USER MOD reduce.3.24.130724 H: found=0, std=0, add=548, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 554 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 Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 150:sc= 0.0392 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -3.46 X(o=-3.5,f=-3.1) USER MOD Single : A 52 SER OG : rot 57:sc= 0.0824 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 HIS : no HD1:sc= -0.167 X(o=-0.17,f=0) USER MOD Single : A 60 ASN : amide:sc= -0.138 K(o=-0.14,f=-0.74) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -6.87! C(o=-6.9!,f=-7.7!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 MET CE :methyl -148:sc= -0.335 (180deg=-1.2!) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 78 SER OG : rot 180:sc= 0 USER MOD Single : B 82 SER OG : rot 180:sc= 0.103 USER MOD Single : B 83 THR OG1 : rot -110:sc= -0.655 USER MOD Single : B 84 LYS NZ :NH3+ 152:sc= -2.17! (180deg=-3.39!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 16 -12.800 -10.313 9.172 1.00 0.00 N ATOM 2 CA GLY A 16 -12.901 -9.051 8.389 1.00 0.00 C ATOM 3 C GLY A 16 -12.489 -9.230 6.941 1.00 0.00 C ATOM 4 O GLY A 16 -12.241 -10.350 6.493 1.00 0.00 O ATOM 0 HA2 GLY A 16 -13.927 -8.684 8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.272 -8.290 8.851 1.00 0.00 H new ATOM 10 N ARG A 17 -12.418 -8.124 6.206 1.00 0.00 N ATOM 11 CA ARG A 17 -12.034 -8.161 4.799 1.00 0.00 C ATOM 12 C ARG A 17 -11.145 -6.973 4.446 1.00 0.00 C ATOM 13 O ARG A 17 -11.356 -6.303 3.434 1.00 0.00 O ATOM 14 CB ARG A 17 -13.275 -8.168 3.905 1.00 0.00 C ATOM 15 CG ARG A 17 -14.517 -7.642 4.599 1.00 0.00 C ATOM 16 CD ARG A 17 -15.248 -6.623 3.740 1.00 0.00 C ATOM 17 NE ARG A 17 -16.694 -6.824 3.762 1.00 0.00 N ATOM 18 CZ ARG A 17 -17.577 -5.848 3.565 1.00 0.00 C ATOM 19 NH1 ARG A 17 -17.162 -4.610 3.330 1.00 0.00 N ATOM 20 NH2 ARG A 17 -18.876 -6.111 3.601 1.00 0.00 N ATOM 0 H ARG A 17 -12.622 -7.190 6.562 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.470 -9.078 4.629 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.079 -7.564 3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.462 -9.186 3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.185 -8.472 4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.238 -7.185 5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.016 -5.618 4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.888 -6.690 2.713 1.00 0.00 H new ATOM 0 HE ARG A 17 -17.047 -7.765 3.938 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.163 -4.404 3.300 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.841 -3.864 3.179 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.199 -7.062 3.780 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -19.552 -5.362 3.450 1.00 0.00 H new ATOM 34 N VAL A 18 -10.152 -6.717 5.290 1.00 0.00 N ATOM 35 CA VAL A 18 -9.228 -5.609 5.072 1.00 0.00 C ATOM 36 C VAL A 18 -8.316 -5.875 3.878 1.00 0.00 C ATOM 37 O VAL A 18 -7.371 -6.659 3.968 1.00 0.00 O ATOM 38 CB VAL A 18 -8.360 -5.339 6.317 1.00 0.00 C ATOM 39 CG1 VAL A 18 -9.105 -4.454 7.304 1.00 0.00 C ATOM 40 CG2 VAL A 18 -7.936 -6.645 6.974 1.00 0.00 C ATOM 0 H VAL A 18 -9.966 -7.262 6.132 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.840 -4.730 4.870 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.459 -4.814 5.999 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.477 -4.274 8.177 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.348 -3.503 6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.025 -4.950 7.615 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.324 -6.430 7.850 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -8.821 -7.204 7.278 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.358 -7.238 6.265 1.00 0.00 H new ATOM 50 N ARG A 19 -8.606 -5.213 2.763 1.00 0.00 N ATOM 51 CA ARG A 19 -7.814 -5.372 1.550 1.00 0.00 C ATOM 52 C ARG A 19 -7.752 -4.061 0.771 1.00 0.00 C ATOM 53 O ARG A 19 -7.894 -4.043 -0.451 1.00 0.00 O ATOM 54 CB ARG A 19 -8.400 -6.479 0.672 1.00 0.00 C ATOM 55 CG ARG A 19 -9.864 -6.268 0.322 1.00 0.00 C ATOM 56 CD ARG A 19 -10.216 -6.904 -1.013 1.00 0.00 C ATOM 57 NE ARG A 19 -11.648 -6.831 -1.291 1.00 0.00 N ATOM 58 CZ ARG A 19 -12.387 -7.879 -1.643 1.00 0.00 C ATOM 59 NH1 ARG A 19 -11.830 -9.077 -1.766 1.00 0.00 N ATOM 60 NH2 ARG A 19 -13.683 -7.729 -1.872 1.00 0.00 N ATOM 0 H ARG A 19 -9.385 -4.560 2.675 1.00 0.00 H new ATOM 0 HA ARG A 19 -6.801 -5.652 1.838 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.821 -6.545 -0.249 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.292 -7.434 1.186 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.491 -6.694 1.105 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.080 -5.200 0.286 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -9.666 -6.404 -1.810 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -9.899 -7.947 -1.013 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.108 -5.924 -1.211 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.832 -9.196 -1.590 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.400 -9.879 -2.036 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.114 -6.809 -1.778 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.250 -8.533 -2.142 1.00 0.00 H new ATOM 74 N TRP A 20 -7.550 -2.963 1.495 1.00 0.00 N ATOM 75 CA TRP A 20 -7.472 -1.637 0.897 1.00 0.00 C ATOM 76 C TRP A 20 -6.372 -0.831 1.565 1.00 0.00 C ATOM 77 O TRP A 20 -5.978 -1.128 2.688 1.00 0.00 O ATOM 78 CB TRP A 20 -8.814 -0.916 1.021 1.00 0.00 C ATOM 79 CG TRP A 20 -9.905 -1.623 0.292 1.00 0.00 C ATOM 80 CD1 TRP A 20 -10.567 -2.742 0.703 1.00 0.00 C ATOM 81 CD2 TRP A 20 -10.449 -1.272 -0.982 1.00 0.00 C ATOM 82 NE1 TRP A 20 -11.483 -3.120 -0.251 1.00 0.00 N ATOM 83 CE2 TRP A 20 -11.430 -2.228 -1.293 1.00 0.00 C ATOM 84 CE3 TRP A 20 -10.199 -0.241 -1.892 1.00 0.00 C ATOM 85 CZ2 TRP A 20 -12.157 -2.184 -2.479 1.00 0.00 C ATOM 86 CZ3 TRP A 20 -10.925 -0.197 -3.066 1.00 0.00 C ATOM 87 CH2 TRP A 20 -11.892 -1.165 -3.351 1.00 0.00 C ATOM 0 H TRP A 20 -7.436 -2.969 2.509 1.00 0.00 H new ATOM 0 HA TRP A 20 -7.236 -1.742 -0.162 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -9.081 -0.828 2.074 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -8.717 0.097 0.631 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -10.397 -3.255 1.638 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -12.100 -3.930 -0.194 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -9.451 0.509 -1.681 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -12.905 -2.930 -2.