.470 0.111 1.557 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.146 1.346 2.758 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.157 2.571 2.174 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.413 1.598 0.739 1.00 0.00 H new ATOM 166 N VAL A 11 -5.530 0.688 0.822 1.00 0.00 N ATOM 167 CA VAL A 11 -4.037 0.548 0.890 1.00 0.00 C ATOM 168 C VAL A 11 -3.267 1.537 -0.065 1.00 0.00 C ATOM 169 O VAL A 11 -2.348 2.213 0.402 1.00 0.00 O ATOM 170 CB VAL A 11 -3.617 -0.949 0.692 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.088 -1.179 0.747 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.204 -1.892 1.767 1.00 0.00 C ATOM 0 H VAL A 11 -6.012 -0.172 0.560 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.730 0.850 1.892 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.011 -1.176 -0.299 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.874 -2.238 0.602 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.604 -0.600 -0.040 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.707 -0.861 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.876 -2.913 1.573 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.858 -1.580 2.753 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.293 -1.848 1.734 1.00 0.00 H new ATOM 182 N PHE A 12 -3.656 1.657 -1.346 1.00 0.00 N ATOM 183 CA PHE A 12 -3.110 2.697 -2.261 1.00 0.00 C ATOM 184 C PHE A 12 -3.293 4.191 -1.810 1.00 0.00 C ATOM 185 O PHE A 12 -2.323 4.951 -1.851 1.00 0.00 O ATOM 186 CB PHE A 12 -3.670 2.416 -3.683 1.00 0.00 C ATOM 187 CG PHE A 12 -2.853 3.102 -4.783 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.590 2.604 -5.123 1.00 0.00 C ATOM 189 CD2 PHE A 12 -3.322 4.259 -5.424 1.00 0.00 C ATOM 190 CE1 PHE A 12 -0.806 3.258 -6.066 1.00 0.00 C ATOM 191 CE2 PHE A 12 -2.546 4.895 -6.394 1.00 0.00 C ATOM 192 CZ PHE A 12 -1.285 4.400 -6.706 1.00 0.00 C ATOM 0 H PHE A 12 -4.349 1.048 -1.781 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.024 2.605 -2.244 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.680 1.340 -3.860 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.704 2.757 -3.737 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.222 1.706 -4.650 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.291 4.660 -5.165 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.177 2.880 -6.304 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.924 5.770 -6.901 1.00 0.00 H new ATOM 0 HZ PHE A 12 -0.676 4.900 -7.445 1.00 0.00 H new ATOM 202 N ASP A 13 -4.487 4.591 -1.349 1.00 0.00 N ATOM 203 CA ASP A 13 -4.712 5.919 -0.719 1.00 0.00 C ATOM 204 C ASP A 13 -3.871 6.221 0.582 1.00 0.00 C ATOM 205 O ASP A 13 -3.419 7.356 0.730 1.00 0.00 O ATOM 206 CB ASP A 13 -6.214 6.133 -0.424 1.00 0.00 C ATOM 207 CG ASP A 13 -7.168 6.118 -1.608 1.00 0.00 C ATOM 208 OD1 ASP A 13 -8.156 5.394 -1.659 1.00 0.00 O ATOM 209 OD2 ASP A 13 -6.818 6.998 -2.589 1.00 0.00 O ATOM 0 H ASP A 13 -5.326 4.013 -1.398 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.350 6.628 -1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.533 5.361 0.276 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.324 7.090 0.086 1.00 0.00 H new ATOM 215 N LEU A 14 -3.624 5.245 1.473 1.00 0.00 N ATOM 216 CA LEU A 14 -2.615 5.403 2.562 1.00 0.00 C ATOM 217 C LEU A 14 -1.119 5.547 2.091 1.00 0.00 C ATOM 218 O LEU A 14 -0.394 6.368 2.654 1.00 0.00 O ATOM 219 CB LEU A 14 -2.785 4.243 3.577 1.00 0.00 C ATOM 220 CG LEU A 14 -2.136 4.522 4.955 1.00 0.00 C ATOM 221 CD1 LEU A 14 -3.027 5.417 5.821 1.00 0.00 C ATOM 222 CD2 LEU A 14 -1.844 3.223 5.704 1.00 0.00 C ATOM 0 H LEU A 14 -4.099 4.342 1.470 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.822 6.364 3.033 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.848 4.049 3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.349 3.337 3.156 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.196 5.040 4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.542 5.593 6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.187 6.369 5.315 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.987 4.927 5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.389 3.453 6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.774 2.678 5.863 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.160 2.610 5.117 1.00 0.00 H new ATOM 234 N ILE A 15 -0.676 4.801 1.069 1.00 0.00 N ATOM 235 CA ILE A 15 0.652 5.020 0.396 1.00 0.00 C ATOM 236 C ILE A 15 0.818 6.466 -0.217 1.00 0.00 C ATOM 237 O ILE A 15 1.841 7.109 0.031 1.00 0.00 O ATOM 238 CB ILE A 15 0.923 3.852 -0.623 1.00 0.00 C ATOM 239 CG1 ILE A 15 0.985 2.457 0.080 1.00 0.00 C ATOM 240 CG2 ILE A 15 2.242 4.036 -1.413 1.00 0.00 C ATOM 241 CD1 ILE A 15 0.690 1.278 -0.844 1.00 0.00 C ATOM 0 H ILE A 15 -1.211 4.028 0.673 1.00 0.00 H new ATOM 0 HA ILE A 15 1.433 4.984 1.155 1.00 0.00 H new ATOM 0 HB ILE A 15 0.079 3.889 -1.312 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.976 2.325 0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.272 2.446 0.904 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.375 3.200 -2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.201 4.967 -1.979 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.081 4.071 -0.718 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.753 0.348 -0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.312 1.383 -1.259 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.418 1.260 -1.655 1.00 0.00 H new ATOM 253 N ARG A 16 -0.194 6.981 -0.932 1.00 0.00 N ATOM 254 CA ARG A 16 -0.319 8.433 -1.252 1.00 0.00 C ATOM 255 C ARG A 16 -0.282 9.414 -0.021 1.00 0.00 C ATOM 256 O ARG A 16 0.515 10.351 -0.029 1.00 0.00 O ATOM 257 CB ARG A 16 -1.635 8.624 -2.051 1.00 0.00 C ATOM 258 CG ARG A 16 -1.574 8.180 -3.522 1.00 0.00 C ATOM 259 CD ARG A 16 -2.901 7.670 -4.100 1.00 0.00 C ATOM 260 NE ARG A 16 -3.999 8.658 -4.035 1.00 0.00 N ATOM 261 CZ ARG A 16 -5.113 8.615 -4.745 1.00 0.00 C ATOM 262 NH1 ARG A 16 -5.413 7.676 -5.595 1.00 0.00 N ATOM 263 NH2 ARG A 16 -5.960 9.570 -4.571 1.00 0.00 N ATOM 0 H ARG A 16 -0.953 6.414 -1.309 1.00 0.00 H new ATOM 0 HA ARG A 16 0.566 8.704 -1.827 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.429 8.068 -1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.913 9.677 -2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.231 9.020 -4.126 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.827 7.392 -3.618 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.746 7.380 -5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.200 6.772 -3.560 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.887 9.438 -3.388 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -4.766 6.903 -5.750 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -6.295 7.714 -6.106 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.757 10.317 -3.907 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -6.834 9.579 -5.097 1.00 0.00 H new ATOM 276 N ASP A 17 -1.102 9.186 1.018 1.00 0.00 N ATOM 277 