USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=9 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 39 SER OG : rot -141:sc= 1.02 USER MOD Set 1.2: A 41 ASN : amide:sc= 0.891 K(o=1.9,f=-0.37) USER MOD Set 2.1: A 22 THR OG1 : rot 19:sc= 1.18 USER MOD Set 2.2: A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 5 THR OG1 : rot -77:sc= 1.22 USER MOD Set 3.2: A 8 GLN : amide:sc= 1.14 K(o=2.5,f=0.6) USER MOD Set 3.3: A 53 LYS NZ :NH3+ -176:sc= 0.145 (180deg=0) USER MOD Single : A 9 GLN : amide:sc= 0.044 X(o=0.044,f=-0.0017) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot -69:sc= 1.31 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.0131 X(o=-0.013,f=-0.37) USER MOD Single : A 48 LYS NZ :NH3+ -146:sc= 0 (180deg=-0.747) USER MOD Single : A 60 SER OG : rot 41:sc= 0.65 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 50 N LEU A 4 -8.863 -0.870 -9.385 1.00 0.00 N ATOM 51 CA LEU A 4 -8.654 -0.937 -7.917 1.00 0.00 C ATOM 52 C LEU A 4 -9.935 -1.322 -7.098 1.00 0.00 C ATOM 53 O LEU A 4 -10.848 -0.518 -6.894 1.00 0.00 O ATOM 54 CB LEU A 4 -8.072 0.410 -7.410 1.00 0.00 C ATOM 55 CG LEU A 4 -6.696 0.849 -7.962 1.00 0.00 C ATOM 56 CD1 LEU A 4 -6.328 2.217 -7.361 1.00 0.00 C ATOM 57 CD2 LEU A 4 -5.584 -0.142 -7.619 1.00 0.00 C ATOM 0 HA LEU A 4 -7.946 -1.748 -7.747 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.792 1.195 -7.640 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.996 0.356 -6.324 1.00 0.00 H new ATOM 0 HG LEU A 4 -6.782 0.897 -9.048 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.359 2.534 -7.745 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.085 2.951 -7.636 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.279 2.136 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -4.640 0.214 -8.030 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -5.498 -0.231 -6.536 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.821 -1.117 -8.046 1.00 0.00 H new ATOM 69 N THR A 5 -9.954 -2.560 -6.593 1.00 0.00 N ATOM 70 CA THR A 5 -11.074 -3.083 -5.757 1.00 0.00 C ATOM 71 C THR A 5 -11.067 -2.500 -4.298 1.00 0.00 C ATOM 72 O THR A 5 -10.005 -2.201 -3.752 1.00 0.00 O ATOM 73 CB THR A 5 -11.079 -4.648 -5.701 1.00 0.00 C ATOM 74 OG1 THR A 5 -9.932 -5.177 -5.043 1.00 0.00 O ATOM 75 CG2 THR A 5 -11.180 -5.342 -7.055 1.00 0.00 C ATOM 0 H THR A 5 -9.205 -3.235 -6.743 1.00 0.00 H new ATOM 0 HA THR A 5 -11.987 -2.746 -6.248 1.00 0.00 H new ATOM 0 HB THR A 5 -11.987 -4.859 -5.136 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.162 -5.141 -5.648 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.176 -6.422 -6.911 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.106 -5.045 -7.548 1.00 0.00 H new ATOM 0 HG23 THR A 5 -10.331 -5.055 -7.675 1.00 0.00 H new ATOM 83 N ALA A 6 -12.243 -2.352 -3.669 1.00 0.00 N ATOM 84 CA ALA A 6 -12.400 -1.601 -2.387 1.00 0.00 C ATOM 85 C ALA A 6 -11.391 -1.816 -1.203 1.00 0.00 C ATOM 86 O ALA A 6 -10.978 -0.832 -0.584 1.00 0.00 O ATOM 87 CB ALA A 6 -13.851 -1.837 -1.932 1.00 0.00 C ATOM 0 H ALA A 6 -13.116 -2.743 -4.023 1.00 0.00 H new ATOM 0 HA ALA A 6 -12.146 -0.571 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -14.029 -1.310 -0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -14.536 -1.464 -2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -14.017 -2.904 -1.786 1.00 0.00 H new ATOM 93 N ARG A 7 -10.987 -3.057 -0.905 1.00 0.00 N ATOM 94 CA ARG A 7 -9.939 -3.337 0.124 1.00 0.00 C ATOM 95 C ARG A 7 -8.468 -3.013 -0.322 1.00 0.00 C ATOM 96 O ARG A 7 -7.747 -2.357 0.433 1.00 0.00 O ATOM 97 CB ARG A 7 -10.146 -4.792 0.595 1.00 0.00 C ATOM 98 CG ARG A 7 -9.447 -5.181 1.909 1.00 0.00 C ATOM 99 CD ARG A 7 -10.122 -4.737 3.213 1.00 0.00 C ATOM 100 NE ARG A 7 -9.816 -3.331 3.562 1.00 0.00 N ATOM 101 CZ ARG A 7 -9.729 -2.841 4.795 1.00 0.00 C ATOM 102 NH1 ARG A 7 -9.874 -3.535 5.885 1.00 0.00 N ATOM 103 NH2 ARG A 7 -9.480 -1.585 4.927 1.00 0.00 N ATOM 0 H ARG A 7 -11.361 -3.893 -1.354 1.00 0.00 H new ATOM 0 HA ARG A 7 -10.066 -2.649 0.960 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.216 -4.967 0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.796 -5.461 -0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.347 -6.266 1.931 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.438 -4.768 1.892 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -11.201 -4.857 3.119 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -9.798 -5.388 4.025 1.00 0.00 H new ATOM 0 HE ARG A 7 -9.658 -2.683 2.790 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -10.070 -4.534 5.831 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -9.791 -3.080 6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -9.356 -1.000 4.101 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.406 -1.175 5.858 1.00 0.00 H new ATOM 116 N GLN A 8 -8.026 -3.406 -1.535 1.00 0.00 N ATOM 117 CA GLN A 8 -6.724 -2.926 -2.102 1.00 0.00 C ATOM 118 C GLN A 8 -6.622 -1.379 -2.403 1.00 0.00 C ATOM 119 O GLN A 8 -5.579 -0.775 -2.159 1.00 0.00 O ATOM 120 CB GLN A 8 -6.290 -3.833 -3.289 1.00 0.00 C ATOM 121 CG GLN A 8 -6.907 -3.506 -4.661 1.00 0.00 C ATOM 122 CD GLN A 8 -6.660 -4.486 -5.790 1.00 0.00 C ATOM 123 OE1 GLN A 8 -7.590 -5.019 -6.384 1.00 0.00 O ATOM 124 NE2 GLN A 8 -5.436 -4.712 -6.190 1.00 0.00 N ATOM 0 H GLN A 8 -8.536 -4.046 -2.143 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.993 -3.032 -1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.205 -3.780 -3.381 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -6.539 -4.865 -3.040 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -7.985 -3.408 -4.530 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -6.534 -2.531 -4.974 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.652 -4.275 -5.705 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.265 -5.325 -6.987 1.00 0.00 H new ATOM 133 N GLN A 9 -7.706 -0.755 -2.891 1.00 0.00 N ATOM 134 CA GLN A 9 -7.885 0.726 -2.916 1.00 0.00 C ATOM 135 C GLN A 9 -7.709 1.479 -1.549 1.00 0.00 C ATOM 136 O GLN A 9 -7.101 2.552 -1.522 1.00 0.00 O ATOM 137 CB GLN A 9 -9.286 0.960 -3.535 1.00 0.00 C ATOM 138 CG GLN A 9 -9.725 2.414 -3.784 1.00 0.00 C ATOM 139 CD GLN A 9 -8.933 3.217 -4.794 1.00 0.00 C ATOM 140 OE1 GLN A 9 -9.280 3.332 -5.961 1.00 0.00 O ATOM 141 NE2 GLN A 9 -7.853 3.831 -4.390 1.00 0.00 N ATOM 0 H GLN A 9 -8.499 -1.261 -3.287 1.00 0.00 H new ATOM 0 HA GLN A 9 -7.076 1.162 -3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.325 0.430 -4.487 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -10.023 0.494 -2.881 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -10.766 2.401 -4.106 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.692 2.944 -2.832 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -7.550 3.745 -3.420 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -7.313 4.396 -5.045 1.00 0.00 H new ATOM 150 N GLU A 10 -8.224 0.917 -0.446 1.00 0.00 N ATOM 151 CA GLU A 10 -7.900 1.377 0.932 1.00 0.00 C ATOM 152 C GLU A 10 -6.394 1.220 1.336 1.00 0.00 C ATOM 153 O GLU A 10 -5.810 2.210 1.781 1.00 0.00 O ATOM 154 CB GLU A 10 -8.863 0.665 1.919 1.00 0.00 C ATOM 155 CG GLU A 10 -10.292 1.253 1.888 1.00 0.00 C ATOM 156 CD GLU A 10 -11.307 0.454 2.682 1.00 0.00 C ATOM 157 OE1 GLU A 10 -11.652 0.747 3.822 1.00 0.00 O ATOM 158 OE2 GLU A 10 -11.793 -0.605 1.975 1.00 0.00 O ATOM 0 H GLU A 10 -8.876 0.133 -0.473 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.053 2.456 0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -8.906 -0.397 1.676 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.464 0.744 2.930 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.263 2.271 2.276 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -10.625 1.316 0.852 1.00 0.00 H new ATOM 166 N VAL A 11 -5.754 0.054 1.108 1.00 0.00 N ATOM 167 CA VAL A 11 -4.252 -0.102 1.182 1.00 0.00 C ATOM 