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -10.743 0.597 -3.775 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -12.441 -1.107 -4.279 1.00 0.00 H new ATOM 98 N ALA A 21 -5.863 0.177 0.875 1.00 0.00 N ATOM 99 CA ALA A 21 -4.811 0.998 1.433 1.00 0.00 C ATOM 100 C ALA A 21 -5.174 2.470 1.344 1.00 0.00 C ATOM 101 O ALA A 21 -5.075 3.078 0.280 1.00 0.00 O ATOM 102 CB ALA A 21 -3.501 0.731 0.709 1.00 0.00 C ATOM 0 H ALA A 21 -6.161 0.442 -0.064 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.691 0.740 2.485 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.715 1.354 1.137 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.232 -0.319 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.615 0.967 -0.349 1.00 0.00 H new ATOM 108 N ARG A 22 -5.563 3.053 2.470 1.00 0.00 N ATOM 109 CA ARG A 22 -5.897 4.465 2.497 1.00 0.00 C ATOM 110 C ARG A 22 -4.747 5.225 3.124 1.00 0.00 C ATOM 111 O ARG A 22 -4.484 5.109 4.323 1.00 0.00 O ATOM 112 CB ARG A 22 -7.206 4.715 3.258 1.00 0.00 C ATOM 113 CG ARG A 22 -7.347 6.133 3.796 1.00 0.00 C ATOM 114 CD ARG A 22 -8.386 6.210 4.902 1.00 0.00 C ATOM 115 NE ARG A 22 -8.093 5.287 5.997 1.00 0.00 N ATOM 116 CZ ARG A 22 -9.020 4.783 6.805 1.00 0.00 C ATOM 117 NH1 ARG A 22 -10.295 5.108 6.642 1.00 0.00 N ATOM 118 NH2 ARG A 22 -8.673 3.952 7.778 1.00 0.00 N ATOM 0 H ARG A 22 -5.654 2.574 3.366 1.00 0.00 H new ATOM 0 HA ARG A 22 -6.053 4.818 1.477 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.046 4.503 2.596 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.271 4.013 4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.385 6.476 4.175 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.628 6.805 2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.429 7.228 5.288 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.370 5.984 4.491 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.122 5.014 6.150 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.567 5.747 5.895 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.004 4.719 7.264 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.693 3.699 7.907 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -9.386 3.566 8.397 1.00 0.00 H new ATOM 132 N ALA A 23 -4.050 5.978 2.292 1.00 0.00 N ATOM 133 CA ALA A 23 -2.897 6.741 2.735 1.00 0.00 C ATOM 134 C ALA A 23 -3.296 8.010 3.470 1.00 0.00 C ATOM 135 O ALA A 23 -3.921 8.900 2.898 1.00 0.00 O ATOM 136 CB ALA A 23 -2.005 7.081 1.551 1.00 0.00 C ATOM 0 H ALA A 23 -4.264 6.078 1.300 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.346 6.116 3.438 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.144 7.653 1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.663 6.161 1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.568 7.673 0.829 1.00 0.00 H new ATOM 142 N LEU A 24 -2.893 8.093 4.733 1.00 0.00 N ATOM 143 CA LEU A 24 -3.164 9.266 5.550 1.00 0.00 C ATOM 144 C LEU A 24 -2.029 10.261 5.353 1.00 0.00 C ATOM 145 O LEU A 24 -2.166 11.458 5.606 1.00 0.00 O ATOM 146 CB LEU A 24 -3.288 8.878 7.026 1.00 0.00 C ATOM 147 CG LEU A 24 -3.876 7.489 7.284 1.00 0.00 C ATOM 148 CD1 LEU A 24 -3.351 6.923 8.595 1.00 0.00 C ATOM 149 CD2 LEU A 24 -5.396 7.549 7.297 1.00 0.00 C ATOM 0 H LEU A 24 -2.375 7.357 5.213 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.109 9.717 5.247 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.300 8.928 7.483 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.910 9.618 7.529 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.565 6.827 6.476 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.780 5.935 8.762 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.265 6.844 8.548 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.632 7.584 9.415 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.798 6.553 7.482 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.727 8.226 8.085 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.754 7.912 6.334 1.00 0.00 H new ATOM 161 N TYR A 25 -0.909 9.727 4.872 1.00 0.00 N ATOM 162 CA TYR A 25 0.288 10.508 4.590 1.00 0.00 C ATOM 163 C TYR A 25 0.809 10.141 3.203 1.00 0.00 C ATOM 164 O TYR A 25 0.234 9.286 2.530 1.00 0.00 O ATOM 165 CB TYR A 25 1.377 10.252 5.637 1.00 0.00 C ATOM 166 CG TYR A 25 0.855 9.838 6.996 1.00 0.00 C ATOM 167 CD1 TYR A 25 0.119 10.719 7.779 1.00 0.00 C ATOM 168 CD2 TYR A 25 1.107 8.567 7.498 1.00 0.00 C ATOM 169 CE1 TYR A 25 -0.353 10.343 9.024 1.00 0.00 C ATOM 170 CE2 TYR A 25 0.639 8.185 8.740 1.00 0.00 C ATOM 171 CZ TYR A 25 -0.090 9.075 9.499 1.00 0.00 C ATOM 172 OH TYR A 25 -0.556 8.697 10.737 1.00 0.00 O ATOM 0 H TYR A 25 -0.808 8.733 4.666 1.00 0.00 H new ATOM 0 HA TYR A 25 0.030 11.566 4.626 1.00 0.00 H new ATOM 0 HB2 TYR A 25 2.045 9.475 5.266 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.974 11.157 5.751 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -0.088 11.713 7.410 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.678 7.866 6.907 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.924 11.039 9.621 1.00 0.00 H new ATOM 0 HE2 TYR A 25 0.843 7.193 9.115 1.00 0.00 H new ATOM 0 HH TYR A 25 -0.285 7.773 10.920 1.00 0.00 H new ATOM 182 N ASP A 26 1.885 10.794 2.776 1.00 0.00 N ATOM 183 CA ASP A 26 2.475 10.533 1.462 1.00 0.00 C ATOM 184 C ASP A 26 2.755 9.040 1.249 1.00 0.00 C ATOM 185 O ASP A 26 2.408 8.199 2.079 1.00 0.00 O ATOM 186 CB ASP A 26 3.769 11.331 1.298 1.00 0.00 C ATOM 187 CG ASP A 26 3.803 12.115 0.000 1.00 0.00 C ATOM 188 OD1 ASP A 26 4.106 11.513 -1.050 1.00 0.00 O ATOM 189 OD2 ASP A 26 3.527 13.334 0.036 1.00 0.00 O ATOM 0 H ASP A 26 2.369 11.509 3.319 1.00 0.00 H new ATOM 0 HA ASP A 26 1.752 10.848 0.710 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.878 12.018 2.137 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.619 10.650 1.331 1.00 0.00 H new ATOM 194 N PHE A 27 3.370 8.722 0.113 1.00 0.00 N ATOM 195 CA PHE A 27 3.680 7.337 -0.242 1.00 0.00 C ATOM 196 C PHE A 27 5.147 6.987 0.020 1.00 0.00 C ATOM 197 O PHE A 27 6.035 7.830 -0.109 1.00 0.00 O ATOM 198 CB PHE A 27 3.356 7.107 -1.715 1.00 0.00 C ATOM 199 CG PHE A 27 4.344 7.737 -2.655 1.00 0.00 C ATOM 200 CD1 PHE A 27 4.189 9.050 -3.067 1.00 0.00 C ATOM 201 CD2 PHE A 27 5.427 7.014 -3.122 1.00 0.00 C ATOM 202 CE1 PHE A 27 5.096 9.632 -3.931 1.00 0.00 C ATOM 203 CE2 PHE A 27 6.339 7.590 -3.987 1.00 0.00 C ATOM 204 CZ PHE A 27 6.174 8.900 -4.391 1.00 0.00 C ATOM 0 H PHE A 27 3.666 9.408 -0.582 1.00 0.00 H new ATOM 0 HA PHE A 27 3.070 6.689 0.388 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.318 6.035 -1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 27 2.363 7.504 -1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 27 3.349 9.626 -2.708 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.561 5.989 -2.808 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.963 10.656 -4.246 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.180 7.016 -4.346 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.886 9.352 -5.065 1.00 0.00 H new ATOM 214 N GLU A 28 5.385 5.727 0.390 1.00 0.00 N ATOM 215 CA GLU A 28 6.735 5.239 0.676 1.00 0.00 C ATOM 216 C GLU A 28 7.299 4.439 -0.494 1.00 0.00 C ATOM 217 O GLU A 28 8.323 3.770 -0.361 1.00 0.00 O ATOM 218 CB GLU A 28 6.723 4.350 1.918 1.00 0.00 C ATOM 219 CG GLU A 28 6.112 5.011 3.138 1.00 