CA ASP A 17 -1.096 10.008 2.263 1.00 0.00 C ATOM 278 C ASP A 17 0.242 10.024 3.078 1.00 0.00 C ATOM 279 O ASP A 17 0.576 11.077 3.615 1.00 0.00 O ATOM 280 CB ASP A 17 -2.281 9.516 3.121 1.00 0.00 C ATOM 281 CG ASP A 17 -2.792 10.375 4.274 1.00 0.00 C ATOM 282 OD1 ASP A 17 -3.888 10.177 4.784 1.00 0.00 O ATOM 283 OD2 ASP A 17 -1.927 11.351 4.688 1.00 0.00 O ATOM 0 H ASP A 17 -1.789 8.432 1.030 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.196 11.053 1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -3.120 9.344 2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.002 8.548 3.536 1.00 0.00 H new ATOM 289 N HIS A 18 0.956 8.906 3.214 1.00 0.00 N ATOM 290 CA HIS A 18 2.303 8.854 3.857 1.00 0.00 C ATOM 291 C HIS A 18 3.425 9.618 3.094 1.00 0.00 C ATOM 292 O HIS A 18 4.101 10.453 3.702 1.00 0.00 O ATOM 293 CB HIS A 18 2.599 7.359 4.140 1.00 0.00 C ATOM 294 CG HIS A 18 2.065 6.916 5.516 1.00 0.00 C ATOM 295 ND1 HIS A 18 2.892 6.711 6.611 1.00 0.00 N ATOM 296 CD2 HIS A 18 0.712 6.821 5.902 1.00 0.00 C ATOM 297 CE1 HIS A 18 1.941 6.529 7.580 1.00 0.00 C ATOM 298 NE2 HIS A 18 0.617 6.551 7.246 1.00 0.00 N ATOM 0 H HIS A 18 0.629 7.998 2.885 1.00 0.00 H new ATOM 0 HA HIS A 18 2.291 9.411 4.794 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.146 6.746 3.361 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.675 7.188 4.096 1.00 0.00 H new ATOM 0 HD1 HIS A 18 3.910 6.699 6.676 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.130 6.943 5.236 1.00 0.00 H new ATOM 0 HE1 HIS A 18 2.238 6.368 8.606 1.00 0.00 H new ATOM 306 N ILE A 19 3.557 9.426 1.773 1.00 0.00 N ATOM 307 CA ILE A 19 4.415 10.301 0.905 1.00 0.00 C ATOM 308 C ILE A 19 4.012 11.827 0.964 1.00 0.00 C ATOM 309 O ILE A 19 4.893 12.665 1.157 1.00 0.00 O ATOM 310 CB ILE A 19 4.456 9.688 -0.537 1.00 0.00 C ATOM 311 CG1 ILE A 19 5.162 8.296 -0.600 1.00 0.00 C ATOM 312 CG2 ILE A 19 5.051 10.608 -1.627 1.00 0.00 C ATOM 313 CD1 ILE A 19 6.671 8.266 -0.369 1.00 0.00 C ATOM 0 H ILE A 19 3.087 8.676 1.266 1.00 0.00 H new ATOM 0 HA ILE A 19 5.434 10.311 1.293 1.00 0.00 H new ATOM 0 HB ILE A 19 3.397 9.564 -0.765 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.694 7.647 0.140 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.962 7.860 -1.579 1.00 0.00 H new ATOM 0 HG21 ILE A 19 5.034 10.092 -2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.459 11.521 -1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 19 6.079 10.860 -1.368 1.00 0.00 H new ATOM 0 HD11 ILE A 19 7.030 7.239 -0.441 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.167 8.877 -1.123 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.895 8.660 0.622 1.00 0.00 H new ATOM 325 N SER A 20 2.718 12.173 0.858 1.00 0.00 N ATOM 326 CA SER A 20 2.237 13.571 1.022 1.00 0.00 C ATOM 327 C SER A 20 2.272 14.235 2.450 1.00 0.00 C ATOM 328 O SER A 20 2.089 15.453 2.517 1.00 0.00 O ATOM 329 CB SER A 20 0.789 13.612 0.465 1.00 0.00 C ATOM 330 OG SER A 20 0.305 14.955 0.372 1.00 0.00 O ATOM 0 H SER A 20 1.975 11.504 0.658 1.00 0.00 H new ATOM 0 HA SER A 20 2.963 14.179 0.482 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.763 13.145 -0.519 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.132 13.030 1.112 1.00 0.00 H new ATOM 0 HG SER A 20 0.770 15.516 1.027 1.00 0.00 H new ATOM 336 N GLN A 21 2.485 13.499 3.551 1.00 0.00 N ATOM 337 CA GLN A 21 2.731 14.111 4.894 1.00 0.00 C ATOM 338 C GLN A 21 4.123 14.824 5.055 1.00 0.00 C ATOM 339 O GLN A 21 4.185 15.894 5.663 1.00 0.00 O ATOM 340 CB GLN A 21 2.516 13.034 5.998 1.00 0.00 C ATOM 341 CG GLN A 21 1.026 12.834 6.370 1.00 0.00 C ATOM 342 CD GLN A 21 0.731 11.623 7.242 1.00 0.00 C ATOM 343 OE1 GLN A 21 0.516 11.699 8.445 1.00 0.00 O ATOM 344 NE2 GLN A 21 0.654 10.456 6.662 1.00 0.00 N ATOM 0 H GLN A 21 2.495 12.479 3.553 1.00 0.00 H new ATOM 0 HA GLN A 21 2.005 14.917 5.001 1.00 0.00 H new ATOM 0 HB2 GLN A 21 2.930 12.085 5.657 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.072 13.321 6.891 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.674 13.727 6.886 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.447 12.749 5.450 1.00 0.00 H new ATOM 0 HE21 GLN A 21 0.830 10.372 5.661 1.00 0.00 H new ATOM 0 HE22 GLN A 21 0.418 9.629 7.210 1.00 0.00 H new ATOM 353 N THR A 22 5.218 14.244 4.544 1.00 0.00 N ATOM 354 CA THR A 22 6.521 14.972 4.375 1.00 0.00 C ATOM 355 C THR A 22 7.261 14.370 3.132 1.00 0.00 C ATOM 356 O THR A 22 7.299 14.996 2.073 1.00 0.00 O ATOM 357 CB THR A 22 7.345 15.005 5.694 1.00 0.00 C ATOM 358 OG1 THR A 22 6.621 15.684 6.715 1.00 0.00 O ATOM 359 CG2 THR A 22 8.670 15.752 5.594 1.00 0.00 C ATOM 0 H THR A 22 5.245 13.272 4.235 1.00 0.00 H new ATOM 0 HA THR A 22 6.353 16.029 4.167 1.00 0.00 H new ATOM 0 HB THR A 22 7.533 13.954 5.912 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.820 16.096 6.329 1.00 0.00 H new ATOM 0 HG21 THR A 22 9.177 15.724 6.559 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.299 15.278 4.840 1.00 0.00 H new ATOM 0 HG23 THR A 22 8.483 16.788 5.312 1.00 0.00 H new ATOM 367 N GLY A 23 7.805 13.155 3.261 1.00 0.00 N ATOM 368 CA GLY A 23 8.246 12.346 2.097 1.00 0.00 C ATOM 369 C GLY A 23 8.589 10.887 2.451 1.00 0.00 C ATOM 370 O GLY A 23 9.676 10.411 2.118 1.00 0.00 O ATOM 0 H GLY A 23 7.955 12.700 4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.459 12.352 1.343 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.121 12.817 1.649 1.00 0.00 H new ATOM 374 N MET A 24 7.669 10.192 3.129 1.00 0.00 N ATOM 375 CA MET A 24 7.961 8.913 3.821 1.00 0.00 C ATOM 376 C MET A 24 7.071 7.736 3.326 1.00 0.00 C ATOM 377 O MET A 24 5.848 7.879 3.346 1.00 0.00 O ATOM 378 CB MET A 24 7.872 9.118 5.363 1.00 0.00 C ATOM 379 CG MET A 24 6.503 9.482 5.951 1.00 0.00 C ATOM 380 SD MET A 24 6.622 9.667 7.735 1.00 0.00 S ATOM 381 CE MET A 24 4.885 9.997 8.081 1.00 0.00 C ATOM 0 H MET A 24 6.698 10.493 3.219 1.00 0.00 H new ATOM 0 HA MET A 24 8.980 8.620 3.568 1.00 0.00 H new ATOM 0 HB2 MET A 24 8.212 8.201 5.844 1.00 0.00 H new ATOM 0 HB3 MET A 24 8.576 9.903 5.639 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.143 10.409 5.505 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.776 8.707 5.706 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.749 10.143 9.153 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.573 10.896 7.550 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.281 9.152 7.750 1.00 0.00 H new ATOM 391 N PRO A 25 7.577 6.546 2.918 1.00 0.00 N ATOM 392 CA PRO A 25 6.693 5.357 2.687 1.00 0.00 C ATOM 393 C PRO A 25 6.000 4.779 3.962 1.00 0.00 C ATOM 394 O PRO A 25 6.570 4.913 5.048 1.00 0.00 O ATOM 395 CB PRO A 25 7.679 4.331 2.067 1.00 0.00 C ATOM 396 CG PRO A 25 8.864 5.162 1.541 1.00 0.00 C ATOM 397 CD PRO A 25 8.985 6.316 2.546 1.00 0.00 C ATOM 0 HA PRO A 25 5.838 5.617 2.062 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.008 3.605 2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.206 3.770 1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 