168 C VAL A 11 -3.439 1.002 0.407 1.00 0.00 C ATOM 169 O VAL A 11 -2.536 1.611 0.986 1.00 0.00 O ATOM 170 CB VAL A 11 -3.845 -1.559 0.759 1.00 0.00 C ATOM 171 CG1 VAL A 11 -2.324 -1.814 0.671 1.00 0.00 C ATOM 172 CG2 VAL A 11 -4.396 -2.626 1.730 1.00 0.00 C ATOM 0 H VAL A 11 -6.242 -0.809 0.868 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.972 0.057 2.223 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.281 -1.644 -0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.145 -2.847 0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.884 -1.142 -0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.868 -1.634 1.644 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.088 -3.616 1.395 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -4.005 -2.444 2.731 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.484 -2.572 1.750 1.00 0.00 H new ATOM 182 N PHE A 12 -3.799 1.270 -0.854 1.00 0.00 N ATOM 183 CA PHE A 12 -3.254 2.408 -1.639 1.00 0.00 C ATOM 184 C PHE A 12 -3.392 3.839 -1.018 1.00 0.00 C ATOM 185 O PHE A 12 -2.431 4.602 -1.102 1.00 0.00 O ATOM 186 CB PHE A 12 -3.888 2.287 -3.048 1.00 0.00 C ATOM 187 CG PHE A 12 -3.217 3.094 -4.169 1.00 0.00 C ATOM 188 CD1 PHE A 12 -1.839 2.990 -4.429 1.00 0.00 C ATOM 189 CD2 PHE A 12 -3.992 3.922 -4.993 1.00 0.00 C ATOM 190 CE1 PHE A 12 -1.254 3.723 -5.460 1.00 0.00 C ATOM 191 CE2 PHE A 12 -3.409 4.634 -6.043 1.00 0.00 C ATOM 192 CZ PHE A 12 -2.039 4.540 -6.268 1.00 0.00 C ATOM 0 H PHE A 12 -4.477 0.709 -1.369 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.168 2.320 -1.659 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -3.885 1.235 -3.335 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.931 2.596 -2.981 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.228 2.336 -3.824 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -5.053 4.010 -4.813 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.190 3.657 -5.632 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -4.020 5.257 -6.679 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.584 5.102 -7.071 1.00 0.00 H new ATOM 202 N ASP A 13 -4.521 4.184 -0.372 1.00 0.00 N ATOM 203 CA ASP A 13 -4.694 5.504 0.297 1.00 0.00 C ATOM 204 C ASP A 13 -3.675 5.863 1.434 1.00 0.00 C ATOM 205 O ASP A 13 -3.159 6.978 1.408 1.00 0.00 O ATOM 206 CB ASP A 13 -6.166 5.600 0.760 1.00 0.00 C ATOM 207 CG ASP A 13 -6.618 7.003 1.135 1.00 0.00 C ATOM 208 OD1 ASP A 13 -6.898 7.331 2.284 1.00 0.00 O ATOM 209 OD2 ASP A 13 -6.667 7.846 0.062 1.00 0.00 O ATOM 0 H ASP A 13 -5.333 3.572 -0.294 1.00 0.00 H new ATOM 0 HA ASP A 13 -4.455 6.268 -0.442 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.809 5.225 -0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.307 4.944 1.619 1.00 0.00 H new ATOM 215 N LEU A 14 -3.359 4.964 2.377 1.00 0.00 N ATOM 216 CA LEU A 14 -2.241 5.195 3.362 1.00 0.00 C ATOM 217 C LEU A 14 -0.820 5.384 2.718 1.00 0.00 C ATOM 218 O LEU A 14 -0.080 6.278 3.135 1.00 0.00 O ATOM 219 CB LEU A 14 -2.342 4.047 4.392 1.00 0.00 C ATOM 220 CG LEU A 14 -1.552 4.103 5.712 1.00 0.00 C ATOM 221 CD1 LEU A 14 -0.046 3.906 5.563 1.00 0.00 C ATOM 222 CD2 LEU A 14 -1.842 5.350 6.547 1.00 0.00 C ATOM 0 H LEU A 14 -3.843 4.074 2.495 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.362 6.159 3.855 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.395 3.942 4.653 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.047 3.131 3.881 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.930 3.237 6.256 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.427 3.961 6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.151 2.930 5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.361 4.686 4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.250 5.321 7.462 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.581 6.240 5.974 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.902 5.379 6.801 1.00 0.00 H new ATOM 234 N ILE A 15 -0.479 4.605 1.680 1.00 0.00 N ATOM 235 CA ILE A 15 0.737 4.833 0.834 1.00 0.00 C ATOM 236 C ILE A 15 0.743 6.229 0.099 1.00 0.00 C ATOM 237 O ILE A 15 1.739 6.948 0.197 1.00 0.00 O ATOM 238 CB ILE A 15 0.959 3.630 -0.155 1.00 0.00 C ATOM 239 CG1 ILE A 15 1.024 2.243 0.557 1.00 0.00 C ATOM 240 CG2 ILE A 15 2.270 3.800 -0.971 1.00 0.00 C ATOM 241 CD1 ILE A 15 0.590 1.081 -0.340 1.00 0.00 C ATOM 0 H ILE A 15 -1.028 3.796 1.391 1.00 0.00 H new ATOM 0 HA ILE A 15 1.589 4.874 1.512 1.00 0.00 H new ATOM 0 HB ILE A 15 0.088 3.647 -0.810 1.00 0.00 H new ATOM 0 HG12 ILE A 15 2.043 2.066 0.901 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.388 2.267 1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.392 2.951 -1.644 1.00 0.00 H new ATOM 0 HG22 ILE A 15 2.220 4.720 -1.553 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.119 3.848 -0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.659 0.146 0.217 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.439 1.236 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 15 1.241 1.032 -1.213 1.00 0.00 H new ATOM 253 N ARG A 16 -0.353 6.614 -0.575 1.00 0.00 N ATOM 254 CA ARG A 16 -0.553 7.999 -1.080 1.00 0.00 C ATOM 255 C ARG A 16 -0.446 9.139 0.000 1.00 0.00 C ATOM 256 O ARG A 16 0.270 10.109 -0.233 1.00 0.00 O ATOM 257 CB ARG A 16 -1.921 8.110 -1.803 1.00 0.00 C ATOM 258 CG ARG A 16 -2.042 7.334 -3.128 1.00 0.00 C ATOM 259 CD ARG A 16 -3.380 7.577 -3.843 1.00 0.00 C ATOM 260 NE ARG A 16 -4.505 6.926 -3.130 1.00 0.00 N ATOM 261 CZ ARG A 16 -5.779 7.032 -3.451 1.00 0.00 C ATOM 262 NH1 ARG A 16 -6.236 7.742 -4.439 1.00 0.00 N ATOM 263 NH2 ARG A 16 -6.618 6.369 -2.732 1.00 0.00 N ATOM 0 H ARG A 16 -1.126 5.984 -0.789 1.00 0.00 H new ATOM 0 HA ARG A 16 0.279 8.164 -1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.699 7.758 -1.125 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.122 9.163 -2.000 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.225 7.624 -3.789 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.930 6.268 -2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.565 8.649 -3.915 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.324 7.194 -4.862 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.274 6.347 -2.323 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.592 8.268 -5.030 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.239 7.773 -4.624 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.284 5.797 -1.956 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.616 6.417 -2.938 1.00 0.00 H new ATOM 276 N ASP A 17 -1.116 9.006 1.148 1.00 0.00 N ATOM 277 CA ASP A 17 -1.016 9.967 2.279 1.00 0.00 C ATOM 278 C ASP A 17 0.417 10.172 2.890 1.00 0.00 C ATOM 279 O ASP A 17 0.839 11.321 3.033 1.00 0.00 O ATOM 280 CB ASP A 17 -2.033 9.516 3.359 1.00 0.00 C ATOM 281 CG ASP A 17 -3.478 9.887 3.064 1.00 0.00 C ATOM 282 OD1 ASP A 17 -3.834 10.995 2.676 1.00 0.00 O ATOM 283 OD2 ASP A 17 -4.336 8.860 3.300 1.00 0.00 O ATOM 0 H ASP A 17 -1.750 8.228 1.332 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.247 10.955 1.881 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.966 8.434 3.473 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -1.747 9.956 4.315 1.00 0.00 H new ATOM 289 N HIS A 18 1.157 9.104 3.213 1.00 0.00 N ATOM 290 CA HIS A 18 2.578 9.208 3.653 1.00 0.00 C ATOM 291 C HIS A 18 3.591 9.769 2.585 1.00 0.00 C ATOM 292 O HIS A 18 4.441 10.584 2.948 1.00 0.00 O ATOM 293 CB HIS A 18 3.018 7.812 4.149 1.00 0.00 C ATOM 294 CG HIS A 18 2.682 7.504 5.611 1.00 0.00 C ATOM 295 ND1 HIS A 18 3.659 7.334 6.585 1.00 0.00 N ATOM 296 CD2 HIS A 18 1.404 7.275 6.156 1.00 0.00 C ATOM 297 CE1 HIS A 18 2.861 7.016 7.651 1.00 0.00 C ATOM 298 NE2 HIS A 18 1.508 6.946 7.489 1.00 0.00 N ATOM 0 H HIS A 18 0.804 8.147 3.182 1.00 0.00 H new ATOM 0 HA HIS A 18 2.609 9.957 4.445 1.00 0.00 H new ATOM 0 HB2 HIS A 18 2.550 7.056 3.518 