0.00 C ATOM 220 CD GLU A 28 7.122 5.234 4.247 1.00 0.00 C ATOM 221 OE1 GLU A 28 7.825 6.265 4.211 1.00 0.00 O ATOM 222 OE2 GLU A 28 7.210 4.377 5.151 1.00 0.00 O ATOM 0 H GLU A 28 4.655 5.023 0.499 1.00 0.00 H new ATOM 0 HA GLU A 28 7.367 6.111 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.169 3.438 1.695 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.746 4.053 2.151 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.678 5.968 2.849 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.297 4.391 3.513 1.00 0.00 H new ATOM 229 N ALA A 29 6.623 4.497 -1.634 1.00 0.00 N ATOM 230 CA ALA A 29 7.062 3.760 -2.815 1.00 0.00 C ATOM 231 C ALA A 29 8.343 4.346 -3.396 1.00 0.00 C ATOM 232 O ALA A 29 8.324 5.385 -4.053 1.00 0.00 O ATOM 233 CB ALA A 29 5.966 3.748 -3.867 1.00 0.00 C ATOM 0 H ALA A 29 5.772 5.044 -1.767 1.00 0.00 H new ATOM 0 HA ALA A 29 7.273 2.736 -2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.308 3.195 -4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.076 3.269 -3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.727 4.772 -4.155 1.00 0.00 H new ATOM 239 N LEU A 30 9.459 3.666 -3.152 1.00 0.00 N ATOM 240 CA LEU A 30 10.752 4.116 -3.653 1.00 0.00 C ATOM 241 C LEU A 30 11.264 3.195 -4.753 1.00 0.00 C ATOM 242 O LEU A 30 12.317 3.444 -5.340 1.00 0.00 O ATOM 243 CB LEU A 30 11.770 4.180 -2.514 1.00 0.00 C ATOM 244 CG LEU A 30 11.241 4.765 -1.205 1.00 0.00 C ATOM 245 CD1 LEU A 30 12.223 4.511 -0.073 1.00 0.00 C ATOM 246 CD2 LEU A 30 10.972 6.254 -1.357 1.00 0.00 C ATOM 0 H LEU A 30 9.493 2.802 -2.611 1.00 0.00 H new ATOM 0 HA LEU A 30 10.620 5.113 -4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 30 12.140 3.173 -2.321 1.00 0.00 H new ATOM 0 HB3 LEU A 30 12.622 4.775 -2.842 1.00 0.00 H new ATOM 0 HG LEU A 30 10.301 4.270 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 30 11.830 4.934 0.851 1.00 0.00 H new ATOM 0 HD12 LEU A 30 12.365 3.437 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 30 13.179 4.979 -0.309 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.596 6.654 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.897 6.765 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.230 6.412 -2.140 1.00 0.00 H new ATOM 258 N GLU A 31 10.519 2.128 -5.030 1.00 0.00 N ATOM 259 CA GLU A 31 10.918 1.176 -6.064 1.00 0.00 C ATOM 260 C GLU A 31 10.006 1.263 -7.284 1.00 0.00 C ATOM 261 O GLU A 31 8.902 1.803 -7.211 1.00 0.00 O ATOM 262 CB GLU A 31 10.912 -0.249 -5.510 1.00 0.00 C ATOM 263 CG GLU A 31 12.304 -0.821 -5.292 1.00 0.00 C ATOM 264 CD GLU A 31 12.977 -1.231 -6.587 1.00 0.00 C ATOM 265 OE1 GLU A 31 12.258 -1.597 -7.541 1.00 0.00 O ATOM 266 OE2 GLU A 31 14.223 -1.187 -6.647 1.00 0.00 O ATOM 0 H GLU A 31 9.644 1.902 -4.558 1.00 0.00 H new ATOM 0 HA GLU A 31 11.930 1.434 -6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.371 -0.260 -4.564 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.366 -0.895 -6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.922 -0.080 -4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 31 12.238 -1.686 -4.632 1.00 0.00 H new ATOM 273 N GLU A 32 10.482 0.727 -8.406 1.00 0.00 N ATOM 274 CA GLU A 32 9.717 0.739 -9.649 1.00 0.00 C ATOM 275 C GLU A 32 8.515 -0.195 -9.557 1.00 0.00 C ATOM 276 O GLU A 32 7.421 0.138 -10.013 1.00 0.00 O ATOM 277 CB GLU A 32 10.608 0.330 -10.825 1.00 0.00 C ATOM 278 CG GLU A 32 11.245 -1.040 -10.660 1.00 0.00 C ATOM 279 CD GLU A 32 12.701 -1.062 -11.082 1.00 0.00 C ATOM 280 OE1 GLU A 32 12.991 -0.683 -12.237 1.00 0.00 O ATOM 281 OE2 GLU A 32 13.551 -1.458 -10.258 1.00 0.00 O ATOM 0 H GLU A 32 11.395 0.279 -8.479 1.00 0.00 H new ATOM 0 HA GLU A 32 9.354 1.753 -9.813 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.014 0.337 -11.739 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.395 1.074 -10.950 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.168 -1.349 -9.617 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.689 -1.768 -11.250 1.00 0.00 H new ATOM 288 N ASP A 33 8.725 -1.366 -8.961 1.00 0.00 N ATOM 289 CA ASP A 33 7.657 -2.347 -8.805 1.00 0.00 C ATOM 290 C ASP A 33 6.686 -1.917 -7.711 1.00 0.00 C ATOM 291 O ASP A 33 5.741 -2.635 -7.383 1.00 0.00 O ATOM 292 CB ASP A 33 8.236 -3.728 -8.479 1.00 0.00 C ATOM 293 CG ASP A 33 9.637 -3.652 -7.903 1.00 0.00 C ATOM 294 OD1 ASP A 33 9.766 -3.409 -6.685 1.00 0.00 O ATOM 295 OD2 ASP A 33 10.605 -3.839 -8.670 1.00 0.00 O ATOM 0 H ASP A 33 9.625 -1.658 -8.579 1.00 0.00 H new ATOM 0 HA ASP A 33 7.115 -2.408 -9.749 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.582 -4.234 -7.768 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.252 -4.334 -9.385 1.00 0.00 H new ATOM 300 N GLU A 34 6.927 -0.737 -7.149 1.00 0.00 N ATOM 301 CA GLU A 34 6.076 -0.207 -6.094 1.00 0.00 C ATOM 302 C GLU A 34 5.181 0.908 -6.624 1.00 0.00 C ATOM 303 O GLU A 34 5.513 1.571 -7.609 1.00 0.00 O ATOM 304 CB GLU A 34 6.928 0.312 -4.935 1.00 0.00 C ATOM 305 CG GLU A 34 7.610 -0.792 -4.145 1.00 0.00 C ATOM 306 CD GLU A 34 8.616 -0.261 -3.140 1.00 0.00 C ATOM 307 OE1 GLU A 34 8.633 0.966 -2.911 1.00 0.00 O ATOM 308 OE2 GLU A 34 9.384 -1.072 -2.584 1.00 0.00 O ATOM 0 H GLU A 34 7.705 -0.131 -7.408 1.00 0.00 H new ATOM 0 HA GLU A 34 5.441 -1.016 -5.734 1.00 0.00 H new ATOM 0 HB2 GLU A 34 7.686 0.990 -5.327 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.297 0.893 -4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.854 -1.378 -3.621 1.00 0.00 H new ATOM 0 HG3 GLU A 34 8.115 -1.468 -4.835 1.00 0.00 H new ATOM 315 N LEU A 35 4.049 1.109 -5.962 1.00 0.00 N ATOM 316 CA LEU A 35 3.101 2.144 -6.357 1.00 0.00 C ATOM 317 C LEU A 35 3.046 3.243 -5.302 1.00 0.00 C ATOM 318 O LEU A 35 3.097 2.968 -4.103 1.00 0.00 O ATOM 319 CB LEU A 35 1.712 1.535 -6.583 1.00 0.00 C ATOM 320 CG LEU A 35 0.707 1.721 -5.443 1.00 0.00 C ATOM 321 CD1 LEU A 35 -0.640 2.150 -5.994 1.00 0.00 C ATOM 322 CD2 LEU A 35 0.569 0.435 -4.644 1.00 0.00 C ATOM 0 H LEU A 35 3.764 0.567 -5.146 1.00 0.00 H new ATOM 0 HA LEU A 35 3.436 2.588 -7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.289 1.969 -7.489 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.830 0.467 -6.767 1.00 0.00 H new ATOM 0 HG LEU A 35 1.075 2.503 -4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.345 2.279 -5.173 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.531 3.093 -6.529 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.014 1.387 -6.677 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.149 0.583 -3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.220 -0.364 -5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.537 0.163 -4.223 1.00 0.00 H new ATOM 334 N GLY A 36 2.959 4.489 -5.754 1.00 0.00 N ATOM 335 CA GLY A 36 2.921 5.603 -4.830 1.00 0.00 C ATOM 336 C GLY A 36 1.596 6.338 -4.816 1.00 0.00 C ATOM 337 O GLY A 36 1.076 6.726 -5.862 1.00 0.00 O ATOM 0 H GLY A 36 2.914 4.745 -6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.134 