25 9.779 4.571 1.500 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.677 5.530 0.532 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.596 6.045 3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.439 7.201 2.099 1.00 0.00 H new ATOM 405 N PRO A 26 4.830 4.095 3.910 1.00 0.00 N ATOM 406 CA PRO A 26 4.285 3.375 5.105 1.00 0.00 C ATOM 407 C PRO A 26 4.962 1.999 5.394 1.00 0.00 C ATOM 408 O PRO A 26 5.595 1.375 4.538 1.00 0.00 O ATOM 409 CB PRO A 26 2.789 3.229 4.712 1.00 0.00 C ATOM 410 CG PRO A 26 2.810 3.108 3.173 1.00 0.00 C ATOM 411 CD PRO A 26 3.927 4.075 2.742 1.00 0.00 C ATOM 0 HA PRO A 26 4.463 3.909 6.038 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.340 2.350 5.174 1.00 0.00 H new ATOM 0 HB3 PRO A 26 2.207 4.092 5.035 1.00 0.00 H new ATOM 0 HG2 PRO A 26 3.021 2.087 2.855 1.00 0.00 H new ATOM 0 HG3 PRO A 26 1.850 3.386 2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 26 4.438 3.725 1.845 1.00 0.00 H new ATOM 0 HD3 PRO A 26 3.536 5.068 2.519 1.00 0.00 H new ATOM 419 N THR A 27 4.775 1.523 6.625 1.00 0.00 N ATOM 420 CA THR A 27 5.090 0.119 7.008 1.00 0.00 C ATOM 421 C THR A 27 3.811 -0.794 6.927 1.00 0.00 C ATOM 422 O THR A 27 2.679 -0.325 7.074 1.00 0.00 O ATOM 423 CB THR A 27 5.679 0.021 8.459 1.00 0.00 C ATOM 424 OG1 THR A 27 4.792 0.550 9.438 1.00 0.00 O ATOM 425 CG2 THR A 27 7.015 0.716 8.665 1.00 0.00 C ATOM 0 H THR A 27 4.404 2.085 7.391 1.00 0.00 H new ATOM 0 HA THR A 27 5.839 -0.228 6.297 1.00 0.00 H new ATOM 0 HB THR A 27 5.823 -1.053 8.581 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.797 1.529 9.389 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.335 0.590 9.699 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.759 0.279 7.999 1.00 0.00 H new ATOM 0 HG23 THR A 27 6.910 1.778 8.445 1.00 0.00 H new ATOM 433 N ARG A 28 4.002 -2.115 6.802 1.00 0.00 N ATOM 434 CA ARG A 28 2.904 -3.112 7.007 1.00 0.00 C ATOM 435 C ARG A 28 2.135 -3.051 8.384 1.00 0.00 C ATOM 436 O ARG A 28 0.913 -3.208 8.392 1.00 0.00 O ATOM 437 CB ARG A 28 3.486 -4.526 6.748 1.00 0.00 C ATOM 438 CG ARG A 28 3.582 -4.878 5.249 1.00 0.00 C ATOM 439 CD ARG A 28 4.304 -6.207 5.003 1.00 0.00 C ATOM 440 NE ARG A 28 4.092 -6.640 3.601 1.00 0.00 N ATOM 441 CZ ARG A 28 4.898 -6.426 2.575 1.00 0.00 C ATOM 442 NH1 ARG A 28 6.018 -5.769 2.641 1.00 0.00 N ATOM 443 NH2 ARG A 28 4.539 -6.904 1.432 1.00 0.00 N ATOM 0 H ARG A 28 4.901 -2.533 6.560 1.00 0.00 H new ATOM 0 HA ARG A 28 2.123 -2.852 6.293 1.00 0.00 H new ATOM 0 HB2 ARG A 28 4.478 -4.591 7.194 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.862 -5.266 7.249 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.579 -4.930 4.826 1.00 0.00 H new ATOM 0 HG3 ARG A 28 4.108 -4.080 4.725 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.370 -6.095 5.202 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.930 -6.967 5.689 1.00 0.00 H new ATOM 0 HE ARG A 28 3.234 -7.157 3.408 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.328 -5.377 3.530 1.00 0.00 H new ATOM 0 HH12 ARG A 28 6.587 -5.645 1.803 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.665 -7.422 1.348 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.129 -6.763 0.612 1.00 0.00 H new ATOM 456 N ALA A 29 2.824 -2.773 9.503 1.00 0.00 N ATOM 457 CA ALA A 29 2.163 -2.401 10.783 1.00 0.00 C ATOM 458 C ALA A 29 1.324 -1.074 10.784 1.00 0.00 C ATOM 459 O ALA A 29 0.212 -1.074 11.312 1.00 0.00 O ATOM 460 CB ALA A 29 3.269 -2.378 11.850 1.00 0.00 C ATOM 0 H ALA A 29 3.842 -2.797 9.556 1.00 0.00 H new ATOM 0 HA ALA A 29 1.394 -3.146 10.985 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.838 -2.109 12.815 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.728 -3.364 11.920 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.026 -1.644 11.574 1.00 0.00 H new ATOM 466 N GLU A 30 1.817 0.020 10.177 1.00 0.00 N ATOM 467 CA GLU A 30 0.986 1.231 9.898 1.00 0.00 C ATOM 468 C GLU A 30 -0.247 1.001 8.948 1.00 0.00 C ATOM 469 O GLU A 30 -1.322 1.513 9.250 1.00 0.00 O ATOM 470 CB GLU A 30 1.890 2.368 9.344 1.00 0.00 C ATOM 471 CG GLU A 30 2.827 2.990 10.401 1.00 0.00 C ATOM 472 CD GLU A 30 3.873 3.931 9.832 1.00 0.00 C ATOM 473 OE1 GLU A 30 3.878 5.143 10.011 1.00 0.00 O ATOM 474 OE2 GLU A 30 4.831 3.270 9.127 1.00 0.00 O ATOM 0 H GLU A 30 2.785 0.102 9.866 1.00 0.00 H new ATOM 0 HA GLU A 30 0.548 1.510 10.856 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.492 1.974 8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.258 3.152 8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.224 3.533 11.129 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.331 2.188 10.939 1.00 0.00 H new ATOM 482 N ILE A 31 -0.116 0.215 7.870 1.00 0.00 N ATOM 483 CA ILE A 31 -1.281 -0.258 7.046 1.00 0.00 C ATOM 484 C ILE A 31 -2.359 -1.042 7.876 1.00 0.00 C ATOM 485 O ILE A 31 -3.535 -0.681 7.812 1.00 0.00 O ATOM 486 CB ILE A 31 -0.746 -1.020 5.778 1.00 0.00 C ATOM 487 CG1 ILE A 31 0.007 -0.042 4.816 1.00 0.00 C ATOM 488 CG2 ILE A 31 -1.862 -1.712 4.956 1.00 0.00 C ATOM 489 CD1 ILE A 31 0.996 -0.729 3.881 1.00 0.00 C ATOM 0 H ILE A 31 0.786 -0.119 7.531 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.837 0.611 6.695 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.077 -1.786 6.170 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.726 0.499 4.218 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.541 0.698 5.412 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.421 -2.218 4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.376 -2.442 5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.576 -0.964 4.610 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.476 0.017 3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.753 -1.247 4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.467 -1.449 3.257 1.00 0.00 H new ATOM 501 N ALA A 32 -1.970 -2.058 8.663 1.00 0.00 N ATOM 502 CA ALA A 32 -2.896 -2.751 9.589 1.00 0.00 C ATOM 503 C ALA A 32 -3.564 -1.899 10.720 1.00 0.00 C ATOM 504 O ALA A 32 -4.778 -2.005 10.903 1.00 0.00 O ATOM 505 CB ALA A 32 -2.138 -3.967 10.141 1.00 0.00 C ATOM 0 H ALA A 32 -1.018 -2.423 8.680 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.775 -3.031 9.009 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.780 -4.513 10.832 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.851 -4.621 9.318 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.244 -3.631 10.666 1.00 0.00 H new ATOM 511 N GLN A 33 -2.808 -1.068 11.452 1.00 0.00 N ATOM 512 CA GLN A 33 -3.366 -0.255 12.565 1.00 0.00 C ATOM 513 C GLN A 33 -4.113 1.070 12.157 1.00 0.00 C ATOM 514 O GLN A 33 -5.113 1.395 12.796 1.00 0.00 O ATOM 515 CB GLN A 33 -2.260 0.067 13.608 1.00 0.00 C ATOM 516 CG GLN A 33 -1.550 -1.125 14.285 1.00 0.00 C ATOM 517 CD GLN A 33 -2.410 -2.193 14.930 1.00 0.00 C ATOM 518 OE1 GLN A 33 -2.566 -3.292 14.414 1.00 0.00 O ATOM 519 NE2 GLN A 33 -2.994 -1.935 16.072 1.00 0.00 N ATOM 0 H GLN A 33 -1.808 -0.935 11.301 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.142 -0.891 12.991 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.501 0.675 13.116 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.704 0.682 14.390 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.923 -1.609 13.536 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.884 -0.726 15.050 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.872 -1.023 16.513 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.571 -2.646 16.522 1.00 0.00 H new ATOM 528 N ARG A 34 -3.631 1.829 11.162 1.00 0.00 N ATOM 529 CA ARG A 34 -4.283 3.105 10.722 1.00 0.00 C ATOM 530 C ARG A 34 -5.536 2.938 9.803 1.00 0.00 C ATOM 531 O ARG A 34 -6.515 3.656 10.011 1.00 0.00 O ATOM 532 CB ARG A 34 -3.151 3.979 10.132 1.00 0.00 C ATOM 533 CG ARG A 34 -3.513 5.438 9.790 1.00 0.00 C ATOM 534 CD ARG A 34 -2.238 6.287 9.599 1.00 0.00 C ATOM 535 NE ARG A 34 -2.582 7.526 8.868 1.00 0.00 N ATOM 536 CZ ARG A 34 -1.910 8.665 8.885 1.00 0.00 C ATOM 537 NH1 ARG A 34 -0.828 8.878 9.575 1.00 0.00 N ATOM 538 NH2 ARG A 34 -2.361 9.630 8.161 1.00 0.00 N ATOM 0 H ARG A 34 -2.790 1.594 10.635 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.744 3.602 11.576 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.324 3.991 10.842 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.786 3.497 9.225 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.113 5.465 8.881 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.123 5.863 10.587 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.801 6.532 10.567 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.489 5.720 9.046 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.423 7.499 8.292 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.440 8.136 10.157 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -0.368 9.787 9.534 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.205 9.498 7.604 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.874 10.526 8.144 1.00 0.00 H new ATOM 551 N LEU A 35 -5.535 2.016 8.825 1.00 0.00 N ATOM 552 CA LEU A 35 -6.772 1.656 8.066 1.00 0.00 C ATOM 553 C LEU A 35 -7.754 0.654 8.787 1.00 0.00 C ATOM 554 O LEU A 35 -8.968 0.779 8.614 1.00 0.00 O ATOM 555 CB LEU A 35 -6.387 1.057 6.683 1.00 0.00 C ATOM 556 CG LEU A 35 -5.730 2.031 5.685 1.00 0.00 C ATOM 557 CD1 LEU A 35 -5.121 1.229 4.529 1.00 0.00 C ATOM 558 CD2 LEU A 35 -6.720 3.058 5.128 1.00 0.00 C ATOM 0 H LEU A 35 -4.703 1.503 8.534 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.317 2.596 7.975 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.706 0.222 6.848 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.287 0.648 6.223 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.959 2.584 6.222 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.654 1.912 3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.370 0.542 4.919 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.905 0.663 4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.205 3.719 4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.527 2.541 4.609 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.133 3.646 5.947 1.00 0.00 H new ATOM 570 N GLY A 36 -7.237 -0.337 9.526 1.00 0.00 N ATOM 571 CA GLY A 36 -8.068 -1.350 10.215 1.00 0.00 C ATOM 572 C GLY A 36 -8.121 -2.737 9.552 1.00 0.00 C ATOM 573 O GLY A 36 -9.203 -3.218 9.212 1.00 0.00 O ATOM 0 H GLY A 36 -6.235 -0.464 9.667 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.694 -1.468 11.232 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.085 -0.966 10.292 1.00 0.00 H new ATOM 577 N PHE A 37 -6.965 -3.398 9.450 1.00 0.00 N ATOM 578 CA PHE A 37 -6.875 -4.816 9.031 1.00 0.00 C ATOM 579 C PHE A 37 -6.421 -5.654 10.271 1.00 0.00 C ATOM 580 O PHE A 37 -5.233 -5.671 10.613 1.00 0.00 O ATOM 581 CB PHE A 37 -5.868 -5.024 7.869 1.00 0.00 C ATOM 582 CG PHE A 37 -6.212 -4.348 6.543 1.00 0.00 C ATOM 583 CD1 PHE A 37 -7.108 -4.953 5.655 1.00 0.00 C ATOM 584 CD2 PHE A 37 -5.624 -3.124 6.182 1.00 0.00 C ATOM 585 CE1 PHE A 37 -7.410 -4.354 4.433 1.00 0.00 C ATOM 586 CE2 PHE A 37 -5.929 -2.526 4.959 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.821 -3.141 4.085 1.00 0.00 C ATOM 0 H PHE A 37 -6.060 -2.973 9.654 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.852 -5.135 8.668 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.892 -4.663 8.194 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.768 -6.095 7.691 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -7.570 -5.893 5.919 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.931 -2.643 6.856 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -8.102 -4.831 3.755 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.473 -1.585 4.690 1.00 0.00 H new ATOM 0 HZ PHE A 37 -7.056 -2.678 3.138 1.00 0.00 H new ATOM 597 N ARG A 38 -7.352 -6.354 10.936 1.00 0.00 N ATOM 598 CA ARG A 38 -7.013 -7.159 12.156 1.00 0.00 C ATOM 599 C ARG A 38 -6.453 -8.589 11.825 1.00 0.00 C ATOM 600 O ARG A 38 -7.040 -9.622 12.159 1.00 0.00 O ATOM 601 CB ARG A 38 -8.268 -7.138 13.057 1.00 0.00 C ATOM 602 CG ARG A 38 -8.058 -7.567 14.524 1.00 0.00 C ATOM 603 CD ARG A 38 -7.390 -6.525 15.435 1.00 0.00 C ATOM 604 NE ARG A 38 -5.912 -6.623 15.408 1.00 0.00 N ATOM 605 CZ ARG A 38 -5.068 -5.692 14.996 1.00 0.00 C ATOM 606 NH1 ARG A 38 -5.410 -4.535 14.509 1.00 0.00 N ATOM 607 NH2 ARG A 38 -3.811 -5.959 15.070 1.00 0.00 N ATOM 0 H ARG A 38 -8.336 -6.390 10.668 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.176 -6.717 12.697 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -8.678 -6.128 13.050 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.020 -7.790 12.613 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.027 -7.826 14.950 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.453 -8.473 14.535 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.692 -5.525 15.123 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.743 -6.660 16.458 1.00 0.00 H new ATOM 0 HE ARG A 38 -5.504 -7.497 15.741 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.396 -4.290 14.422 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.692 -3.873 14.214 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.502 -6.860 15.435 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -3.124 -5.270 14.763 1.00 0.00 H new ATOM 620 N SER A 39 -5.304 -8.602 11.138 1.00 0.00 N ATOM 621 CA SER A 39 -4.621 -9.806 10.611 1.00 0.00 C ATOM 622 C SER A 39 -3.363 -9.330 9.782 1.00 0.00 C ATOM 623 O SER A 39 -3.554 -8.529 8.856 1.00 0.00 O ATOM 624 CB SER A 39 -5.502 -10.682 9.675 1.00 0.00 C ATOM 625 OG SER A 39 -6.450 -11.447 10.416 1.00 0.00 O ATOM 0 H SER A 39 -4.799 -7.743 10.922 1.00 0.00 H new ATOM 0 HA SER A 39 -4.362 -10.422 11.472 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.025 -10.043 8.963 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.866 -11.351 9.096 1.00 0.00 H new ATOM 0 HG SER A 39 -6.527 -11.083 11.323 1.00 0.00 H new ATOM 631 N PRO A 40 -2.104 -9.799 10.005 1.00 0.00 N ATOM 632 CA PRO