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.095 7.719 4.013 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.476 7.347 5.608 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.301 6.821 8.618 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.779 6.715 8.165 1.00 0.00 H new ATOM 306 N ILE A 19 3.489 9.375 1.308 1.00 0.00 N ATOM 307 CA ILE A 19 4.289 9.988 0.197 1.00 0.00 C ATOM 308 C ILE A 19 3.877 11.477 -0.119 1.00 0.00 C ATOM 309 O ILE A 19 4.762 12.330 -0.193 1.00 0.00 O ATOM 310 CB ILE A 19 4.246 9.039 -1.056 1.00 0.00 C ATOM 311 CG1 ILE A 19 4.956 7.669 -0.826 1.00 0.00 C ATOM 312 CG2 ILE A 19 4.772 9.663 -2.370 1.00 0.00 C ATOM 313 CD1 ILE A 19 6.479 7.691 -0.719 1.00 0.00 C ATOM 0 H ILE A 19 2.862 8.632 1.001 1.00 0.00 H new ATOM 0 HA ILE A 19 5.326 10.074 0.521 1.00 0.00 H new ATOM 0 HB ILE A 19 3.176 8.871 -1.179 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.558 7.230 0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.683 7.003 -1.645 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.701 8.931 -3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.173 10.538 -2.622 1.00 0.00 H new ATOM 0 HG23 ILE A 19 5.813 9.960 -2.241 1.00 0.00 H new ATOM 0 HD11 ILE A 19 6.847 6.677 -0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 19 6.903 8.091 -1.640 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.776 8.320 0.120 1.00 0.00 H new ATOM 325 N SER A 20 2.588 11.785 -0.321 1.00 0.00 N ATOM 326 CA SER A 20 2.132 13.150 -0.693 1.00 0.00 C ATOM 327 C SER A 20 2.155 14.253 0.415 1.00 0.00 C ATOM 328 O SER A 20 2.420 15.408 0.079 1.00 0.00 O ATOM 329 CB SER A 20 0.698 13.036 -1.275 1.00 0.00 C ATOM 330 OG SER A 20 0.315 14.244 -1.935 1.00 0.00 O ATOM 0 H SER A 20 1.830 11.107 -0.234 1.00 0.00 H new ATOM 0 HA SER A 20 2.873 13.502 -1.411 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.652 12.204 -1.977 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.007 12.816 -0.473 1.00 0.00 H new ATOM 0 HG SER A 20 -0.591 14.147 -2.295 1.00 0.00 H new ATOM 336 N GLN A 21 1.819 13.935 1.673 1.00 0.00 N ATOM 337 CA GLN A 21 1.862 14.919 2.791 1.00 0.00 C ATOM 338 C GLN A 21 3.258 14.989 3.509 1.00 0.00 C ATOM 339 O GLN A 21 3.804 16.083 3.654 1.00 0.00 O ATOM 340 CB GLN A 21 0.729 14.624 3.813 1.00 0.00 C ATOM 341 CG GLN A 21 -0.701 14.842 3.267 1.00 0.00 C ATOM 342 CD GLN A 21 -1.781 14.597 4.310 1.00 0.00 C ATOM 343 OE1 GLN A 21 -2.016 15.400 5.204 1.00 0.00 O ATOM 344 NE2 GLN A 21 -2.495 13.503 4.242 1.00 0.00 N ATOM 0 H GLN A 21 1.512 13.004 1.954 1.00 0.00 H new ATOM 0 HA GLN A 21 1.703 15.902 2.347 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.822 13.592 4.151 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.871 15.259 4.687 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.789 15.862 2.894 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.865 14.177 2.419 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.315 12.821 3.505 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -3.232 13.332 4.926 1.00 0.00 H new ATOM 353 N THR A 22 3.805 13.852 3.960 1.00 0.00 N ATOM 354 CA THR A 22 5.111 13.806 4.680 1.00 0.00 C ATOM 355 C THR A 22 6.395 13.513 3.818 1.00 0.00 C ATOM 356 O THR A 22 7.493 13.814 4.288 1.00 0.00 O ATOM 357 CB THR A 22 5.043 12.784 5.872 1.00 0.00 C ATOM 358 OG1 THR A 22 4.552 11.504 5.484 1.00 0.00 O ATOM 359 CG2 THR A 22 4.163 13.257 7.028 1.00 0.00 C ATOM 0 H THR A 22 3.368 12.938 3.844 1.00 0.00 H new ATOM 0 HA THR A 22 5.242 14.831 5.026 1.00 0.00 H new ATOM 0 HB THR A 22 6.081 12.711 6.196 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.630 11.404 4.512 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.161 12.504 7.816 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.554 14.194 7.423 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.145 13.411 6.671 1.00 0.00 H new ATOM 367 N GLY A 23 6.284 12.916 2.622 1.00 0.00 N ATOM 368 CA GLY A 23 7.461 12.519 1.807 1.00 0.00 C ATOM 369 C GLY A 23 8.230 11.244 2.212 1.00 0.00 C ATOM 370 O GLY A 23 9.459 11.246 2.146 1.00 0.00 O ATOM 0 H GLY A 23 5.388 12.693 2.188 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.126 12.393 0.777 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.166 13.350 1.814 1.00 0.00 H new ATOM 374 N MET A 24 7.535 10.160 2.589 1.00 0.00 N ATOM 375 CA MET A 24 8.190 8.939 3.138 1.00 0.00 C ATOM 376 C MET A 24 7.425 7.605 2.815 1.00 0.00 C ATOM 377 O MET A 24 6.191 7.614 2.833 1.00 0.00 O ATOM 378 CB MET A 24 8.495 9.087 4.651 1.00 0.00 C ATOM 379 CG MET A 24 7.304 9.312 5.588 1.00 0.00 C ATOM 380 SD MET A 24 7.902 9.328 7.288 1.00 0.00 S ATOM 381 CE MET A 24 6.363 9.716 8.134 1.00 0.00 C ATOM 0 H MET A 24 6.519 10.094 2.528 1.00 0.00 H new ATOM 0 HA MET A 24 9.142 8.853 2.614 1.00 0.00 H new ATOM 0 HB2 MET A 24 9.018 8.189 4.979 1.00 0.00 H new ATOM 0 HB3 MET A 24 9.185 9.921 4.776 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.810 10.255 5.352 1.00 0.00 H new ATOM 0 HG3 MET A 24 6.564 8.523 5.455 1.00 0.00 H new ATOM 0 HE1 MET A 24 6.541 9.767 9.208 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.987 10.677 7.782 1.00 0.00 H new ATOM 0 HE3 MET A 24 5.627 8.939 7.925 1.00 0.00 H new ATOM 391 N PRO A 25 8.079 6.443 2.528 1.00 0.00 N ATOM 392 CA PRO A 25 7.347 5.189 2.138 1.00 0.00 C ATOM 393 C PRO A 25 6.921 4.291 3.345 1.00 0.00 C ATOM 394 O PRO A 25 7.815 3.815 4.053 1.00 0.00 O ATOM 395 CB PRO A 25 8.409 4.543 1.213 1.00 0.00 C ATOM 396 CG PRO A 25 9.766 4.900 1.853 1.00 0.00 C ATOM 397 CD PRO A 25 9.548 6.340 2.342 1.00 0.00 C ATOM 0 HA PRO A 25 6.377 5.358 1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 25 8.274 3.463 1.151 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.337 4.932 0.197 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.014 4.228 2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.581 4.837 1.132 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.082 6.529 3.273 1.00 0.00 H new ATOM 0 HD3 PRO A 25 9.909 7.067 1.614 1.00 0.00 H new ATOM 405 N PRO A 26 5.622 4.010 3.644 1.00 0.00 N ATOM 406 CA PRO A 26 5.231 3.329 4.924 1.00 0.00 C ATOM 407 C PRO A 26 5.458 1.797 5.023 1.00 0.00 C ATOM 408 O PRO A 26 5.853 1.106 4.082 1.00 0.00 O ATOM 409 CB PRO A 26 3.742 3.762 5.064 1.00 0.00 C ATOM 410 CG PRO A 26 3.250 3.933 3.617 1.00 0.00 C ATOM 411 CD PRO A 26 4.463 4.539 2.894 1.00 0.00 C ATOM 0 HA PRO A 26 5.879 3.630 5.747 1.00 0.00 H new ATOM 0 HB2 PRO A 26 3.159 3.010 5.595 1.00 0.00 H new ATOM 0 HB3 PRO A 26 3.651 4.691 5.626 1.00 0.00 H new ATOM 0 HG2 PRO A 26 2.956 2.980 3.178 1.00 0.00 H new ATOM 0 HG3 PRO A 26 2.382 4.590 3.563 1.00 0.00 H new ATOM 0 HD2 PRO A 26 4.494 4.240 1.846 1.00 0.00 H new ATOM 0 HD3 PRO A 26 4.437 5.629 2.914 1.00 0.00 H new ATOM 419 N THR A 27 5.201 1.299 6.231 1.00 0.00 N ATOM 420 CA THR A 27 5.258 -0.140 6.578 1.00 0.00 C ATOM 421 C THR A 27 3.848 -0.833 6.460 1.00 0.00 C ATOM 422 O THR A 27 2.806 -0.202 6.677 1.00 0.00 O ATOM 423 CB THR A 27 5.755 -0.324 8.065 1.00 0.00 C ATOM 424 OG1 THR A 27 4.837 0.222 9.009 1.00 0.00 O ATOM 425 CG2 THR A 27 7.093 0.311 8.406 1.00 0.00 C ATOM 0 H THR A 27 4.940 1.889 7.021 1.00 0.00 H new ATOM 0 HA THR A 27 5.948 -0.603 5.872 1.00 0.00 H new ATOM 0 HB THR A 27 5.848 -1.408 8.130 1.00 0.00 H new ATOM 0 HG1 THR A 27 4.837 1.199 8.938 1.00 0.00 H new ATOM 0 HG21 THR A 27 7.330 0.119 9.452 1.00 0.00 H new ATOM 0 HG22 THR A 27 7.871 -0.117 7.773 1.00 0.00 H new ATOM 0 HG23 THR A 27 7.039 1.386 8.237 1.00 0.00 H new ATOM 433 N ARG A 28 3.818 -2.159 6.261 1.00 0.00 N ATOM 434 CA ARG A 28 2.567 -2.966 6.433 1.00 0.00 C ATOM 435 C ARG A 28 1.883 -2.938 7.854 1.00 0.00 C ATOM 436 O ARG A 28 0.660 -3.073 7.924 1.00 0.00 O ATOM 437 CB ARG A 28 2.837 -4.424 5.984 1.00 0.00 C ATOM 438 CG ARG A 28 3.008 -4.590 4.458 1.00 0.00 C ATOM 439 CD ARG A 28 4.288 -5.311 4.022 1.00 0.00 C ATOM 440 NE