5.238 -3.825 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.713 6.305 -5.089 1.00 0.00 H new ATOM 341 N PHE A 37 1.062 6.540 -3.615 1.00 0.00 N ATOM 342 CA PHE A 37 -0.199 7.249 -3.438 1.00 0.00 C ATOM 343 C PHE A 37 0.027 8.565 -2.706 1.00 0.00 C ATOM 344 O PHE A 37 1.162 8.946 -2.426 1.00 0.00 O ATOM 345 CB PHE A 37 -1.196 6.409 -2.641 1.00 0.00 C ATOM 346 CG PHE A 37 -0.565 5.449 -1.675 1.00 0.00 C ATOM 347 CD1 PHE A 37 0.316 5.899 -0.704 1.00 0.00 C ATOM 348 CD2 PHE A 37 -0.864 4.100 -1.730 1.00 0.00 C ATOM 349 CE1 PHE A 37 0.891 5.018 0.191 1.00 0.00 C ATOM 350 CE2 PHE A 37 -0.295 3.215 -0.837 1.00 0.00 C ATOM 351 CZ PHE A 37 0.584 3.674 0.125 1.00 0.00 C ATOM 0 H PHE A 37 1.487 6.220 -2.745 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.606 7.443 -4.430 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.857 7.078 -2.090 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.819 5.848 -3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.556 6.951 -0.647 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.550 3.735 -2.480 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.579 5.380 0.941 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.537 2.164 -0.890 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.030 2.982 0.824 1.00 0.00 H new ATOM 361 N ARG A 38 -1.061 9.253 -2.389 1.00 0.00 N ATOM 362 CA ARG A 38 -0.971 10.519 -1.676 1.00 0.00 C ATOM 363 C ARG A 38 -1.920 10.544 -0.483 1.00 0.00 C ATOM 364 O ARG A 38 -2.743 9.644 -0.314 1.00 0.00 O ATOM 365 CB ARG A 38 -1.260 11.680 -2.624 1.00 0.00 C ATOM 366 CG ARG A 38 -0.329 11.707 -3.823 1.00 0.00 C ATOM 367 CD ARG A 38 -1.022 11.205 -5.079 1.00 0.00 C ATOM 368 NE ARG A 38 -1.484 12.302 -5.925 1.00 0.00 N ATOM 369 CZ ARG A 38 -2.762 12.648 -6.051 1.00 0.00 C ATOM 370 NH1 ARG A 38 -3.703 11.981 -5.395 1.00 0.00 N ATOM 371 NH2 ARG A 38 -3.100 13.663 -6.835 1.00 0.00 N ATOM 0 H ARG A 38 -2.011 8.958 -2.613 1.00 0.00 H new ATOM 0 HA ARG A 38 0.044 10.627 -1.294 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.291 11.611 -2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.170 12.619 -2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.028 12.724 -3.985 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.547 11.091 -3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.335 10.575 -5.645 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.871 10.580 -4.800 1.00 0.00 H new ATOM 0 HE ARG A 38 -0.788 12.833 -6.449 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -3.447 11.200 -4.791 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -4.682 12.250 -5.494 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -2.380 14.178 -7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.080 13.928 -6.932 1.00 0.00 H new ATOM 385 N SER A 39 -1.796 11.577 0.347 1.00 0.00 N ATOM 386 CA SER A 39 -2.638 11.716 1.531 1.00 0.00 C ATOM 387 C SER A 39 -4.120 11.668 1.166 1.00 0.00 C ATOM 388 O SER A 39 -4.522 12.125 0.096 1.00 0.00 O ATOM 389 CB SER A 39 -2.324 13.028 2.254 1.00 0.00 C ATOM 390 OG SER A 39 -2.174 14.096 1.334 1.00 0.00 O ATOM 0 H SER A 39 -1.120 12.330 0.221 1.00 0.00 H new ATOM 0 HA SER A 39 -2.422 10.878 2.194 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.124 13.260 2.957 1.00 0.00 H new ATOM 0 HB3 SER A 39 -1.410 12.915 2.837 1.00 0.00 H new ATOM 0 HG SER A 39 -1.976 14.923 1.822 1.00 0.00 H new ATOM 396 N GLY A 40 -4.922 11.108 2.068 1.00 0.00 N ATOM 397 CA GLY A 40 -6.352 11.002 1.841 1.00 0.00 C ATOM 398 C GLY A 40 -6.695 10.347 0.516 1.00 0.00 C ATOM 399 O GLY A 40 -7.455 10.905 -0.276 1.00 0.00 O ATOM 0 H GLY A 40 -4.603 10.724 2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.801 10.428 2.651 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.794 11.998 1.873 1.00 0.00 H new ATOM 403 N GLU A 41 -6.135 9.165 0.269 1.00 0.00 N ATOM 404 CA GLU A 41 -6.397 8.448 -0.976 1.00 0.00 C ATOM 405 C GLU A 41 -6.812 7.005 -0.711 1.00 0.00 C ATOM 406 O GLU A 41 -6.321 6.365 0.217 1.00 0.00 O ATOM 407 CB GLU A 41 -5.161 8.480 -1.877 1.00 0.00 C ATOM 408 CG GLU A 41 -4.880 9.848 -2.476 1.00 0.00 C ATOM 409 CD GLU A 41 -5.874 10.227 -3.556 1.00 0.00 C ATOM 410 OE1 GLU A 41 -5.661 9.834 -4.723 1.00 0.00 O ATOM 411 OE2 GLU A 41 -6.865 10.917 -3.236 1.00 0.00 O ATOM 0 H GLU A 41 -5.502 8.686 0.909 1.00 0.00 H new ATOM 0 HA GLU A 41 -7.223 8.950 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.293 8.160 -1.301 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.291 7.759 -2.684 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -4.904 10.598 -1.686 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.873 9.858 -2.894 1.00 0.00 H new ATOM 418 N VAL A 42 -7.723 6.500 -1.542 1.00 0.00 N ATOM 419 CA VAL A 42 -8.212 5.132 -1.410 1.00 0.00 C ATOM 420 C VAL A 42 -7.530 4.206 -2.412 1.00 0.00 C ATOM 421 O VAL A 42 -7.407 4.535 -3.592 1.00 0.00 O ATOM 422 CB VAL A 42 -9.737 5.061 -1.620 1.00 0.00 C ATOM 423 CG1 VAL A 42 -10.247 3.650 -1.372 1.00 0.00 C ATOM 424 CG2 VAL A 42 -10.445 6.058 -0.716 1.00 0.00 C ATOM 0 H VAL A 42 -8.137 7.021 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.975 4.806 -0.397 1.00 0.00 H new ATOM 0 HB VAL A 42 -9.955 5.323 -2.655 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.326 3.621 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.763 2.961 -2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.018 3.355 -0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.521 5.995 -0.877 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.220 5.829 0.326 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.102 7.066 -0.948 1.00 0.00 H new ATOM 434 N VAL A 43 -7.082 3.051 -1.932 1.00 0.00 N ATOM 435 CA VAL A 43 -6.404 2.078 -2.782 1.00 0.00 C ATOM 436 C VAL A 43 -6.987 0.677 -2.605 1.00 0.00 C ATOM 437 O VAL A 43 -7.325 0.273 -1.495 1.00 0.00 O ATOM 438 CB VAL A 43 -4.896 2.032 -2.473 1.00 0.00 C ATOM 439 CG1 VAL A 43 -4.180 1.061 -3.396 1.00 0.00 C ATOM 440 CG2 VAL A 43 -4.290 3.421 -2.575 1.00 0.00 C ATOM 0 H VAL A 43 -7.176 2.765 -0.957 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.556 2.399 -3.812 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.769 1.676 -1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.117 1.048 -3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.594 0.061 -3.264 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.315 1.376 -4.431 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -3.224 3.370 -2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.433 3.807 -3.584 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.778 4.084 -1.860 1.00 0.00 H new ATOM 450 N GLU A 44 -7.083 -0.064 -3.704 1.00 0.00 N ATOM 451 CA GLU A 44 -7.602 -1.427 -3.667 1.00 0.00 C ATOM 452 C GLU A 44 -6.446 -2.420 -3.586 1.00 0.00 C ATOM 453 O GLU A 44 -5.676 -2.565 -4.536 1.00 0.00 O ATOM 454 CB GLU A 44 -8.454 -1.710 -4.908 1.00 0.00 C ATOM 455 CG GLU A 44 -9.233 -3.012 -4.829 1.00 0.00 C ATOM 