A 40 -0.937 -9.408 9.131 1.00 0.00 C ATOM 633 C PRO A 40 -1.033 -9.800 7.628 1.00 0.00 C ATOM 634 O PRO A 40 -0.752 -8.968 6.763 1.00 0.00 O ATOM 635 CB PRO A 40 0.263 -10.030 9.884 1.00 0.00 C ATOM 636 CG PRO A 40 -0.329 -11.242 10.640 1.00 0.00 C ATOM 637 CD PRO A 40 -1.742 -10.784 11.046 1.00 0.00 C ATOM 0 HA PRO A 40 -0.867 -8.327 9.013 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.046 -10.340 9.192 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.711 -9.314 10.573 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -0.365 -12.128 10.006 1.00 0.00 H new ATOM 0 HG3 PRO A 40 0.272 -11.499 11.512 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.443 -11.619 11.068 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -1.748 -10.337 12.040 1.00 0.00 H new ATOM 645 N ASN A 41 -1.496 -11.021 7.328 1.00 0.00 N ATOM 646 CA ASN A 41 -1.766 -11.488 5.944 1.00 0.00 C ATOM 647 C ASN A 41 -2.797 -10.663 5.090 1.00 0.00 C ATOM 648 O ASN A 41 -2.624 -10.587 3.874 1.00 0.00 O ATOM 649 CB ASN A 41 -2.188 -12.979 6.009 1.00 0.00 C ATOM 650 CG ASN A 41 -1.061 -13.938 6.356 1.00 0.00 C ATOM 651 OD1 ASN A 41 -0.869 -14.315 7.505 1.00 0.00 O ATOM 652 ND2 ASN A 41 -0.277 -14.356 5.395 1.00 0.00 N ATOM 0 H ASN A 41 -1.698 -11.725 8.038 1.00 0.00 H new ATOM 0 HA ASN A 41 -0.831 -11.335 5.405 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.981 -13.087 6.749 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -2.609 -13.267 5.046 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.491 -14.994 5.604 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -0.434 -14.044 4.437 1.00 0.00 H new ATOM 659 N ALA A 42 -3.816 -10.030 5.695 1.00 0.00 N ATOM 660 CA ALA A 42 -4.669 -9.038 4.983 1.00 0.00 C ATOM 661 C ALA A 42 -3.924 -7.776 4.427 1.00 0.00 C ATOM 662 O ALA A 42 -4.045 -7.490 3.235 1.00 0.00 O ATOM 663 CB ALA A 42 -5.818 -8.691 5.937 1.00 0.00 C ATOM 0 H ALA A 42 -4.076 -10.180 6.670 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.038 -9.489 4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.477 -7.964 5.463 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.382 -9.594 6.171 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.413 -8.268 6.856 1.00 0.00 H new ATOM 669 N ALA A 43 -3.109 -7.086 5.243 1.00 0.00 N ATOM 670 CA ALA A 43 -2.151 -6.068 4.734 1.00 0.00 C ATOM 671 C ALA A 43 -1.057 -6.578 3.724 1.00 0.00 C ATOM 672 O ALA A 43 -0.857 -5.934 2.693 1.00 0.00 O ATOM 673 CB ALA A 43 -1.534 -5.395 5.969 1.00 0.00 C ATOM 0 H ALA A 43 -3.088 -7.208 6.255 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.708 -5.366 4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.820 -4.635 5.651 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.321 -4.928 6.560 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.022 -6.144 6.574 1.00 0.00 H new ATOM 679 N GLU A 44 -0.406 -7.726 3.988 1.00 0.00 N ATOM 680 CA GLU A 44 0.557 -8.359 3.043 1.00 0.00 C ATOM 681 C GLU A 44 -0.023 -8.725 1.623 1.00 0.00 C ATOM 682 O GLU A 44 0.560 -8.314 0.618 1.00 0.00 O ATOM 683 CB GLU A 44 1.159 -9.647 3.678 1.00 0.00 C ATOM 684 CG GLU A 44 2.056 -9.432 4.907 1.00 0.00 C ATOM 685 CD GLU A 44 2.446 -10.726 5.600 1.00 0.00 C ATOM 686 OE1 GLU A 44 1.894 -11.161 6.605 1.00 0.00 O ATOM 687 OE2 GLU A 44 3.486 -11.351 4.986 1.00 0.00 O ATOM 0 H GLU A 44 -0.526 -8.246 4.857 1.00 0.00 H new ATOM 0 HA GLU A 44 1.314 -7.593 2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.339 -10.307 3.962 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.738 -10.168 2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.960 -8.905 4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.538 -8.789 5.618 1.00 0.00 H new ATOM 695 N GLU A 45 -1.136 -9.474 1.538 1.00 0.00 N ATOM 696 CA GLU A 45 -1.737 -9.863 0.237 1.00 0.00 C ATOM 697 C GLU A 45 -2.421 -8.720 -0.592 1.00 0.00 C ATOM 698 O GLU A 45 -2.341 -8.786 -1.820 1.00 0.00 O ATOM 699 CB GLU A 45 -2.687 -11.078 0.409 1.00 0.00 C ATOM 700 CG GLU A 45 -1.979 -12.440 0.588 1.00 0.00 C ATOM 701 CD GLU A 45 -1.708 -12.878 2.012 1.00 0.00 C ATOM 702 OE1 GLU A 45 -0.612 -12.817 2.562 1.00 0.00 O ATOM 703 OE2 GLU A 45 -2.832 -13.374 2.602 1.00 0.00 O ATOM 0 H GLU A 45 -1.642 -9.825 2.351 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.878 -10.140 -0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -3.326 -10.901 1.274 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.339 -11.136 -0.462 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.586 -13.206 0.105 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -1.029 -12.403 0.056 1.00 0.00 H new ATOM 711 N HIS A 46 -3.027 -7.685 0.013 1.00 0.00 N ATOM 712 CA HIS A 46 -3.422 -6.455 -0.744 1.00 0.00 C ATOM 713 C HIS A 46 -2.226 -5.609 -1.320 1.00 0.00 C ATOM 714 O HIS A 46 -2.333 -5.135 -2.452 1.00 0.00 O ATOM 715 CB HIS A 46 -4.364 -5.558 0.089 1.00 0.00 C ATOM 716 CG HIS A 46 -5.756 -6.145 0.357 1.00 0.00 C ATOM 717 ND1 HIS A 46 -6.580 -6.682 -0.626 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.374 -6.234 1.612 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.625 -7.094 0.156 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.590 -6.872 1.504 1.00 0.00 N ATOM 0 H HIS A 46 -3.257 -7.661 1.006 1.00 0.00 H new ATOM 0 HA HIS A 46 -3.953 -6.836 -1.616 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.886 -5.346 1.045 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -4.482 -4.605 -0.426 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.956 -5.856 2.533 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.473 -7.592 -0.290 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.271 -7.111 2.225 1.00 0.00 H new ATOM 728 N LEU A 47 -1.102 -5.476 -0.598 1.00 0.00 N ATOM 729 CA LEU A 47 0.184 -5.006 -1.187 1.00 0.00 C ATOM 730 C LEU A 47 0.738 -5.880 -2.375 1.00 0.00 C ATOM 731 O LEU A 47 1.018 -5.333 -3.442 1.00 0.00 O ATOM 732 CB LEU A 47 1.251 -4.906 -0.067 1.00 0.00 C ATOM 733 CG LEU A 47 1.071 -3.766 0.957 1.00 0.00 C ATOM 734 CD1 LEU A 47 2.050 -4.005 2.115 1.00 0.00 C ATOM 735 CD2 LEU A 47 1.352 -2.401 0.332 1.00 0.00 C ATOM 0 H LEU A 47 -1.047 -5.686 0.399 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.030 -4.032 -1.627 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.266 -5.852 0.475 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.228 -4.792 -0.536 1.00 0.00 H new ATOM 0 HG LEU A 47 0.039 -3.765 1.307 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.941 -3.210 2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 47 1.834 -4.966 2.582 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.071 -4.009 1.733 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.215 -1.622 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.377 -2.374 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.664 -2.231 -0.496 1.00 0.00 H new ATOM 747 N LYS A 48 0.852 -7.204 -2.212 1.00 0.00 N ATOM 748 CA LYS A 48 1.208 -8.135 -3.324 1.00 0.00 C ATOM 749 C LYS A 48 0.248 -8.099 -4.576 1.00 0.00 C ATOM 750 O LYS A 48 0.737 -8.105 -5.707 1.00 0.00 O ATOM 751 CB LYS A 48 1.317 -9.574 -2.755 1.00 0.00 C ATOM 752 CG LYS A 48 2.475 -9.782 -1.754 1.00 0.00 C ATOM 753 CD LYS A 48 2.380 -11.145 -1.050 1.00 0.00 C ATOM 754 CE LYS A 48 3.423 -11.339 0.064 1.00 0.00 C ATOM 755 NZ LYS A 48 4.791 -11.512 -0.471 1.00 0.00 N ATOM 0 H LYS A 48 0.704 -7.671 -1.317 1.00 0.00 H new ATOM 0 HA LYS A 48 2.164 -7.788 -3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.378 -9.828 -2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.441 -10.270 -3.584 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.427 -9.709 -2.279 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.460 -8.986 -1.009 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.382 -11.256 -0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.501 -11.936 -1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.403 -10.478 0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.156 -12.211 0.