ARG A 28 5.491 -4.473 4.246 1.00 0.00 N ATOM 441 CZ ARG A 28 6.694 -4.721 3.743 1.00 0.00 C ATOM 442 NH1 ARG A 28 6.993 -5.750 3.006 1.00 0.00 N ATOM 443 NH2 ARG A 28 7.636 -3.883 3.997 1.00 0.00 N ATOM 0 H ARG A 28 4.632 -2.707 5.982 1.00 0.00 H new ATOM 0 HA ARG A 28 1.831 -2.474 5.798 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.737 -4.786 6.482 1.00 0.00 H new ATOM 0 HB3 ARG A 28 2.013 -5.055 6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.150 -5.139 4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.990 -3.603 3.997 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.386 -6.245 4.575 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.217 -5.572 2.966 1.00 0.00 H new ATOM 0 HE ARG A 28 5.386 -3.644 4.831 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.276 -6.439 2.777 1.00 0.00 H new ATOM 0 HH12 ARG A 28 7.944 -5.868 2.657 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.446 -3.060 4.569 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.573 -4.042 3.627 1.00 0.00 H new ATOM 456 N ALA A 29 2.638 -2.729 8.945 1.00 0.00 N ATOM 457 CA ALA A 29 2.062 -2.370 10.267 1.00 0.00 C ATOM 458 C ALA A 29 1.295 -1.003 10.352 1.00 0.00 C ATOM 459 O ALA A 29 0.203 -0.973 10.917 1.00 0.00 O ATOM 460 CB ALA A 29 3.216 -2.444 11.278 1.00 0.00 C ATOM 0 H ALA A 29 3.655 -2.801 8.945 1.00 0.00 H new ATOM 0 HA ALA A 29 1.265 -3.082 10.484 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.847 -2.188 12.271 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.623 -3.455 11.292 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.998 -1.742 10.990 1.00 0.00 H new ATOM 466 N GLU A 30 1.820 0.089 9.773 1.00 0.00 N ATOM 467 CA GLU A 30 1.052 1.360 9.584 1.00 0.00 C ATOM 468 C GLU A 30 -0.216 1.256 8.651 1.00 0.00 C ATOM 469 O GLU A 30 -1.256 1.827 8.987 1.00 0.00 O ATOM 470 CB GLU A 30 2.019 2.448 9.041 1.00 0.00 C ATOM 471 CG GLU A 30 3.063 2.946 10.065 1.00 0.00 C ATOM 472 CD GLU A 30 4.283 3.575 9.412 1.00 0.00 C ATOM 473 OE1 GLU A 30 5.002 2.973 8.625 1.00 0.00 O ATOM 474 OE2 GLU A 30 4.507 4.852 9.813 1.00 0.00 O ATOM 0 H GLU A 30 2.777 0.131 9.422 1.00 0.00 H new ATOM 0 HA GLU A 30 0.653 1.618 10.565 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.543 2.050 8.172 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.432 3.299 8.697 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.596 3.675 10.727 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.381 2.109 10.687 1.00 0.00 H new ATOM 482 N ILE A 31 -0.134 0.503 7.541 1.00 0.00 N ATOM 483 CA ILE A 31 -1.325 0.082 6.729 1.00 0.00 C ATOM 484 C ILE A 31 -2.402 -0.697 7.580 1.00 0.00 C ATOM 485 O ILE A 31 -3.570 -0.310 7.563 1.00 0.00 O ATOM 486 CB ILE A 31 -0.841 -0.702 5.449 1.00 0.00 C ATOM 487 CG1 ILE A 31 0.041 0.196 4.522 1.00 0.00 C ATOM 488 CG2 ILE A 31 -2.008 -1.247 4.590 1.00 0.00 C ATOM 489 CD1 ILE A 31 0.826 -0.548 3.444 1.00 0.00 C ATOM 0 H ILE A 31 0.752 0.161 7.168 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.850 0.975 6.392 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.263 -1.539 5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -0.602 0.931 4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 31 0.745 0.749 5.144 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.607 -1.776 3.725 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.610 -1.932 5.187 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.629 -0.418 4.252 1.00 0.00 H new ATOM 0 HD11 ILE A 31 1.404 0.166 2.857 1.00 0.00 H new ATOM 0 HD12 ILE A 31 1.502 -1.263 3.914 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.134 -1.079 2.791 1.00 0.00 H new ATOM 501 N ALA A 32 -2.014 -1.737 8.334 1.00 0.00 N ATOM 502 CA ALA A 32 -2.912 -2.407 9.308 1.00 0.00 C ATOM 503 C ALA A 32 -3.516 -1.553 10.473 1.00 0.00 C ATOM 504 O ALA A 32 -4.706 -1.697 10.763 1.00 0.00 O ATOM 505 CB ALA A 32 -2.139 -3.627 9.833 1.00 0.00 C ATOM 0 H ALA A 32 -1.078 -2.140 8.292 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.823 -2.663 8.766 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -2.753 -4.162 10.557 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -1.897 -4.290 9.002 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.218 -3.295 10.312 1.00 0.00 H new ATOM 511 N GLN A 33 -2.719 -0.687 11.112 1.00 0.00 N ATOM 512 CA GLN A 33 -3.171 0.168 12.241 1.00 0.00 C ATOM 513 C GLN A 33 -4.216 1.279 11.895 1.00 0.00 C ATOM 514 O GLN A 33 -5.181 1.432 12.647 1.00 0.00 O ATOM 515 CB GLN A 33 -1.878 0.746 12.878 1.00 0.00 C ATOM 516 CG GLN A 33 -2.078 1.393 14.265 1.00 0.00 C ATOM 517 CD GLN A 33 -0.815 2.049 14.802 1.00 0.00 C ATOM 518 OE1 GLN A 33 0.077 1.409 15.345 1.00 0.00 O ATOM 519 NE2 GLN A 33 -0.684 3.345 14.680 1.00 0.00 N ATOM 0 H GLN A 33 -1.738 -0.552 10.867 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.741 -0.449 12.935 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.144 -0.055 12.968 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.457 1.490 12.202 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.870 2.140 14.201 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.414 0.632 14.970 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.418 3.892 14.230 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.152 3.809 15.035 1.00 0.00 H new ATOM 528 N ARG A 34 -4.031 2.054 10.813 1.00 0.00 N ATOM 529 CA ARG A 34 -5.051 3.054 10.368 1.00 0.00 C ATOM 530 C ARG A 34 -6.314 2.442 9.673 1.00 0.00 C ATOM 531 O ARG A 34 -7.434 2.857 9.978 1.00 0.00 O ATOM 532 CB ARG A 34 -4.322 4.115 9.501 1.00 0.00 C ATOM 533 CG ARG A 34 -5.015 5.491 9.403 1.00 0.00 C ATOM 534 CD ARG A 34 -6.124 5.645 8.355 1.00 0.00 C ATOM 535 NE ARG A 34 -5.549 5.794 6.998 1.00 0.00 N ATOM 536 CZ ARG A 34 -6.209 6.180 5.920 1.00 0.00 C ATOM 537 NH1 ARG A 34 -7.478 6.461 5.889 1.00 0.00 N ATOM 538 NH2 ARG A 34 -5.543 6.287 4.824 1.00 0.00 N ATOM 0 H ARG A 34 -3.197 2.018 10.227 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.483 3.524 11.251 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.320 4.261 9.905 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.204 3.716 8.494 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.438 5.726 10.380 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.250 6.240 9.198 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -6.780 4.775 8.383 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.737 6.515 8.593 1.00 0.00 H new ATOM 0 HE ARG A 34 -4.558 5.580 6.886 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.037 6.390 6.739 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.915 6.753 5.015 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.545 6.077 4.811 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.013 6.582 3.968 1.00 0.00 H new ATOM 551 N LEU A 35 -6.137 1.492 8.749 1.00 0.00 N ATOM 552 CA LEU A 35 -7.241 0.968 7.899 1.00 0.00 C ATOM 553 C LEU A 35 -8.052 -0.267 8.448 1.00 0.00 C ATOM 554 O LEU A 35 -9.115 -0.568 7.897 1.00 0.00 O ATOM 555 CB LEU A 35 -6.626 0.583 6.524 1.00 0.00 C ATOM 556 CG LEU A 35 -5.936 1.718 5.728 1.00 0.00 C ATOM 557 CD1 LEU A 35 -5.062 1.082 4.647 1.00 0.00 C ATOM 558 CD2 LEU A 35 -6.941 2.685 5.107 1.00 0.00 C ATOM 0 H LEU A 35 -5.233 1.058 8.560 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.977 1.771 7.858 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -5.896 -0.210 6.688 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.418 0.164 5.903 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.328 2.308 6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.566 1.865 4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.312 0.444 5.114 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.684 0.483 3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.408 3.462 4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.593 2.142 4.423 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.541 