456 CD GLU A 44 -10.004 -3.306 -6.100 1.00 0.00 C ATOM 457 OE1 GLU A 44 -10.777 -2.429 -6.542 1.00 0.00 O ATOM 458 OE2 GLU A 44 -9.837 -4.412 -6.654 1.00 0.00 O ATOM 0 H GLU A 44 -6.808 0.257 -4.632 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.231 -1.539 -2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.153 -0.887 -5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.806 -1.737 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.544 -3.832 -4.628 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -9.927 -2.966 -3.990 1.00 0.00 H new ATOM 465 N VAL A 45 -6.319 -3.092 -2.445 1.00 0.00 N ATOM 466 CA VAL A 45 -5.242 -4.058 -2.251 1.00 0.00 C ATOM 467 C VAL A 45 -5.572 -5.387 -2.918 1.00 0.00 C ATOM 468 O VAL A 45 -6.682 -5.903 -2.784 1.00 0.00 O ATOM 469 CB VAL A 45 -4.950 -4.301 -0.757 1.00 0.00 C ATOM 470 CG1 VAL A 45 -3.903 -5.392 -0.580 1.00 0.00 C ATOM 471 CG2 VAL A 45 -4.500 -3.015 -0.083 1.00 0.00 C ATOM 0 H VAL A 45 -6.944 -2.987 -1.646 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.353 -3.630 -2.714 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.872 -4.634 -0.281 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.714 -5.546 0.482 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.266 -6.320 -1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.979 -5.093 -1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.299 -3.208 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.593 -2.650 -0.565 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.285 -2.264 -0.171 1.00 0.00 H new ATOM 481 N LEU A 46 -4.600 -5.930 -3.641 1.00 0.00 N ATOM 482 CA LEU A 46 -4.779 -7.195 -4.339 1.00 0.00 C ATOM 483 C LEU A 46 -4.304 -8.366 -3.485 1.00 0.00 C ATOM 484 O LEU A 46 -4.753 -9.498 -3.665 1.00 0.00 O ATOM 485 CB LEU A 46 -4.017 -7.174 -5.665 1.00 0.00 C ATOM 486 CG LEU A 46 -4.894 -7.191 -6.918 1.00 0.00 C ATOM 487 CD1 LEU A 46 -4.091 -6.758 -8.135 1.00 0.00 C ATOM 488 CD2 LEU A 46 -5.489 -8.574 -7.135 1.00 0.00 C ATOM 0 H LEU A 46 -3.677 -5.512 -3.759 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.843 -7.326 -4.536 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.390 -6.283 -5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.349 -8.035 -5.696 1.00 0.00 H new ATOM 0 HG LEU A 46 -5.712 -6.485 -6.776 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.730 -6.776 -9.018 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.713 -5.747 -7.981 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.253 -7.440 -8.280 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.110 -8.567 -8.031 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.686 -9.301 -7.256 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.098 -8.847 -6.274 1.00 0.00 H new ATOM 500 N ASP A 47 -3.392 -8.089 -2.555 1.00 0.00 N ATOM 501 CA ASP A 47 -2.860 -9.129 -1.681 1.00 0.00 C ATOM 502 C ASP A 47 -2.239 -8.539 -0.418 1.00 0.00 C ATOM 503 O ASP A 47 -1.071 -8.146 -0.413 1.00 0.00 O ATOM 504 CB ASP A 47 -1.822 -9.966 -2.428 1.00 0.00 C ATOM 505 CG ASP A 47 -2.198 -11.432 -2.494 1.00 0.00 C ATOM 506 OD1 ASP A 47 -3.123 -11.774 -3.261 1.00 0.00 O ATOM 507 OD2 ASP A 47 -1.568 -12.240 -1.780 1.00 0.00 O ATOM 0 H ASP A 47 -3.009 -7.158 -2.389 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.692 -9.766 -1.381 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -1.707 -9.578 -3.440 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.855 -9.864 -1.936 1.00 0.00 H new ATOM 512 N SER A 48 -3.022 -8.495 0.655 1.00 0.00 N ATOM 513 CA SER A 48 -2.551 -7.973 1.935 1.00 0.00 C ATOM 514 C SER A 48 -1.760 -9.022 2.677 1.00 0.00 C ATOM 515 O SER A 48 -1.336 -8.798 3.810 1.00 0.00 O ATOM 516 CB SER A 48 -3.728 -7.500 2.789 1.00 0.00 C ATOM 517 OG SER A 48 -4.919 -7.429 2.025 1.00 0.00 O ATOM 0 H SER A 48 -3.990 -8.816 0.664 1.00 0.00 H new ATOM 0 HA SER A 48 -1.900 -7.121 1.736 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.870 -8.183 3.627 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.504 -6.520 3.211 1.00 0.00 H new ATOM 0 HG SER A 48 -5.690 -7.603 2.604 1.00 0.00 H new ATOM 523 N SER A 49 -1.527 -10.161 2.035 1.00 0.00 N ATOM 524 CA SER A 49 -0.746 -11.188 2.681 1.00 0.00 C ATOM 525 C SER A 49 0.718 -10.788 2.621 1.00 0.00 C ATOM 526 O SER A 49 1.310 -10.719 1.545 1.00 0.00 O ATOM 527 CB SER A 49 -0.957 -12.541 1.998 1.00 0.00 C ATOM 528 OG SER A 49 -0.109 -13.531 2.550 1.00 0.00 O ATOM 0 H SER A 49 -1.859 -10.386 1.097 1.00 0.00 H new ATOM 0 HA SER A 49 -1.063 -11.289 3.719 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.997 -12.848 2.107 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.762 -12.446 0.930 1.00 0.00 H new ATOM 0 HG SER A 49 -0.265 -14.386 2.097 1.00 0.00 H new ATOM 534 N ASN A 50 1.265 -10.520 3.797 1.00 0.00 N ATOM 535 CA ASN A 50 2.651 -10.099 3.975 1.00 0.00 C ATOM 536 C ASN A 50 2.788 -9.430 5.339 1.00 0.00 C ATOM 537 O ASN A 50 1.793 -8.983 5.909 1.00 0.00 O ATOM 538 CB ASN A 50 3.062 -9.120 2.881 1.00 0.00 C ATOM 539 CG ASN A 50 3.912 -9.757 1.802 1.00 0.00 C ATOM 540 OD1 ASN A 50 4.861 -10.488 2.089 1.00 0.00 O ATOM 541 ND2 ASN A 50 3.569 -9.477 0.550 1.00 0.00 N ATOM 0 H ASN A 50 0.749 -10.590 4.674 1.00 0.00 H new ATOM 0 HA ASN A 50 3.301 -10.972 3.915 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.167 -8.696 2.427 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.614 -8.294 3.330 1.00 0.00 H new ATOM 0 HD21 ASN A 50 4.100 -9.873 -0.225 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.774 -8.866 0.364 1.00 0.00 H new ATOM 548 N PRO A 51 4.003 -9.364 5.901 1.00 0.00 N ATOM 549 CA PRO A 51 4.216 -8.765 7.209 1.00 0.00 C ATOM 550 C PRO A 51 4.547 -7.274 7.165 1.00 0.00 C ATOM 551 O PRO A 51 4.879 -6.685 8.195 1.00 0.00 O ATOM 552 CB PRO A 51 5.404 -9.562 7.732 1.00 0.00 C ATOM 553 CG PRO A 51 6.212 -9.880 6.513 1.00 0.00 C ATOM 554 CD PRO A 51 5.258 -9.890 5.338 1.00 0.00 C ATOM 0 HA PRO A 51 3.319 -8.808 7.826 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.983 -8.984 8.452 1.00 0.00 H new ATOM 0 HB3 PRO A 51 5.079 -10.470 8.240 1.00 0.00 H new ATOM 0 HG2 PRO A 51 6.996 -9.138 6.366 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.704 -10.847 6.618 1.00 0.00 H new ATOM 0 HD2 PRO A 51 5.622 -9.267 4.521 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.127 -10.895 4.938 1.00 0.00 H new ATOM 562 N SER A 52 4.457 -6.658 5.986 1.00 0.00 N ATOM 563 CA SER A 52 4.755 -5.231 5.866 1.00 0.00 C ATOM 564 C SER A 52 4.406 -4.680 4.486 1.00 0.00 C ATOM 565 O SER A 52 3.632 -3.732 4.369 1.00 0.00 O ATOM 566 CB SER A 52 6.234 -4.973 6.164 1.00 0.00 C ATOM 567 OG SER A 52 6.393 -4.240 7.366 1.00 0.00 O ATOM 0 H SER A 52 4.185 -7.115 5.115 1.00 0.00 H new ATOM 0 HA SER A 52 4.134 -4.712 6.596 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.763 -5.923 6.241 1.00 0.00 H new ATOM 0 HB3 SER A 52 6.684 -4.423 5.337 1.00 0.00 H new ATOM 0 HG SER A 52 5.959 -4.720 8.102 1.00 0.00 H new