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 5.458 -11.639 0.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.819 -12.349 -1.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 5.059 -10.669 -1.019 1.00 0.00 H new ATOM 768 N ALA A 49 -1.074 -8.003 -4.375 1.00 0.00 N ATOM 769 CA ALA A 49 -2.041 -7.698 -5.456 1.00 0.00 C ATOM 770 C ALA A 49 -1.915 -6.293 -6.139 1.00 0.00 C ATOM 771 O ALA A 49 -1.974 -6.234 -7.366 1.00 0.00 O ATOM 772 CB ALA A 49 -3.434 -7.940 -4.857 1.00 0.00 C ATOM 0 H ALA A 49 -1.509 -8.133 -3.462 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.826 -8.355 -6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.195 -7.731 -5.609 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.517 -8.978 -4.536 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.581 -7.283 -4.000 1.00 0.00 H new ATOM 778 N LEU A 50 -1.715 -5.188 -5.401 1.00 0.00 N ATOM 779 CA LEU A 50 -1.320 -3.875 -5.987 1.00 0.00 C ATOM 780 C LEU A 50 0.041 -3.842 -6.790 1.00 0.00 C ATOM 781 O LEU A 50 0.111 -3.179 -7.827 1.00 0.00 O ATOM 782 CB LEU A 50 -1.249 -2.864 -4.814 1.00 0.00 C ATOM 783 CG LEU A 50 -2.577 -2.318 -4.258 1.00 0.00 C ATOM 784 CD1 LEU A 50 -2.271 -1.529 -2.971 1.00 0.00 C ATOM 785 CD2 LEU A 50 -3.281 -1.388 -5.246 1.00 0.00 C ATOM 0 H LEU A 50 -1.819 -5.169 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.072 -3.632 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.712 -3.340 -3.993 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.647 -2.015 -5.139 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.239 -3.163 -4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.198 -1.132 -2.558 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.803 -2.190 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.595 -0.706 -3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.212 -1.029 -4.808 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.635 -0.539 -5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.498 -1.931 -6.166 1.00 0.00 H new ATOM 797 N ALA A 51 1.088 -4.547 -6.338 1.00 0.00 N ATOM 798 CA ALA A 51 2.282 -4.834 -7.174 1.00 0.00 C ATOM 799 C ALA A 51 2.022 -5.692 -8.463 1.00 0.00 C ATOM 800 O ALA A 51 2.505 -5.317 -9.532 1.00 0.00 O ATOM 801 CB ALA A 51 3.324 -5.471 -6.245 1.00 0.00 C ATOM 0 H ALA A 51 1.140 -4.934 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 51 2.637 -3.895 -7.598 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.225 -5.702 -6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.570 -4.775 -5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.919 -6.389 -5.818 1.00 0.00 H new ATOM 807 N ARG A 52 1.231 -6.775 -8.379 1.00 0.00 N ATOM 808 CA ARG A 52 0.759 -7.539 -9.573 1.00 0.00 C ATOM 809 C ARG A 52 -0.142 -6.766 -10.603 1.00 0.00 C ATOM 810 O ARG A 52 0.021 -6.977 -11.807 1.00 0.00 O ATOM 811 CB ARG A 52 0.102 -8.834 -9.033 1.00 0.00 C ATOM 812 CG ARG A 52 -0.297 -9.893 -10.077 1.00 0.00 C ATOM 813 CD ARG A 52 0.883 -10.494 -10.849 1.00 0.00 C ATOM 814 NE ARG A 52 0.399 -11.444 -11.878 1.00 0.00 N ATOM 815 CZ ARG A 52 0.015 -11.123 -13.106 1.00 0.00 C ATOM 816 NH1 ARG A 52 -0.036 -9.909 -13.574 1.00 0.00 N ATOM 817 NH2 ARG A 52 -0.334 -12.089 -13.885 1.00 0.00 N ATOM 0 H ARG A 52 0.896 -7.153 -7.493 1.00 0.00 H new ATOM 0 HA ARG A 52 1.625 -7.752 -10.199 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.791 -9.296 -8.326 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.790 -8.555 -8.473 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.835 -10.697 -9.574 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.989 -9.442 -10.788 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.459 -9.699 -11.322 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.554 -11.006 -10.159 1.00 0.00 H new ATOM 0 HE ARG A 52 0.358 -12.430 -11.619 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.231 -9.123 -12.982 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -0.343 -9.744 -14.533 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.307 -13.051 -13.548 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.637 -11.891 -14.839 1.00 0.00 H new ATOM 830 N LYS A 53 -1.026 -5.859 -10.162 1.00 0.00 N ATOM 831 CA LYS A 53 -1.640 -4.822 -11.038 1.00 0.00 C ATOM 832 C LYS A 53 -0.655 -3.820 -11.779 1.00 0.00 C ATOM 833 O LYS A 53 -1.038 -3.250 -12.803 1.00 0.00 O ATOM 834 CB LYS A 53 -2.597 -3.978 -10.147 1.00 0.00 C ATOM 835 CG LYS A 53 -3.887 -4.648 -9.647 1.00 0.00 C ATOM 836 CD LYS A 53 -4.940 -4.859 -10.744 1.00 0.00 C ATOM 837 CE LYS A 53 -6.254 -5.385 -10.156 1.00 0.00 C ATOM 838 NZ LYS A 53 -7.237 -5.573 -11.240 1.00 0.00 N ATOM 0 H LYS A 53 -1.342 -5.814 -9.193 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.124 -5.375 -11.843 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.035 -3.642 -9.276 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.878 -3.087 -10.708 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.637 -5.613 -9.206 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -4.319 -4.037 -8.854 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.122 -3.918 -11.263 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.562 -5.564 -11.484 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.081 -6.329 -9.639 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.641 -4.683 -9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.129 -5.930 -10.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.409 -4.664 -11.