3.142 5.894 1.00 0.00 H new ATOM 570 N GLY A 36 -7.566 -0.979 9.476 1.00 0.00 N ATOM 571 CA GLY A 36 -8.292 -2.122 10.076 1.00 0.00 C ATOM 572 C GLY A 36 -7.996 -3.509 9.482 1.00 0.00 C ATOM 573 O GLY A 36 -8.906 -4.170 8.980 1.00 0.00 O ATOM 0 H GLY A 36 -6.666 -0.785 9.916 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -8.063 -2.151 11.141 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -9.362 -1.933 9.985 1.00 0.00 H new ATOM 577 N PHE A 37 -6.748 -3.971 9.610 1.00 0.00 N ATOM 578 CA PHE A 37 -6.362 -5.359 9.251 1.00 0.00 C ATOM 579 C PHE A 37 -5.858 -6.089 10.541 1.00 0.00 C ATOM 580 O PHE A 37 -4.873 -5.670 11.154 1.00 0.00 O ATOM 581 CB PHE A 37 -5.255 -5.389 8.166 1.00 0.00 C ATOM 582 CG PHE A 37 -5.686 -4.916 6.772 1.00 0.00 C ATOM 583 CD1 PHE A 37 -6.228 -5.832 5.859 1.00 0.00 C ATOM 584 CD2 PHE A 37 -5.540 -3.575 6.374 1.00 0.00 C ATOM 585 CE1 PHE A 37 -6.607 -5.424 4.581 1.00 0.00 C ATOM 586 CE2 PHE A 37 -5.921 -3.167 5.096 1.00 0.00 C ATOM 587 CZ PHE A 37 -6.450 -4.094 4.202 1.00 0.00 C ATOM 0 H PHE A 37 -5.975 -3.406 9.962 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.235 -5.865 8.839 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -4.425 -4.767 8.501 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.878 -6.408 8.084 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.353 -6.865 6.149 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.129 -2.854 7.065 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.022 -6.139 3.886 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.806 -2.135 4.801 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.740 -3.780 3.210 1.00 0.00 H new ATOM 597 N ARG A 38 -6.513 -7.198 10.916 1.00 0.00 N ATOM 598 CA ARG A 38 -6.167 -7.966 12.155 1.00 0.00 C ATOM 599 C ARG A 38 -4.678 -8.470 12.297 1.00 0.00 C ATOM 600 O ARG A 38 -4.133 -8.438 13.400 1.00 0.00 O ATOM 601 CB ARG A 38 -7.146 -9.163 12.304 1.00 0.00 C ATOM 602 CG ARG A 38 -8.606 -8.770 12.602 1.00 0.00 C ATOM 603 CD ARG A 38 -9.516 -10.003 12.706 1.00 0.00 C ATOM 604 NE ARG A 38 -10.906 -9.578 12.992 1.00 0.00 N ATOM 605 CZ ARG A 38 -11.848 -9.323 12.098 1.00 0.00 C ATOM 606 NH1 ARG A 38 -11.683 -9.398 10.810 1.00 0.00 N ATOM 607 NH2 ARG A 38 -13.005 -8.972 12.543 1.00 0.00 N ATOM 0 H ARG A 38 -7.289 -7.596 10.388 1.00 0.00 H new ATOM 0 HA ARG A 38 -6.270 -7.240 12.961 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.123 -9.750 11.386 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.788 -9.810 13.105 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.648 -8.207 13.534 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.974 -8.112 11.815 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.483 -10.570 11.776 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.159 -10.665 13.495 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.162 -9.472 13.974 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.777 -9.669 10.427 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.459 -9.186 10.183 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.165 -8.900 13.548 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -13.761 -8.766 11.890 1.00 0.00 H new ATOM 620 N SER A 39 -4.045 -8.895 11.195 1.00 0.00 N ATOM 621 CA SER A 39 -2.565 -8.960 11.103 1.00 0.00 C ATOM 622 C SER A 39 -2.036 -8.129 9.875 1.00 0.00 C ATOM 623 O SER A 39 -2.706 -8.126 8.831 1.00 0.00 O ATOM 624 CB SER A 39 -2.144 -10.448 10.966 1.00 0.00 C ATOM 625 OG SER A 39 -0.724 -10.571 10.934 1.00 0.00 O ATOM 0 H SER A 39 -4.528 -9.201 10.350 1.00 0.00 H new ATOM 0 HA SER A 39 -2.129 -8.528 12.004 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.545 -11.022 11.801 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.571 -10.869 10.056 1.00 0.00 H new ATOM 0 HG SER A 39 -0.470 -11.266 10.292 1.00 0.00 H new ATOM 631 N PRO A 40 -0.819 -7.509 9.883 1.00 0.00 N ATOM 632 CA PRO A 40 -0.163 -7.016 8.618 1.00 0.00 C ATOM 633 C PRO A 40 0.128 -8.041 7.473 1.00 0.00 C ATOM 634 O PRO A 40 0.369 -7.619 6.342 1.00 0.00 O ATOM 635 CB PRO A 40 1.107 -6.320 9.164 1.00 0.00 C ATOM 636 CG PRO A 40 1.435 -7.067 10.473 1.00 0.00 C ATOM 637 CD PRO A 40 0.053 -7.378 11.072 1.00 0.00 C ATOM 0 HA PRO A 40 -0.850 -6.376 8.065 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.931 -6.387 8.454 1.00 0.00 H new ATOM 0 HB3 PRO A 40 0.929 -5.260 9.347 1.00 0.00 H new ATOM 0 HG2 PRO A 40 2.003 -7.978 10.283 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.034 -6.453 11.145 1.00 0.00 H new ATOM 0 HD2 PRO A 40 0.068 -8.295 11.661 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.287 -6.580 11.733 1.00 0.00 H new ATOM 645 N ASN A 41 0.029 -9.356 7.732 1.00 0.00 N ATOM 646 CA ASN A 41 -0.076 -10.396 6.675 1.00 0.00 C ATOM 647 C ASN A 41 -1.305 -10.237 5.684 1.00 0.00 C ATOM 648 O ASN A 41 -1.123 -10.423 4.481 1.00 0.00 O ATOM 649 CB ASN A 41 -0.153 -11.814 7.305 1.00 0.00 C ATOM 650 CG ASN A 41 0.966 -12.234 8.236 1.00 0.00 C ATOM 651 OD1 ASN A 41 0.798 -12.288 9.448 1.00 0.00 O ATOM 652 ND2 ASN A 41 2.126 -12.565 7.732 1.00 0.00 N ATOM 0 H ASN A 41 0.019 -9.736 8.679 1.00 0.00 H new ATOM 0 HA ASN A 41 0.830 -10.260 6.084 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -1.091 -11.886 7.855 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -0.203 -12.539 6.493 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.882 -12.865 8.347 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.275 -12.523 6.724 1.00 0.00 H new ATOM 659 N ALA A 42 -2.504 -9.889 6.183 1.00 0.00 N ATOM 660 CA ALA A 42 -3.654 -9.502 5.320 1.00 0.00 C ATOM 661 C ALA A 42 -3.495 -8.170 4.509 1.00 0.00 C ATOM 662 O ALA A 42 -3.849 -8.143 3.329 1.00 0.00 O ATOM 663 CB ALA A 42 -4.890 -9.482 6.229 1.00 0.00 C ATOM 0 H ALA A 42 -2.711 -9.865 7.182 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.737 -10.238 4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.767 -9.203 5.645 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.041 -10.472 6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.741 -8.757 7.029 1.00 0.00 H new ATOM 669 N ALA A 43 -2.915 -7.112 5.102 1.00 0.00 N ATOM 670 CA ALA A 43 -2.427 -5.931 4.340 1.00 0.00 C ATOM 671 C ALA A 43 -1.367 -6.234 3.221 1.00 0.00 C ATOM 672 O ALA A 43 -1.567 -5.820 2.079 1.00 0.00 O ATOM 673 CB ALA A 43 -1.907 -4.930 5.380 1.00 0.00 C ATOM 0 H ALA A 43 -2.769 -7.043 6.109 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.257 -5.526 3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.535 -4.040 4.874 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.717 -4.652 6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.099 -5.386 5.952 1.00 0.00 H new ATOM 679 N GLU A 44 -0.309 -7.008 3.527 1.00 0.00 N ATOM 680 CA GLU A 44 0.602 -7.595 2.504 1.00 0.00 C ATOM 681 C GLU A 44 -0.050 -8.488 1.389 1.00 0.00 C ATOM 682 O GLU A 44 0.417 -8.423 0.252 1.00 0.00 O ATOM 683 CB GLU A 44 1.721 -8.334 3.283 1.00 0.00 C ATOM 684 CG GLU A 44 2.826 -9.030 2.466 1.00 0.00 C ATOM 685 CD GLU A 44 3.693 -8.164 1.573 1.00 0.00 C ATOM 686 OE1 GLU A 44 4.805 -7.765 1.901 1.00 0.00 O ATOM 687 OE2 GLU A 44 3.105 -7.901 0.369 1.00 0.00 O ATOM 0 H GLU A 44 -0.055 -7.249 4.485 1.00 0.00 H new ATOM 0 HA GLU A 44 0.987 -6.773 1.900 1.00 0.00 H new ATOM 0 HB2 GLU A 44 2.199 -7.613 3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.248 -9.086 3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 44 3.480 -9.553 3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 44 2.354 -9.789 1.842 1.00 0.00 H new ATOM 695 N GLU A 45 -1.076 -9.295 1.684 1.00 0.00 N ATOM 696 CA GLU A 45 -1.844 -10.056 0.652 1.00 0.00 C ATOM 697 C GLU A 45 -2.562 -9.183 -0.434 1.00 0.00 C ATOM 698 O GLU A 45 -2.388 -9.451 -1.624 1.00 0.00 O ATOM 699 CB GLU A 45 -2.802 -10.987 1.438 1.00 0.00 C ATOM 700 CG GLU A 45 -3.561 -12.016 0.579 1.00 0.00 C ATOM 701 