ATOM 573 N TRP A 53 4.992 -5.258 3.444 1.00 0.00 N ATOM 574 CA TRP A 53 4.745 -4.795 2.082 1.00 0.00 C ATOM 575 C TRP A 53 3.674 -5.633 1.388 1.00 0.00 C ATOM 576 O TRP A 53 3.888 -6.812 1.106 1.00 0.00 O ATOM 577 CB TRP A 53 6.038 -4.854 1.265 1.00 0.00 C ATOM 578 CG TRP A 53 6.929 -3.666 1.454 1.00 0.00 C ATOM 579 CD1 TRP A 53 7.979 -3.561 2.320 1.00 0.00 C ATOM 580 CD2 TRP A 53 6.856 -2.417 0.756 1.00 0.00 C ATOM 581 NE1 TRP A 53 8.563 -2.323 2.204 1.00 0.00 N ATOM 582 CE2 TRP A 53 7.890 -1.602 1.252 1.00 0.00 C ATOM 583 CE3 TRP A 53 6.016 -1.909 -0.239 1.00 0.00 C ATOM 584 CZ2 TRP A 53 8.106 -0.308 0.788 1.00 0.00 C ATOM 585 CZ3 TRP A 53 6.232 -0.624 -0.700 1.00 0.00 C ATOM 586 CH2 TRP A 53 7.268 0.164 -0.186 1.00 0.00 C ATOM 0 H TRP A 53 5.638 -6.044 3.514 1.00 0.00 H new ATOM 0 HA TRP A 53 4.390 -3.766 2.145 1.00 0.00 H new ATOM 0 HB2 TRP A 53 6.588 -5.755 1.537 1.00 0.00 H new ATOM 0 HB3 TRP A 53 5.785 -4.942 0.208 1.00 0.00 H new ATOM 0 HD1 TRP A 53 8.303 -4.337 2.997 1.00 0.00 H new ATOM 0 HE1 TRP A 53 9.367 -1.994 2.739 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.213 -2.509 -0.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 8.906 0.302 1.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 5.590 -0.221 -1.470 1.00 0.00 H new ATOM 0 HH2 TRP A 53 7.409 1.165 -0.566 1.00 0.00 H new ATOM 597 N TRP A 54 2.533 -5.016 1.090 1.00 0.00 N ATOM 598 CA TRP A 54 1.450 -5.715 0.403 1.00 0.00 C ATOM 599 C TRP A 54 1.334 -5.238 -1.041 1.00 0.00 C ATOM 600 O TRP A 54 1.500 -4.051 -1.327 1.00 0.00 O ATOM 601 CB TRP A 54 0.097 -5.498 1.090 1.00 0.00 C ATOM 602 CG TRP A 54 0.065 -5.805 2.555 1.00 0.00 C ATOM 603 CD1 TRP A 54 0.914 -6.609 3.247 1.00 0.00 C ATOM 604 CD2 TRP A 54 -0.896 -5.324 3.502 1.00 0.00 C ATOM 605 NE1 TRP A 54 0.537 -6.673 4.564 1.00 0.00 N ATOM 606 CE2 TRP A 54 -0.569 -5.884 4.748 1.00 0.00 C ATOM 607 CE3 TRP A 54 -2.000 -4.472 3.415 1.00 0.00 C ATOM 608 CZ2 TRP A 54 -1.308 -5.622 5.900 1.00 0.00 C ATOM 609 CZ3 TRP A 54 -2.733 -4.211 4.558 1.00 0.00 C ATOM 610 CH2 TRP A 54 -2.383 -4.784 5.786 1.00 0.00 C ATOM 0 H TRP A 54 2.335 -4.040 1.312 1.00 0.00 H new ATOM 0 HA TRP A 54 1.697 -6.776 0.435 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.202 -4.460 0.947 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.649 -6.116 0.590 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.763 -7.123 2.821 1.00 0.00 H new ATOM 0 HE1 TRP A 54 1.003 -7.219 5.289 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -2.276 -4.025 2.471 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.042 -6.065 6.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.589 -3.555 4.502 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.974 -4.560 6.662 1.00 0.00 H new ATOM 621 N THR A 55 1.029 -6.163 -1.945 1.00 0.00 N ATOM 622 CA THR A 55 0.869 -5.826 -3.354 1.00 0.00 C ATOM 623 C THR A 55 -0.544 -5.316 -3.628 1.00 0.00 C ATOM 624 O THR A 55 -1.520 -6.048 -3.459 1.00 0.00 O ATOM 625 CB THR A 55 1.154 -7.039 -4.259 1.00 0.00 C ATOM 626 OG1 THR A 55 2.192 -7.844 -3.688 1.00 0.00 O ATOM 627 CG2 THR A 55 1.564 -6.589 -5.653 1.00 0.00 C ATOM 0 H THR A 55 0.888 -7.149 -1.727 1.00 0.00 H new ATOM 0 HA THR A 55 1.591 -5.042 -3.583 1.00 0.00 H new ATOM 0 HB THR A 55 0.240 -7.628 -4.338 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.366 -8.614 -4.269 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.760 -7.463 -6.274 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.760 -6.001 -6.097 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.466 -5.980 -5.588 1.00 0.00 H new ATOM 635 N GLY A 56 -0.647 -4.056 -4.047 1.00 0.00 N ATOM 636 CA GLY A 56 -1.944 -3.466 -4.333 1.00 0.00 C ATOM 637 C GLY A 56 -1.879 -2.466 -5.473 1.00 0.00 C ATOM 638 O GLY A 56 -0.826 -2.284 -6.081 1.00 0.00 O ATOM 0 H GLY A 56 0.147 -3.433 -4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.653 -4.255 -4.584 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.321 -2.971 -3.438 1.00 0.00 H new ATOM 642 N ARG A 57 -3.004 -1.817 -5.770 1.00 0.00 N ATOM 643 CA ARG A 57 -3.042 -0.838 -6.853 1.00 0.00 C ATOM 644 C ARG A 57 -3.988 0.321 -6.544 1.00 0.00 C ATOM 645 O ARG A 57 -5.098 0.122 -6.051 1.00 0.00 O ATOM 646 CB ARG A 57 -3.450 -1.510 -8.165 1.00 0.00 C ATOM 647 CG ARG A 57 -4.807 -2.190 -8.106 1.00 0.00 C ATOM 648 CD ARG A 57 -5.631 -1.902 -9.351 1.00 0.00 C ATOM 649 NE ARG A 57 -6.928 -1.315 -9.027 1.00 0.00 N ATOM 650 CZ ARG A 57 -8.082 -1.970 -9.133 1.00 0.00 C ATOM 651 NH1 ARG A 57 -8.098 -3.230 -9.544 1.00 0.00 N ATOM 652 NH2 ARG A 57 -9.220 -1.363 -8.825 1.00 0.00 N ATOM 0 H ARG A 57 -3.890 -1.949 -5.283 1.00 0.00 H new ATOM 0 HA ARG A 57 -2.037 -0.428 -6.954 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -3.462 -0.762 -8.958 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -2.695 -2.248 -8.435 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -4.671 -3.266 -8.000 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.348 -1.848 -7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -5.079 -1.224 -10.002 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.781 -2.827 -9.908 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.951 -0.349 -8.701 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.224 -3.701 -9.780 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.984 -3.729 -9.624 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.211 -0.394 -8.507 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.104 -1.865 -8.906 1.00 0.00 H new ATOM 666 N LEU A 58 -3.533 1.535 -6.855 1.00 0.00 N ATOM 667 CA LEU A 58 -4.320 2.746 -6.633 1.00 0.00 C ATOM 668 C LEU A 58 -4.877 3.257 -7.955 1.00 0.00 C ATOM 669 O LEU A 58 -4.121 3.672 -8.833 1.00 0.00 O ATOM 670 CB LEU A 58 -3.456 3.830 -5.971 1.00 0.00 C ATOM 671 CG LEU A 58 -3.999 5.262 -6.060 1.00 0.00 C ATOM 672 CD1 LEU A 58 -3.917 5.954 -4.709 1.00 0.00 C ATOM 673 CD2 LEU A 58 -3.235 6.057 -7.106 1.00 0.00 C ATOM 0 H LEU A 58 -2.615 1.705 -7.265 1.00 0.00 H new ATOM 0 HA LEU A 58 -5.150 2.506 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.329 3.574 -4.919 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.466 3.808 -6.427 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.046 5.210 -6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.307 6.968 -4.795 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -4.507 5.399 -3.980 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.878 5.992 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.634 7.070 -7.156 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.180 6.095 -6.835 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.343 5.577 -8.079 1.00 0.00 H new ATOM 685 N HIS A 59 -6.201 3.212 -8.093 1.00 0.00 N ATOM 686 CA HIS A 59 -6.866 3.661 -9.314 1.00 0.00 C ATOM 687 C HIS A 59 -6.514 2.749 -10.485 1.00 0.00 C ATOM 688 O HIS A 59 -7.298 1.875 -10.857 1.00 0.00 O ATOM 689 CB HIS A 59 -6.489 5.110 -9.638 1.00 0.00 C ATOM 690 CG