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.867 -6.258 -11.929 1.00 0.00 H new ATOM 851 N GLY A 54 0.557 -3.596 -11.253 1.00 0.00 N ATOM 852 CA GLY A 54 1.562 -2.713 -11.881 1.00 0.00 C ATOM 853 C GLY A 54 1.514 -1.250 -11.425 1.00 0.00 C ATOM 854 O GLY A 54 1.204 -0.370 -12.231 1.00 0.00 O ATOM 0 H GLY A 54 0.873 -4.020 -10.380 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.555 -3.111 -11.671 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.427 -2.746 -12.962 1.00 0.00 H new ATOM 858 N VAL A 55 1.830 -0.994 -10.150 1.00 0.00 N ATOM 859 CA VAL A 55 1.907 0.386 -9.597 1.00 0.00 C ATOM 860 C VAL A 55 2.949 0.562 -8.440 1.00 0.00 C ATOM 861 O VAL A 55 3.743 1.500 -8.512 1.00 0.00 O ATOM 862 CB VAL A 55 0.498 0.996 -9.296 1.00 0.00 C ATOM 863 CG1 VAL A 55 -0.300 0.351 -8.161 1.00 0.00 C ATOM 864 CG2 VAL A 55 0.602 2.517 -9.104 1.00 0.00 C ATOM 0 H VAL A 55 2.040 -1.723 -9.468 1.00 0.00 H new ATOM 0 HA VAL A 55 2.320 0.996 -10.400 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.090 0.761 -10.183 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.256 0.863 -8.052 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.475 -0.700 -8.391 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.262 0.430 -7.230 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.387 2.926 -8.895 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.268 2.734 -8.269 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.999 2.972 -10.012 1.00 0.00 H new ATOM 874 N ILE A 56 2.929 -0.243 -7.368 1.00 0.00 N ATOM 875 CA ILE A 56 3.784 0.006 -6.165 1.00 0.00 C ATOM 876 C ILE A 56 5.121 -0.805 -6.176 1.00 0.00 C ATOM 877 O ILE A 56 5.136 -2.025 -6.365 1.00 0.00 O ATOM 878 CB ILE A 56 3.015 -0.182 -4.798 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.370 -1.569 -4.621 1.00 0.00 C ATOM 880 CG2 ILE A 56 1.995 0.962 -4.606 1.00 0.00 C ATOM 881 CD1 ILE A 56 1.911 -1.880 -3.199 1.00 0.00 C ATOM 0 H ILE A 56 2.339 -1.072 -7.295 1.00 0.00 H new ATOM 0 HA ILE A 56 4.050 1.061 -6.237 1.00 0.00 H new ATOM 0 HB ILE A 56 3.763 -0.130 -4.007 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.513 -1.644 -5.290 1.00 0.00 H new ATOM 0 HG13 ILE A 56 3.085 -2.330 -4.932 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.469 0.825 -3.661 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.518 1.918 -4.595 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.277 0.951 -5.426 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.470 -2.876 -3.169 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.766 -1.841 -2.524 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.169 -1.145 -2.887 1.00 0.00 H new ATOM 893 N GLU A 57 6.231 -0.110 -5.911 1.00 0.00 N ATOM 894 CA GLU A 57 7.557 -0.742 -5.700 1.00 0.00 C ATOM 895 C GLU A 57 7.754 -1.106 -4.195 1.00 0.00 C ATOM 896 O GLU A 57 7.890 -0.223 -3.342 1.00 0.00 O ATOM 897 CB GLU A 57 8.607 0.271 -6.226 1.00 0.00 C ATOM 898 CG GLU A 57 10.069 -0.217 -6.237 1.00 0.00 C ATOM 899 CD GLU A 57 10.358 -1.359 -7.195 1.00 0.00 C ATOM 900 OE1 GLU A 57 10.222 -2.542 -6.907 1.00 0.00 O ATOM 901 OE2 GLU A 57 10.776 -0.923 -8.413 1.00 0.00 O ATOM 0 H GLU A 57 6.246 0.907 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 57 7.658 -1.685 -6.238 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.332 0.555 -7.242 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.550 1.173 -5.616 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.715 0.623 -6.492 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.339 -0.532 -5.229 1.00 0.00 H new ATOM 909 N ILE A 58 7.747 -2.407 -3.894 1.00 0.00 N ATOM 910 CA ILE A 58 7.903 -2.928 -2.503 1.00 0.00 C ATOM 911 C ILE A 58 9.382 -3.424 -2.323 1.00 0.00 C ATOM 912 O ILE A 58 9.859 -4.287 -3.067 1.00 0.00 O ATOM 913 CB ILE A 58 6.876 -4.094 -2.213 1.00 0.00 C ATOM 914 CG1 ILE A 58 5.392 -3.666 -2.416 1.00 0.00 C ATOM 915 CG2 ILE A 58 7.030 -4.632 -0.762 1.00 0.00 C ATOM 916 CD1 ILE A 58 4.421 -4.844 -2.534 1.00 0.00 C ATOM 0 H ILE A 58 7.634 -3.140 -4.594 1.00 0.00 H new ATOM 0 HA ILE A 58 7.691 -2.133 -1.788 1.00 0.00 H new ATOM 0 HB ILE A 58 7.114 -4.873 -2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.087 -3.038 -1.579 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.319 -3.055 -3.316 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.310 -5.433 -0.593 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.040 -5.016 -0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 58 6.847 -3.824 -0.053 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.408 -4.468 -2.673 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.700 -5.461 -3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.464 -5.443 -1.624 1.00 0.00 H new ATOM 928 N VAL A 59 10.078 -2.918 -1.299 1.00 0.00 N ATOM 929 CA VAL A 59 11.458 -3.375 -0.962 1.00 0.00 C ATOM 930 C VAL A 59 11.479 -4.792 -0.297 1.00 0.00 C ATOM 931 O VAL A 59 10.819 -5.032 0.720 1.00 0.00 O ATOM 932 CB VAL A 59 12.184 -2.254 -0.144 1.00 0.00 C ATOM 933 CG1 VAL A 59 11.795 -2.146 1.338 1.00 0.00 C ATOM 934 CG2 VAL A 59 13.721 -2.401 -0.220 1.00 0.00 C ATOM 0 H VAL A 59 9.720 -2.190 -0.680 1.00 0.00 H new ATOM 0 HA VAL A 59 12.028 -3.524 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 59 11.842 -1.340 -0.629 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.359 -1.338 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 59 10.728 -1.938 1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 59 12.022 -3.085 1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 59 14.192 -1.606 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 59 14.014 -3.369 0.187 1.00 0.00 H new ATOM 0 HG23 VAL A 59 14.042 -2.332 -1.259 1.00 0.00 H new ATOM 944 N SER A 60 12.259 -5.725 -0.858 1.00 0.00 N ATOM 945 CA SER A 60 12.376 -7.104 -0.306 1.00 0.00 C ATOM 946 C SER A 60 13.423 -7.229 0.850 1.00 0.00 C ATOM 947 O SER A 60 14.512 -7.784 0.674 1.00 0.00 O ATOM 948 CB SER A 60 12.677 -8.032 -1.510 1.00 0.00 C ATOM 949 OG SER A 60 12.824 -9.391 -1.093 1.00 0.00 O ATOM 0 H SER A 60 12.822 -5.562 -1.693 1.00 0.00 H new ATOM 0 HA SER A 60 11.445 -7.397 0.179 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.870 -7.958 -2.239 1.00 0.00 H new ATOM 0 HB3 SER A 60 13.588 -7.701 -2.008 1.00 0.00 H new ATOM 0 HG SER A 60 13.012 -9.954 -1.873 1.00 0.00 H new ATOM 955 N GLY A 61 13.066 -6.729 2.040 1.00 0.00 N ATOM 956 CA GLY A 61 13.975 -6.750 3.213 1.00 0.00 C ATOM 957 C GLY A 61 13.590 -5.800 4.358 1.00 0.00 C ATOM 958 O GLY A 61 13.255 -6.254 5.453 1.00 0.00 O ATOM 0 H GLY A 61 12.157 -6.304 2.224 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.014 -7.767 3.604 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.981 -6.499 2.877 1.00 0.00 H new ATOM 962 N ALA A 62 13.682 -4.488 4.119 1.00 0.00 N ATOM 963 CA ALA A 62 13.338 -3.464 5.136 1.00 0.00 C ATOM 964 C ALA A 62 11.808 -3.184 5.276 1.00 0.00 C ATOM 965 O ALA A 62 11.074 -3.127 4.287 1.00 0.00 O ATOM 966 CB ALA A 62 14.102 -2.192 4.727 1.00 0.00 C ATOM 0 H ALA A 62 13.992 -4.099 3.229 1.00 0.00 H new ATOM 0 HA ALA A 62 13.626 -3.826 6.123 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.890 -1.395 5.440 1.00 0.00 H new ATOM 0 HB2 ALA A 62 15.173 -2.397 4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.785 -1.882 3.731 1.00 0.00 H new ATOM 972 N SER A 63 11.336 -2.962 6.511 1.00 0.00 N ATOM 973 CA SER A 63 9.888 -2.726 6.774 1.00 0.00 C ATOM 974 C SER A 63 9.229 -1.418 6.211 1.00 0.00 C ATOM 975 O SER A 63 8.021 -1.447 5.966 1.00 0.00 O ATOM 976 CB SER A 63 9.661 -2.824 8.304 1.00 0.00 C ATOM 977 OG SER A 63 