CD GLU A 45 -4.457 -12.922 1.411 1.00 0.00 C ATOM 702 OE1 GLU A 45 -5.547 -12.584 1.860 1.00 0.00 O ATOM 703 OE2 GLU A 45 -3.912 -14.152 1.608 1.00 0.00 O ATOM 0 H GLU A 45 -1.408 -9.449 2.636 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.153 -10.628 0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.226 -11.521 2.194 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.529 -10.371 1.968 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.166 -11.491 -0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -2.844 -12.625 0.029 1.00 0.00 H new ATOM 711 N HIS A 46 -3.311 -8.138 -0.044 1.00 0.00 N ATOM 712 CA HIS A 46 -3.812 -7.111 -1.009 1.00 0.00 C ATOM 713 C HIS A 46 -2.703 -6.243 -1.704 1.00 0.00 C ATOM 714 O HIS A 46 -2.825 -5.971 -2.899 1.00 0.00 O ATOM 715 CB HIS A 46 -4.853 -6.188 -0.327 1.00 0.00 C ATOM 716 CG HIS A 46 -6.174 -6.886 -0.004 1.00 0.00 C ATOM 717 ND1 HIS A 46 -7.101 -7.251 -0.969 1.00 0.00 N ATOM 718 CD2 HIS A 46 -6.519 -7.421 1.245 1.00 0.00 C ATOM 719 CE1 HIS A 46 -7.923 -8.031 -0.199 1.00 0.00 C ATOM 720 NE2 HIS A 46 -7.659 -8.186 1.136 1.00 0.00 N ATOM 0 H HIS A 46 -3.588 -7.971 0.923 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.273 -7.687 -1.811 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -4.426 -5.792 0.595 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.052 -5.336 -0.977 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -5.970 -7.257 2.161 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -8.776 -8.522 -0.643 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -8.163 -8.717 1.847 1.00 0.00 H new ATOM 728 N LEU A 47 -1.637 -5.860 -0.985 1.00 0.00 N ATOM 729 CA LEU A 47 -0.416 -5.254 -1.583 1.00 0.00 C ATOM 730 C LEU A 47 0.285 -6.074 -2.732 1.00 0.00 C ATOM 731 O LEU A 47 0.725 -5.447 -3.695 1.00 0.00 O ATOM 732 CB LEU A 47 0.558 -4.997 -0.402 1.00 0.00 C ATOM 733 CG LEU A 47 1.715 -4.017 -0.669 1.00 0.00 C ATOM 734 CD1 LEU A 47 1.245 -2.563 -0.619 1.00 0.00 C ATOM 735 CD2 LEU A 47 2.813 -4.209 0.390 1.00 0.00 C ATOM 0 H LEU A 47 -1.588 -5.958 0.029 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.717 -4.344 -2.101 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.020 -4.621 0.442 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.984 -5.953 -0.096 1.00 0.00 H new ATOM 0 HG LEU A 47 2.099 -4.228 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.089 -1.901 -0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.477 -2.403 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.833 -2.347 0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.630 -3.514 0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.400 -4.019 1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.188 -5.231 0.344 1.00 0.00 H new ATOM 747 N LYS A 48 0.359 -7.420 -2.670 1.00 0.00 N ATOM 748 CA LYS A 48 0.826 -8.265 -3.811 1.00 0.00 C ATOM 749 C LYS A 48 0.033 -8.057 -5.155 1.00 0.00 C ATOM 750 O LYS A 48 0.643 -7.669 -6.152 1.00 0.00 O ATOM 751 CB LYS A 48 0.801 -9.764 -3.416 1.00 0.00 C ATOM 752 CG LYS A 48 1.851 -10.207 -2.381 1.00 0.00 C ATOM 753 CD LYS A 48 1.701 -11.716 -2.110 1.00 0.00 C ATOM 754 CE LYS A 48 2.704 -12.281 -1.099 1.00 0.00 C ATOM 755 NZ LYS A 48 2.278 -12.024 0.292 1.00 0.00 N ATOM 0 H LYS A 48 0.102 -7.956 -1.841 1.00 0.00 H new ATOM 0 HA LYS A 48 1.845 -7.935 -4.012 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.188 -9.999 -3.024 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.936 -10.359 -4.319 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.854 -9.991 -2.749 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.724 -9.646 -1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.691 -11.909 -1.748 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.810 -12.254 -3.051 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.812 -13.354 -1.254 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.683 -11.834 -1.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.116 -11.866 0.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.670 -11.181 0.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.748 -12.844 0.650 1.00 0.00 H new ATOM 768 N ALA A 49 -1.299 -8.242 -5.157 1.00 0.00 N ATOM 769 CA ALA A 49 -2.161 -7.834 -6.300 1.00 0.00 C ATOM 770 C ALA A 49 -2.080 -6.328 -6.736 1.00 0.00 C ATOM 771 O ALA A 49 -2.019 -6.045 -7.931 1.00 0.00 O ATOM 772 CB ALA A 49 -3.598 -8.236 -5.931 1.00 0.00 C ATOM 0 H ALA A 49 -1.809 -8.670 -4.385 1.00 0.00 H new ATOM 0 HA ALA A 49 -1.791 -8.349 -7.187 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.273 -7.957 -6.740 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.645 -9.314 -5.774 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -3.896 -7.723 -5.017 1.00 0.00 H new ATOM 778 N LEU A 50 -2.040 -5.399 -5.775 1.00 0.00 N ATOM 779 CA LEU A 50 -1.781 -3.954 -6.022 1.00 0.00 C ATOM 780 C LEU A 50 -0.428 -3.608 -6.741 1.00 0.00 C ATOM 781 O LEU A 50 -0.442 -2.864 -7.723 1.00 0.00 O ATOM 782 CB LEU A 50 -1.927 -3.297 -4.622 1.00 0.00 C ATOM 783 CG LEU A 50 -2.149 -1.781 -4.575 1.00 0.00 C ATOM 784 CD1 LEU A 50 -3.534 -1.394 -5.071 1.00 0.00 C ATOM 785 CD2 LEU A 50 -2.008 -1.275 -3.130 1.00 0.00 C ATOM 0 H LEU A 50 -2.186 -5.619 -4.790 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.491 -3.562 -6.751 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.762 -3.776 -4.110 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.029 -3.524 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.399 -1.330 -5.224 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.649 -0.311 -5.021 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.657 -1.724 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.290 -1.869 -4.446 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.167 -0.197 -3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.749 -1.766 -2.499 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.008 -1.503 -2.761 1.00 0.00 H new ATOM 797 N ALA A 51 0.712 -4.157 -6.294 1.00 0.00 N ATOM 798 CA ALA A 51 2.010 -4.028 -7.006 1.00 0.00 C ATOM 799 C ALA A 51 2.093 -4.722 -8.407 1.00 0.00 C ATOM 800 O ALA A 51 2.522 -4.081 -9.368 1.00 0.00 O ATOM 801 CB ALA A 51 3.087 -4.541 -6.041 1.00 0.00 C ATOM 0 H ALA A 51 0.769 -4.702 -5.434 1.00 0.00 H new ATOM 0 HA ALA A 51 2.154 -2.979 -7.265 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.065 -4.468 -6.516 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.079 -3.938 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 51 2.883 -5.581 -5.788 1.00 0.00 H new ATOM 807 N ARG A 52 1.642 -5.982 -8.524 1.00 0.00 N ATOM 808 CA ARG A 52 1.489 -6.692 -9.827 1.00 0.00 C ATOM 809 C ARG A 52 0.589 -5.982 -10.912 1.00 0.00 C ATOM 810 O ARG A 52 0.971 -5.955 -12.083 1.00 0.00 O ATOM 811 CB ARG A 52 0.923 -8.115 -9.546 1.00 0.00 C ATOM 812 CG ARG A 52 1.885 -9.077 -8.821 1.00 0.00 C ATOM 813 CD ARG A 52 1.159 -10.358 -8.378 1.00 0.00 C ATOM 814 NE ARG A 52 2.087 -11.249 -7.642 1.00 0.00 N ATOM 815 CZ ARG A 52 2.812 -12.223 -8.165 1.00 0.00 C ATOM 816 NH1 ARG A 52 2.828 -12.536 -9.428 1.00 0.00 N ATOM 817 NH2 ARG A 52 3.557 -12.901 -7.362 1.00 0.00 N ATOM 0 H ARG A 52 1.369 -6.548 -7.721 1.00 0.00 H new ATOM 0 HA ARG A 52 2.486 -6.706 -10.267 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.017 -8.016 -8.949 1.00 0.00 H new ATOM 0 HB3 ARG A 52 0.632 -8.566 -10.495 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.713 -9.335 -9.482 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.314 -8.580 -7.951 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.311 -10.102 -7.743 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.760 -10.877 -9.249 1.00 0.00 H new ATOM 0 HE ARG A 52 2.175 -11.096 -6.637 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.253 -12.015 -10.090 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.415 -13.303 -9.756 