8.267 -2.773 8.626 1.00 0.00 O ATOM 0 H SER A 63 11.922 -2.939 7.346 1.00 0.00 H new ATOM 0 HA SER A 63 9.376 -3.500 6.202 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.089 -3.754 8.679 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.182 -2.008 8.804 1.00 0.00 H new ATOM 0 HG SER A 63 8.153 -2.838 9.597 1.00 0.00 H new ATOM 983 N ARG A 64 9.964 -0.302 6.073 1.00 0.00 N ATOM 984 CA ARG A 64 9.418 0.959 5.502 1.00 0.00 C ATOM 985 C ARG A 64 10.017 1.225 4.079 1.00 0.00 C ATOM 986 O ARG A 64 11.036 1.902 3.922 1.00 0.00 O ATOM 987 CB ARG A 64 9.710 2.112 6.506 1.00 0.00 C ATOM 988 CG ARG A 64 8.860 3.361 6.210 1.00 0.00 C ATOM 989 CD ARG A 64 9.193 4.590 7.060 1.00 0.00 C ATOM 990 NE ARG A 64 8.600 4.557 8.418 1.00 0.00 N ATOM 991 CZ ARG A 64 7.460 5.124 8.780 1.00 0.00 C ATOM 992 NH1 ARG A 64 6.606 5.672 7.964 1.00 0.00 N ATOM 993 NH2 ARG A 64 7.177 5.124 10.037 1.00 0.00 N ATOM 0 H ARG A 64 10.944 -0.239 6.348 1.00 0.00 H new ATOM 0 HA ARG A 64 8.339 0.886 5.363 1.00 0.00 H new ATOM 0 HB2 ARG A 64 9.510 1.769 7.521 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.767 2.373 6.461 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.980 3.622 5.159 1.00 0.00 H new ATOM 0 HG3 ARG A 64 7.810 3.110 6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.276 4.676 7.149 1.00 0.00 H new ATOM 0 HD3 ARG A 64 8.843 5.483 6.543 1.00 0.00 H new ATOM 0 HE ARG A 64 9.117 4.052 9.138 1.00 0.00 H new ATOM 0 HH11 ARG A 64 6.795 5.685 6.962 1.00 0.00 H new ATOM 0 HH12 ARG A 64 5.748 6.088 8.327 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.820 4.699 10.705 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.310 5.549 10.364 1.00 0.00 H new ATOM 1006 N GLY A 65 9.358 0.694 3.047 1.00 0.00 N ATOM 1007 CA GLY A 65 9.765 0.938 1.639 1.00 0.00 C ATOM 1008 C GLY A 65 8.733 0.477 0.601 1.00 0.00 C ATOM 1009 O GLY A 65 8.926 -0.527 -0.082 1.00 0.00 O ATOM 0 H GLY A 65 8.541 0.092 3.147 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.949 2.004 1.504 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.708 0.426 1.450 1.00 0.00 H new ATOM 1013 N ILE A 66 7.640 1.228 0.514 1.00 0.00 N ATOM 1014 CA ILE A 66 6.489 0.929 -0.382 1.00 0.00 C ATOM 1015 C ILE A 66 6.155 2.273 -1.133 1.00 0.00 C ATOM 1016 O ILE A 66 5.538 3.172 -0.553 1.00 0.00 O ATOM 1017 CB ILE A 66 5.265 0.383 0.449 1.00 0.00 C ATOM 1018 CG1 ILE A 66 5.570 -0.956 1.186 1.00 0.00 C ATOM 1019 CG2 ILE A 66 4.040 0.154 -0.470 1.00 0.00 C ATOM 1020 CD1 ILE A 66 4.599 -1.278 2.325 1.00 0.00 C ATOM 0 H ILE A 66 7.511 2.077 1.065 1.00 0.00 H new ATOM 0 HA ILE A 66 6.727 0.147 -1.103 1.00 0.00 H new ATOM 0 HB ILE A 66 5.056 1.147 1.198 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.547 -1.770 0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.583 -0.915 1.587 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.206 -0.223 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.756 1.096 -0.939 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.295 -0.573 -1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.880 -2.225 2.786 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.638 -0.485 3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.586 -1.354 1.929 1.00 0.00 H new ATOM 1032 N ARG A 67 6.574 2.404 -2.398 1.00 0.00 N ATOM 1033 CA ARG A 67 6.472 3.691 -3.149 1.00 0.00 C ATOM 1034 C ARG A 67 5.580 3.555 -4.426 1.00 0.00 C ATOM 1035 O ARG A 67 5.787 2.665 -5.254 1.00 0.00 O ATOM 1036 CB ARG A 67 7.899 4.178 -3.533 1.00 0.00 C ATOM 1037 CG ARG A 67 8.694 4.736 -2.334 1.00 0.00 C ATOM 1038 CD ARG A 67 10.070 5.276 -2.743 1.00 0.00 C ATOM 1039 NE ARG A 67 10.774 5.816 -1.555 1.00 0.00 N ATOM 1040 CZ ARG A 67 10.751 7.073 -1.135 1.00 0.00 C ATOM 1041 NH1 ARG A 67 10.076 8.029 -1.700 1.00 0.00 N ATOM 1042 NH2 ARG A 67 11.447 7.363 -0.089 1.00 0.00 N ATOM 0 H ARG A 67 6.989 1.642 -2.935 1.00 0.00 H new ATOM 0 HA ARG A 67 5.993 4.425 -2.501 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.453 3.349 -3.973 1.00 0.00 H new ATOM 0 HB3 ARG A 67 7.819 4.950 -4.298 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.120 5.533 -1.861 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.822 3.950 -1.590 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.662 4.481 -3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.955 6.057 -3.495 1.00 0.00 H new ATOM 0 HE ARG A 67 11.329 5.157 -1.009 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.512 7.835 -2.528 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.110 8.973 -1.316 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.987 6.637 0.382 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.457 8.318 0.268 1.00 0.00 H new ATOM 1055 N LEU A 68 4.605 4.457 -4.590 1.00 0.00 N ATOM 1056 CA LEU A 68 3.689 4.466 -5.764 1.00 0.00 C ATOM 1057 C LEU A 68 4.289 5.074 -7.064 1.00 0.00 C ATOM 1058 O LEU A 68 4.910 6.139 -7.039 1.00 0.00 O ATOM 1059 CB LEU A 68 2.320 5.046 -5.341 1.00 0.00 C ATOM 1060 CG LEU A 68 2.051 6.532 -5.063 1.00 0.00 C ATOM 1061 CD1 LEU A 68 3.045 7.237 -4.144 1.00 0.00 C ATOM 1062 CD2 LEU A 68 1.851 7.359 -6.339 1.00 0.00 C ATOM 0 H LEU A 68 4.419 5.204 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 68 3.532 3.432 -6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.615 4.752 -6.119 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.034 4.513 -4.434 1.00 0.00 H new ATOM 0 HG LEU A 68 1.113 6.487 -4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.752 8.280 -4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.052 6.746 -3.171 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.042 7.189 -4.582 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.665 8.400 -6.073 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.747 7.297 -6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.999 6.969 -6.895 1.00 0.00 H new ATOM 1074 N LEU A 69 4.091 4.391 -8.202 1.00 0.00 N ATOM 1075 CA LEU A 69 4.689 4.794 -9.500 1.00 0.00 C ATOM 1076 C LEU A 69 3.578 4.931 -10.604 1.00 0.00 C ATOM 1077 O LEU A 69 3.331 4.025 -11.405 1.00 0.00 O ATOM 1078 CB LEU A 69 5.785 3.779 -9.928 1.00 0.00 C ATOM 1079 CG LEU A 69 7.020 3.646 -9.008 1.00 0.00 C ATOM 1080 CD1 LEU A 69 7.903 2.504 -9.536 1.00 0.00 C ATOM 1081 CD2 LEU A 69 7.857 4.925 -8.935 1.00 0.00 C ATOM 0 H LEU A 69 3.518 3.549 -8.257 1.00 0.00 H new ATOM 0 HA LEU A 69 5.160 5.770 -9.379 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.321 2.797 -10.015 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.133 4.056 -10.923 1.00 0.00 H new ATOM 0 HG LEU A 69 6.656 3.444 -8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.780 2.397 -8.897 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.335 1.574 -9.532 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.221 2.731 -10.554 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.708 4.765 -8.273 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.215 5.183 -9.932 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.244 5.739 -8.548 1.00 0.00 H new