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.570 -12.677 -6.367 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.134 -13.662 -7.721 1.00 0.00 H new ATOM 830 N LYS A 53 -0.556 -5.409 -10.522 1.00 0.00 N ATOM 831 CA LYS A 53 -1.399 -4.569 -11.421 1.00 0.00 C ATOM 832 C LYS A 53 -0.843 -3.136 -11.798 1.00 0.00 C ATOM 833 O LYS A 53 -1.340 -2.542 -12.757 1.00 0.00 O ATOM 834 CB LYS A 53 -2.809 -4.474 -10.768 1.00 0.00 C ATOM 835 CG LYS A 53 -3.612 -5.791 -10.846 1.00 0.00 C ATOM 836 CD LYS A 53 -4.827 -5.865 -9.909 1.00 0.00 C ATOM 837 CE LYS A 53 -5.995 -4.969 -10.309 1.00 0.00 C ATOM 838 NZ LYS A 53 -7.173 -5.294 -9.478 1.00 0.00 N ATOM 0 H LYS A 53 -0.935 -5.506 -9.580 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.412 -5.068 -12.390 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.698 -4.186 -9.723 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -3.376 -3.682 -11.258 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.954 -5.931 -11.872 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.944 -6.621 -10.617 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -5.175 -6.897 -9.869 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.509 -5.596 -8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.724 -3.921 -10.180 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -6.231 -5.110 -11.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.988 -4.731 -9.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.394 -6.306 -9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.967 -5.074 -8.483 1.00 0.00 H new ATOM 851 N GLY A 54 0.181 -2.614 -11.102 1.00 0.00 N ATOM 852 CA GLY A 54 1.021 -1.507 -11.626 1.00 0.00 C ATOM 853 C GLY A 54 0.923 -0.150 -10.917 1.00 0.00 C ATOM 854 O GLY A 54 0.578 0.844 -11.559 1.00 0.00 O ATOM 0 H GLY A 54 0.453 -2.937 -10.173 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.062 -1.830 -11.594 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.766 -1.358 -12.675 1.00 0.00 H new ATOM 858 N VAL A 55 1.295 -0.098 -9.631 1.00 0.00 N ATOM 859 CA VAL A 55 1.291 1.168 -8.841 1.00 0.00 C ATOM 860 C VAL A 55 2.495 1.343 -7.831 1.00 0.00 C ATOM 861 O VAL A 55 3.018 2.458 -7.751 1.00 0.00 O ATOM 862 CB VAL A 55 -0.060 1.505 -8.119 1.00 0.00 C ATOM 863 CG1 VAL A 55 -1.165 1.977 -9.080 1.00 0.00 C ATOM 864 CG2 VAL A 55 -0.654 0.400 -7.244 1.00 0.00 C ATOM 0 H VAL A 55 1.605 -0.914 -9.103 1.00 0.00 H new ATOM 0 HA VAL A 55 1.427 1.899 -9.638 1.00 0.00 H new ATOM 0 HB VAL A 55 0.255 2.315 -7.461 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.071 2.193 -8.514 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.837 2.879 -9.597 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.371 1.194 -9.810 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.585 0.750 -6.799 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.852 -0.481 -7.855 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.052 0.142 -6.454 1.00 0.00 H new ATOM 874 N ILE A 56 2.882 0.327 -7.034 1.00 0.00 N ATOM 875 CA ILE A 56 3.836 0.518 -5.894 1.00 0.00 C ATOM 876 C ILE A 56 5.021 -0.520 -5.851 1.00 0.00 C ATOM 877 O ILE A 56 4.900 -1.665 -6.294 1.00 0.00 O ATOM 878 CB ILE A 56 3.142 0.615 -4.478 1.00 0.00 C ATOM 879 CG1 ILE A 56 2.663 -0.698 -3.829 1.00 0.00 C ATOM 880 CG2 ILE A 56 2.080 1.727 -4.396 1.00 0.00 C ATOM 881 CD1 ILE A 56 1.425 -1.349 -4.407 1.00 0.00 C ATOM 0 H ILE A 56 2.558 -0.633 -7.148 1.00 0.00 H new ATOM 0 HA ILE A 56 4.272 1.493 -6.113 1.00 0.00 H new ATOM 0 HB ILE A 56 3.983 0.902 -3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.479 -1.418 -3.884 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.480 -0.504 -2.772 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.642 1.739 -3.398 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.546 2.691 -4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.299 1.539 -5.132 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.203 -2.263 -3.855 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.582 -0.663 -4.327 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.597 -1.591 -5.456 1.00 0.00 H new ATOM 893 N GLU A 57 6.129 -0.122 -5.203 1.00 0.00 N ATOM 894 CA GLU A 57 7.181 -1.068 -4.741 1.00 0.00 C ATOM 895 C GLU A 57 6.749 -1.894 -3.473 1.00 0.00 C ATOM 896 O GLU A 57 6.125 -1.357 -2.557 1.00 0.00 O ATOM 897 CB GLU A 57 8.436 -0.195 -4.422 1.00 0.00 C ATOM 898 CG GLU A 57 9.706 -0.997 -4.062 1.00 0.00 C ATOM 899 CD GLU A 57 10.891 -0.131 -3.674 1.00 0.00 C ATOM 900 OE1 GLU A 57 11.794 0.165 -4.452 1.00 0.00 O ATOM 901 OE2 GLU A 57 10.841 0.269 -2.369 1.00 0.00 O ATOM 0 H GLU A 57 6.328 0.854 -4.982 1.00 0.00 H new ATOM 0 HA GLU A 57 7.378 -1.809 -5.515 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.653 0.434 -5.285 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.197 0.472 -3.593 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.476 -1.672 -3.237 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.985 -1.618 -4.913 1.00 0.00 H new ATOM 909 N ILE A 58 7.168 -3.162 -3.397 1.00 0.00 N ATOM 910 CA ILE A 58 7.163 -3.940 -2.117 1.00 0.00 C ATOM 911 C ILE A 58 8.662 -4.229 -1.749 1.00 0.00 C ATOM 912 O ILE A 58 9.370 -4.903 -2.504 1.00 0.00 O ATOM 913 CB ILE A 58 6.355 -5.295 -2.210 1.00 0.00 C ATOM 914 CG1 ILE A 58 4.907 -5.085 -2.715 1.00 0.00 C ATOM 915 CG2 ILE A 58 6.311 -5.993 -0.819 1.00 0.00 C ATOM 916 CD1 ILE A 58 4.135 -6.369 -3.018 1.00 0.00 C ATOM 0 H ILE A 58 7.518 -3.687 -4.198 1.00 0.00 H new ATOM 0 HA ILE A 58 6.659 -3.351 -1.351 1.00 0.00 H new ATOM 0 HB ILE A 58 6.877 -5.923 -2.932 1.00 0.00 H new ATOM 0 HG12 ILE A 58 4.356 -4.516 -1.966 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.938 -4.476 -3.619 1.00 0.00 H new ATOM 0 HG21 ILE A 58 5.751 -6.925 -0.897 1.00 0.00 H new ATOM 0 HG22 ILE A 58 7.327 -6.206 -0.487 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.824 -5.337 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.133 -6.118 -3.365 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.656 -6.933 -3.792 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.065 -6.973 -2.114 1.00 0.00 H new ATOM 928 N VAL A 59 9.129 -3.761 -0.583 1.00 0.00 N ATOM 929 CA VAL A 59 10.461 -4.177 -0.045 1.00 0.00 C ATOM 930 C VAL A 59 10.357 -5.536 0.724 1.00 0.00 C ATOM 931 O VAL A 59 9.815 -5.615 1.831 1.00 0.00 O ATOM 932 CB VAL A 59 11.124 -2.997 0.729 1.00 0.00 C ATOM 933 CG1 VAL A 59 10.479 -2.607 2.063 1.00 0.00 C ATOM 934 CG2 VAL A 59 12.627 -3.257 0.978 1.00 0.00 C ATOM 0 H VAL A 59 8.623 -3.103 0.009 1.00 0.00 H new ATOM 0 HA VAL A 59 11.151 -4.393 -0.860 1.00 0.00 H new ATOM 0 HB VAL A 59 10.965 -2.154 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 59 11.029 -1.776 2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.445 -2.308 1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.503 -3.459 2.742 1.00 0.00 H new ATOM 0 HG21 VAL A 59 13.057 -2.415 1.520 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.746 -4.166 1.567 1.00 0.00 H new ATOM 0 HG23 VAL A 59 13.139 -3.374 0.023 1.00 0.00 H new ATOM 944 N SER A 60 10.865 -6.618 0.121 1.00 0.00 N ATOM 945 CA SER A 60 10.814 -7.975 0.729 1.00 0.00 C ATOM 946 C SER A 60 12.021 -8.257 1.678 1.00 0.00 C ATOM 947 O SER A 60 13.060 -8.774 1.253 1.00 0.00 O ATOM 948 CB SER A 60 10.711 -9.004 -0.429 1.00 0.00 C ATOM 949 OG SER A 60 11.897 -9.056 -1.228 1.00 0.00 O ATOM 0 H SER A 60 11.320 -6.591 -0.791 1.00 0.00 H new ATOM 0 HA SER A 60 9.939 -8.056 1.374 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.513 -9.993 -0.015 1.00 0.00 H new ATOM 0 HB3 SER A 60 9.862 -8.748 -1.063 1.00 0.00 H new ATOM 0 HG SER A 60 12.685 -9.008 -0.647 1.00 0.00 H new ATOM 955 N GLY A 61 11.876 -7.888 2.956 1.00 0.00 N ATOM 956 CA GLY A 61 12.985 -7.976 3.943 1.00 0.00 C ATOM 957 C GLY A 61 12.968 -6.864 5.004 1.00 0.00 C ATOM 958 O GLY A 61 12.775 -7.139 6.188 1.00 0.00 O ATOM 0 H GLY A 61 11.005 -7.524 3.342 1.00 0.00 H new ATOM 0 HA2 GLY A 61 12.936 -8.943 4.444 1.00 0.00 H new ATOM 0 HA3 GLY A 61 13.935 -7.941 3.410 1.00 0.00 H new ATOM 962 N ALA A 62 13.182 -5.616 4.571 1.00 0.00 N ATOM 963 CA ALA A 62 12.990 -4.428 5.440 1.00 0.00 C ATOM 964 C ALA A 62 11.491 -4.003 5.628 1.00 0.00 C ATOM 965 O ALA A 62 10.587 -4.495 4.948 1.00 0.00 O ATOM 966 CB ALA A 62 13.830 -3.313 4.791 1.00 0.00 C ATOM 0 H ALA A 62 13.489 -5.393 3.624 1.00 0.00 H new ATOM 0 HA ALA A 62 13.311 -4.651 6.457 1.00 0.00 H new ATOM 0 HB1 ALA A 62 13.738 -2.400 5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 62 14.876 -3.619 4.756 1.00 0.00 H new ATOM 0 HB3 ALA A 62 13.471 -3.130 3.778 1.00 0.00 H new ATOM 972 N SER A 63 11.242 -3.082 6.564 1.00 0.00 N ATOM 973 CA SER A 63 9.882 -2.529 6.812 1.00 0.00 C ATOM 974 C SER A 63 9.530 -1.233 6.011 1.00 0.00 C ATOM 975 O SER A 63 8.510 -1.208 5.321 1.00 0.00 O ATOM 976 CB SER A 63 9.703 -2.379 8.348 1.00 0.00 C ATOM 977 OG SER A 63 10.577 -1.409 8.928 1.00 0.00 O ATOM 0 H SER A 63 11.962 -2.693 7.173 1.00 0.00 H new ATOM 0 HA SER A 63 9.152 -3.235 6.417 1.00 0.00 H new ATOM 0 HB2 SER A 63 8.671 -2.101 8.561 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.877 -3.345 8.823 1.00 0.00 H new ATOM 0 HG SER A 63 10.416 -1.359 9.893 1.00 0.00 H new ATOM 983 N ARG A 64 10.335 -0.164 6.120 1.00 0.00 N ATOM 984 CA ARG A 64 10.069 1.138 5.454 1.00 0.00 C ATOM 985 C ARG A 64 10.587 1.164 3.974 1.00 0.00 C ATOM 986 O ARG A 64 11.720 1.551 3.674 1.00 0.00 O ATOM 987 CB ARG A 64 10.724 2.267 6.294 1.00 0.00 C ATOM 988 CG ARG A 64 9.892 2.816 7.471 1.00 0.00 C ATOM 989 CD ARG A 64 8.713 3.679 7.003 1.00 0.00 C ATOM 990 NE ARG A 64 8.168 4.487 8.119 1.00 0.00 N ATOM 991 CZ ARG A 64 7.387 5.546 7.971 1.00 0.00 C ATOM 992 NH1 ARG A 64 6.946 5.987 6.829 1.00 0.00 N ATOM 993 NH2 ARG A 64 7.053 6.193 9.037 1.00 0.00 N ATOM 0 H ARG A 64 11.193 -0.170 6.672 1.00 0.00 H new ATOM 0 HA ARG A 64 8.991 1.291 5.401 1.00 0.00 H new ATOM 0 HB2 ARG A 64 11.670 1.895 6.688 1.00 0.00 H new ATOM 0 HB3 ARG A 64 10.961 3.096 5.627 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.516 1.984 8.066 1.00 0.00 H new ATOM 0 HG3 ARG A 64 10.535 3.408 8.122 1.00 0.00 H new ATOM 0 HD2 ARG A 64 9.038 4.338 6.198 1.00 0.00 H new ATOM 0 HD3 ARG A 64 7.929 3.040 6.596 1.00 0.00 H new ATOM 0 HE ARG A 64 8.412 4.208 9.069 1.00 0.00 H new ATOM 0 HH11 ARG A 64 7.200 5.508 5.965 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.347 6.812 6.798 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.389 5.883 9.948 1.00 0.00 H new ATOM 0 HH22 ARG A 64 6.453 7.015 8.968 1.00 0.00 H new ATOM 1006 N GLY A 65 9.704 0.762 3.063 1.00 0.00 N ATOM 1007 CA GLY A 65 9.969 0.844 1.605 1.00 0.00 C ATOM 1008 C GLY A 65 8.815 0.497 0.646 1.00 0.00 C ATOM 1009 O GLY A 65 9.042 -0.164 -0.372 1.00 0.00 O ATOM 0 H GLY A 65 8.791 0.373 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.298 1.859 1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.804 0.181 1.378 1.00 0.00 H new ATOM 1013 N ILE A 66 7.614 1.008 0.925 1.00 0.00 N ATOM 1014 CA ILE A 66 6.438 0.888 0.018 1.00 0.00 C ATOM 1015 C ILE A 66 6.205 2.300 -0.635 1.00 0.00 C ATOM 1016 O ILE A 66 5.656 3.210 -0.011 1.00 0.00 O ATOM 1017 CB ILE A 66 5.168 0.360 0.774 1.00 0.00 C ATOM 1018 CG1 ILE A 66 5.405 -1.000 1.495 1.00 0.00 C ATOM 1019 CG2 ILE A 66 3.995 0.177 -0.221 1.00 0.00 C ATOM 1020 CD1 ILE A 66 4.293 -1.387 2.471 1.00 0.00 C ATOM 0 H ILE A 66 7.415 1.520 1.784 1.00 0.00 H new ATOM 0 HA ILE A 66 6.631 0.149 -0.760 1.00 0.00 H new ATOM 0 HB ILE A 66 4.934 1.109 1.530 1.00 0.00 H new ATOM 0 HG12 ILE A 66 5.506 -1.785 0.745 1.00 0.00 H new ATOM 0 HG13 ILE A 66 6.350 -0.953 2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.119 -0.190 0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 66 3.761 1.134 -0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.279 -0.542 -0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.531 -2.345 2.932 1.00 0.00 H new ATOM 0 HD12 ILE A 66 4.206 -0.624 3.244 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.349 -1.468 1.933 1.00 0.00 H new ATOM 1032 N ARG A 67 6.668 2.477 -1.872 1.00 0.00 N ATOM 1033 CA ARG A 67 6.685 3.804 -2.558 1.00 0.00 C ATOM 1034 C ARG A 67 5.752 3.828 -3.807 1.00 0.00 C ATOM 1035 O ARG A 67 5.671 2.844 -4.546 1.00 0.00 O ATOM 1036 CB ARG A 67 8.173 4.045 -2.925 1.00 0.00 C ATOM 1037 CG ARG A 67 8.494 5.419 -3.546 1.00 0.00 C ATOM 1038 CD ARG A 67 9.989 5.628 -3.848 1.00 0.00 C ATOM 1039 NE ARG A 67 10.441 4.764 -4.967 1.00 0.00 N ATOM 1040 CZ ARG A 67 11.183 3.673 -4.859 1.00 0.00 C ATOM 1041 NH1 ARG A 67 11.662 3.213 -3.742 1.00 0.00 N ATOM 1042 NH2 ARG A 67 11.432 3.015 -5.937 1.00 0.00 N ATOM 0 H ARG A 67 7.045 1.718 -2.440 1.00 0.00 H new ATOM 0 HA ARG A 67 6.299 4.598 -1.918 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.774 3.925 -2.024 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.486 3.269 -3.623 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.927 5.532 -4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.157 6.202 -2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.169 6.674 -4.098 1.00 0.00 H new ATOM 0 HD3 ARG A 67 10.576 5.408 -2.956 1.00 0.00 H new ATOM 0 HE ARG A 67 10.153 5.036 -5.907 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.473 3.701 -2.867 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.227 2.364 -3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.061 3.340 -6.830 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.000 2.169 -5.898 1.00 0.00 H new ATOM 1055 N LEU A 68 5.114 4.980 -4.080 1.00 0.00 N ATOM 1056 CA LEU A 68 4.432 5.226 -5.382 1.00 0.00 C ATOM 1057 C LEU A 68 5.459 5.294 -6.580 1.00 0.00 C ATOM 1058 O LEU A 68 6.375 6.124 -6.564 1.00 0.00 O ATOM 1059 CB LEU A 68 3.661 6.579 -5.366 1.00 0.00 C ATOM 1060 CG LEU A 68 2.547 6.808 -4.326 1.00 0.00 C ATOM 1061 CD1 LEU A 68 1.961 8.218 -4.558 1.00 0.00 C ATOM 1062 CD2 LEU A 68 1.410 5.795 -4.415 1.00 0.00 C ATOM 0 H LEU A 68 5.051 5.759 -3.424 1.00 0.00 H new ATOM 0 HA LEU A 68 3.746 4.390 -5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.397 7.372 -5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.219 6.714 -6.353 1.00 0.00 H new ATOM 0 HG LEU A 68 2.996 6.696 -3.339 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.169 8.406 -3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.747 8.963 -4.438 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.553 8.281 -5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 68 0.663 6.018 -3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.950 5.850 -5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.803 4.791 -4.254 1.00 0.00 H new ATOM 1074 N LEU A 69 5.293 4.452 -7.605 1.00 0.00 N ATOM 1075 CA LEU A 69 6.240 4.407 -8.762 1.00 0.00 C ATOM 1076 C LEU A 69 5.891 5.472 -9.865 1.00 0.00 C ATOM 1077 O LEU A 69 5.455 5.160 -10.976 1.00 0.00 O ATOM 1078 CB LEU A 69 6.262 2.961 -9.320 1.00 0.00 C ATOM 1079 CG LEU A 69 6.861 1.878 -8.392 1.00 0.00 C ATOM 1080 CD1 LEU A 69 6.580 0.495 -8.996 1.00 0.00 C ATOM 1081 CD2 LEU A 69 8.370 2.040 -8.188 1.00 0.00 C ATOM 0 H LEU A 69 4.521 3.789 -7.672 1.00 0.00 H new ATOM 0 HA LEU A 69 7.240 4.675 -8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.240 2.674 -9.566 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.826 2.963 -10.253 1.00 0.00 H new ATOM 0 HG LEU A 69 6.390 1.986 -7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.998 -0.276 -8.349 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.504 0.349 -9.085 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.038 0.429 -9.983 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.735 1.253 -7.528 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.877 1.971 -9.151 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.574 3.012 -7.740 1.00 0.00 H new