HIS A 59 -7.101 6.111 -8.707 1.00 0.00 C ATOM 691 ND1 HIS A 59 -7.375 7.411 -9.077 1.00 0.00 N ATOM 692 CD2 HIS A 59 -7.495 6.000 -7.415 1.00 0.00 C ATOM 693 CE1 HIS A 59 -7.910 8.055 -8.054 1.00 0.00 C ATOM 694 NE2 HIS A 59 -7.994 7.221 -7.035 1.00 0.00 N ATOM 0 H HIS A 59 -6.835 2.868 -7.372 1.00 0.00 H new ATOM 0 HA HIS A 59 -7.942 3.614 -9.148 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -5.404 5.211 -9.604 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -6.799 5.338 -10.658 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.429 5.115 -6.799 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -8.225 9.088 -8.053 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -8.369 7.447 -6.114 1.00 0.00 H new ATOM 703 N ASN A 60 -5.334 2.953 -11.065 1.00 0.00 N ATOM 704 CA ASN A 60 -4.893 2.139 -12.192 1.00 0.00 C ATOM 705 C ASN A 60 -3.395 1.849 -12.130 1.00 0.00 C ATOM 706 O ASN A 60 -2.825 1.302 -13.074 1.00 0.00 O ATOM 707 CB ASN A 60 -5.237 2.831 -13.511 1.00 0.00 C ATOM 708 CG ASN A 60 -5.876 1.892 -14.510 1.00 0.00 C ATOM 709 OD1 ASN A 60 -6.687 1.038 -14.150 1.00 0.00 O ATOM 710 ND2 ASN A 60 -5.513 2.048 -15.776 1.00 0.00 N ATOM 0 H ASN A 60 -4.670 3.671 -10.775 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.419 1.186 -12.135 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.914 3.663 -13.315 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.330 3.253 -13.943 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.910 1.447 -16.498 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.837 2.769 -16.028 1.00 0.00 H new ATOM 717 N LYS A 61 -2.765 2.200 -11.013 1.00 0.00 N ATOM 718 CA LYS A 61 -1.339 1.953 -10.839 1.00 0.00 C ATOM 719 C LYS A 61 -1.130 0.714 -9.981 1.00 0.00 C ATOM 720 O LYS A 61 -1.651 0.634 -8.873 1.00 0.00 O ATOM 721 CB LYS A 61 -0.664 3.156 -10.178 1.00 0.00 C ATOM 722 CG LYS A 61 -0.996 4.483 -10.839 1.00 0.00 C ATOM 723 CD LYS A 61 -0.154 5.611 -10.270 1.00 0.00 C ATOM 724 CE LYS A 61 -1.006 6.625 -9.528 1.00 0.00 C ATOM 725 NZ LYS A 61 -1.187 7.881 -10.309 1.00 0.00 N ATOM 0 H LYS A 61 -3.217 2.654 -10.219 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.892 1.795 -11.820 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.962 3.198 -9.130 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.416 3.011 -10.197 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.828 4.408 -11.913 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -2.053 4.708 -10.696 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.596 5.201 -9.594 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.383 6.108 -11.078 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.981 6.189 -9.311 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.541 6.858 -8.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.775 8.546 -9.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.259 8.311 -10.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.654 7.664 -11.212 1.00 0.00 H new ATOM 739 N LEU A 62 -0.370 -0.247 -10.493 1.00 0.00 N ATOM 740 CA LEU A 62 -0.113 -1.480 -9.755 1.00 0.00 C ATOM 741 C LEU A 62 1.288 -1.488 -9.160 1.00 0.00 C ATOM 742 O LEU A 62 2.235 -0.977 -9.760 1.00 0.00 O ATOM 743 CB LEU A 62 -0.296 -2.697 -10.664 1.00 0.00 C ATOM 744 CG LEU A 62 -1.527 -2.651 -11.572 1.00 0.00 C ATOM 745 CD1 LEU A 62 -1.197 -3.216 -12.945 1.00 0.00 C ATOM 746 CD2 LEU A 62 -2.681 -3.416 -10.942 1.00 0.00 C ATOM 0 H LEU A 62 0.076 -0.198 -11.409 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.833 -1.531 -8.938 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.592 -2.802 -11.287 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.356 -3.590 -10.042 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.829 -1.611 -11.693 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.084 -3.176 -13.578 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.400 -2.627 -13.399 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.870 -4.251 -12.844 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.548 -3.373 -11.601 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.390 -4.456 -10.792 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.933 -2.968 -9.981 1.00 0.00 H new ATOM 758 N GLY A 63 1.409 -2.078 -7.977 1.00 0.00 N ATOM 759 CA GLY A 63 2.694 -2.156 -7.313 1.00 0.00 C ATOM 760 C GLY A 63 2.567 -2.518 -5.847 1.00 0.00 C ATOM 761 O GLY A 63 1.562 -3.089 -5.429 1.00 0.00 O ATOM 0 H GLY A 63 0.637 -2.505 -7.465 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.315 -2.898 -7.815 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.206 -1.198 -7.405 1.00 0.00 H new ATOM 765 N LEU A 64 3.588 -2.187 -5.066 1.00 0.00 N ATOM 766 CA LEU A 64 3.588 -2.483 -3.636 1.00 0.00 C ATOM 767 C LEU A 64 3.489 -1.200 -2.816 1.00 0.00 C ATOM 768 O LEU A 64 3.876 -0.127 -3.279 1.00 0.00 O ATOM 769 CB LEU A 64 4.853 -3.253 -3.252 1.00 0.00 C ATOM 770 CG LEU A 64 5.634 -3.845 -4.427 1.00 0.00 C ATOM 771 CD1 LEU A 64 7.053 -4.189 -4.004 1.00 0.00 C ATOM 772 CD2 LEU A 64 4.926 -5.076 -4.973 1.00 0.00 C ATOM 0 H LEU A 64 4.428 -1.713 -5.398 1.00 0.00 H new ATOM 0 HA LEU A 64 2.717 -3.101 -3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.512 -2.585 -2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.576 -4.062 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 64 5.683 -3.098 -5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 64 7.594 -4.609 -4.852 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.559 -3.287 -3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 64 7.025 -4.919 -3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 64 5.496 -5.483 -5.808 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.845 -5.828 -4.188 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.928 -4.800 -5.315 1.00 0.00 H new ATOM 784 N PHE A 65 2.963 -1.316 -1.600 1.00 0.00 N ATOM 785 CA PHE A 65 2.809 -0.160 -0.724 1.00 0.00 C ATOM 786 C PHE A 65 3.121 -0.517 0.732 1.00 0.00 C ATOM 787 O PHE A 65 3.135 -1.691 1.102 1.00 0.00 O ATOM 788 CB PHE A 65 1.381 0.392 -0.830 1.00 0.00 C ATOM 789 CG PHE A 65 0.413 -0.260 0.114 1.00 0.00 C ATOM 790 CD1 PHE A 65 0.270 0.219 1.403 1.00 0.00 C ATOM 791 CD2 PHE A 65 -0.338 -1.354 -0.281 1.00 0.00 C ATOM 792 CE1 PHE A 65 -0.602 -0.376 2.285 1.00 0.00 C ATOM 793 CE2 PHE A 65 -1.216 -1.958 0.598 1.00 0.00 C ATOM 794 CZ PHE A 65 -1.348 -1.469 1.886 1.00 0.00 C ATOM 0 H PHE A 65 2.637 -2.196 -1.200 1.00 0.00 H new ATOM 0 HA PHE A 65 3.519 0.602 -1.046 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.400 1.464 -0.635 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.024 0.260 -1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.851 1.072 1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.237 -1.739 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.704 0.011 3.288 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -1.798 -2.810 0.281 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.032 -1.940 2.577 1.00 0.00 H new ATOM 804 N PRO A 66 3.371 0.501 1.581 1.00 0.00 N ATOM 805 CA PRO A 66 3.675 0.299 3.005 1.00 0.00 C ATOM 806 C PRO A 66 2.424 0.060 3.849 1.00 0.00 C ATOM 807 O PRO A 66 1.583 0.949 3.992 1.00 0.00 O ATOM 808 CB PRO A 66 4.298 1.633 3.391 1.00 0.00 C ATOM 809 CG PRO A 66 3.546 2.610 2.562 1.00 0.00 C ATOM 810 CD PRO A 66 3.379 1.941 1.229 1.00 0.00 C ATOM 0 HA PRO A 66 4.304 -0.576 3.171 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.185 1.837 4.456 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.366 1.657 3.173 1.00 0.00 H new ATOM 0 HG2 PRO A 66 2.580 2.846 3.009 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.091 3.549 2.467 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.453 2.242 0.739 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.195 2.186 0.549 1.00 0.00 H new ATOM 818 N ALA A 67 2.305 -1.134 4.418 1.00 0.00 N ATOM 819 CA ALA A 67 1.155 -1.462 5.251 1.00 0.00 C ATOM 820 C ALA A 67 1.230 -0.754 6.600 1.00 0.00 C ATOM 821 O ALA A 67 0.255 -0.735 7.354 1.00 0.00 O ATOM 822 CB ALA A 67 1.057 -2.965 5.450 1.00 0.00 C ATOM 0 H ALA A 67 2.986 -1.887 4.319 1.00 0.00 H new ATOM 0 HA ALA A 67 0.259 -1.114 4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.193 -3.194 6.074 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.945 -3.454 4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.962 -3.327 5.937 1.00 0.00 H new ATOM 828 N ASN A 68 2.390 -0.178 6.904 1.00 0.00 N ATOM 829 CA ASN A 68 2.587 0.522 8.163 1.00 0.00 C ATOM 830 C ASN A 68 2.280 2.009 8.021 1.00 0.00 C ATOM 831 O ASN A 68 1.974 2.684 9.004 1.00 0.00 O ATOM 832 CB ASN A 68 4.024 0.335 8.644 1.00 0.00 C ATOM 833 CG ASN A 68 5.031 0.410 7.514 1.00 0.00 C ATOM 834 OD1 ASN A 68 5.418 -0.611 6.942 1.00 0.00 O ATOM 835 ND2 ASN A 68 5.465 1.623 7.188 1.00 0.00 N ATOM 0 H ASN A 68 3.207 -0.184 6.293 1.00 0.00 H new ATOM 0 HA ASN A 68 1.899 0.100 8.896 1.00 0.00 H new ATOM 0 HB2 ASN A 68 4.258 1.099 9.385 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.114 -0.630 9.142 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.146 1.736 6.437 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.117 2.441 7.689 1.00 0.00 H new ATOM 842 N TYR A 69 2.368 2.516 6.795 1.00 0.00 N ATOM 843 CA TYR A 69 2.101 3.926 6.536 1.00 0.00 C ATOM 844 C TYR A 69 0.606 4.182 6.387 1.00 0.00 C ATOM 845 O TYR A 69 0.091 5.185 6.883 1.00 0.00 O ATOM 846 CB TYR A 69 2.838 4.392 5.280 1.00 0.00 C ATOM 847 CG TYR A 69 3.607 5.679 5.471 1.00 0.00 C ATOM 848 CD1 TYR A 69 4.636 5.767 6.402 1.00 0.00 C ATOM 849 CD2 TYR A 69 3.306 6.808 4.719 1.00 0.00 C ATOM 850 CE1 TYR A 69 5.341 6.943 6.577 1.00 0.00 C ATOM 851 CE2 TYR A 69 4.007 7.987 4.888 1.00 0.00 C ATOM 852 CZ TYR A 69 5.023 8.049 5.818 1.00 0.00 C ATOM 853 OH TYR A 69 5.723 9.221 5.989 1.00 0.00 O ATOM 0 H TYR A 69 2.621 1.974 5.969 1.00 0.00 H new ATOM 0 HA TYR A 69 2.465 4.496 7.391 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.528 3.610 4.963 1.00 0.00 H new ATOM 0 HB3 TYR A 69 2.116 4.526 4.474 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.889 4.903 6.998 1.00 0.00 H new ATOM 0 HD2 TYR A 69 2.511 6.763 3.990 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.137 6.995 7.305 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.760 8.855 4.295 1.00 0.00 H new ATOM 0 HH TYR A 69 5.375 9.902 5.377 1.00 0.00 H new ATOM 863 N VAL A 70 -0.088 3.279 5.700 1.00 0.00 N ATOM 864 CA VAL A 70 -1.526 3.436 5.495 1.00 0.00 C ATOM 865 C VAL A 70 -2.303 2.231 6.028 1.00 0.00 C ATOM 866 O VAL A 70 -1.734 1.161 6.248 1.00 0.00 O ATOM 867 CB VAL A 70 -1.853 3.646 4.000 1.00 0.00 C ATOM 868 CG1 VAL A 70 -0.674 4.281 3.278 1.00 0.00 C ATOM 869 CG2 VAL A 70 -2.242 2.335 3.335 1.00 0.00 C ATOM 0 H VAL A 70 0.315 2.441 5.280 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.834 4.320 6.053 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.705 4.323 3.935 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.924 4.421 2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.449 5.247 3.729 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.197 3.630 3.361 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.467 2.513 2.283 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.417 1.628 3.415 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.122 1.923 3.829 1.00 0.00 H new ATOM 879 N ALA A 71 -3.606 2.421 6.246 1.00 0.00 N ATOM 880 CA ALA A 71 -4.463 1.354 6.766 1.00 0.00 C ATOM 881 C ALA A 71 -5.683 1.130 5.873 1.00 0.00 C ATOM 882 O ALA A 71 -6.172 2.063 5.236 1.00 0.00 O ATOM 883 CB ALA A 71 -4.902 1.685 8.185 1.00 0.00 C ATOM 0 H ALA A 71 -4.090 3.302 6.071 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.884 0.430 6.774 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.539 0.886 8.564 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.024 1.783 8.824 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.457 2.623 8.185 1.00 0.00 H new ATOM 889 N PRO A 72 -6.190 -0.120 5.805 1.00 0.00 N ATOM 890 CA PRO A 72 -7.351 -0.463 4.974 1.00 0.00 C ATOM 891 C PRO A 72 -8.613 0.297 5.344 1.00 0.00 C ATOM 892 O PRO A 72 -8.614 1.147 6.234 1.00 0.00 O ATOM 893 CB PRO A 72 -7.549 -1.961 5.210 1.00 0.00 C ATOM 894 CG PRO A 72 -6.235 -2.442 5.704 1.00 0.00 C ATOM 895 CD PRO A 72 -5.669 -1.305 6.512 1.00 0.00 C ATOM 0 HA PRO A 72 -7.168 -0.198 3.933 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -8.338 -2.146 5.939 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -7.838 -2.472 4.291 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -6.349 -3.338 6.314 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -5.575 -2.702 4.876 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.003 -1.338 7.549 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.579 -1.321 6.528 1.00 0.00 H new ATOM 903 N MET A 73 -9.681 -0.019 4.626 1.00 0.00 N ATOM 904 CA MET A 73 -10.970 0.617 4.828 1.00 0.00 C ATOM 905 C MET A 73 -12.099 -0.369 4.537 1.00 0.00 C ATOM 906 O MET A 73 -12.451 -0.598 3.380 1.00 0.00 O ATOM 907 CB MET A 73 -11.083 1.825 3.905 1.00 0.00 C ATOM 908 CG MET A 73 -11.964 2.937 4.450 1.00 0.00 C ATOM 909 SD MET A 73 -13.689 2.764 3.959 1.00 0.00 S ATOM 910 CE MET A 73 -13.551 2.903 2.179 1.00 0.00 C ATOM 0 H MET A 73 -9.676 -0.723 3.888 1.00 0.00 H new ATOM 0 HA MET A 73 -11.053 0.940 5.866 1.00 0.00 H new ATOM 0 HB2 MET A 73 -10.085 2.223 3.720 1.00 0.00 H new ATOM 0 HB3 MET A 73 -11.479 1.499 2.943 1.00 0.00 H new ATOM 0 HG2 MET A 73 -11.900 2.945 5.538 1.00 0.00 H new ATOM 0 HG3 MET A 73 -11.586 3.898 4.101 1.00 0.00 H new ATOM 0 HE1 MET A 73 -14.450 3.372 1.780 1.00 0.00 H new ATOM 0 HE2 MET A 73 -12.682 3.511 1.928 1.00 0.00 H new ATOM 0 HE3 MET A 73 -13.437 1.910 1.744 1.00 0.00 H new ATOM 920 N MET A 74 -12.660 -0.953 5.591 1.00 0.00 N ATOM 921 CA MET A 74 -13.743 -1.918 5.438 1.00 0.00 C ATOM 922 C MET A 74 -15.037 -1.225 5.026 1.00 0.00 C ATOM 923 O MET A 74 -15.661 -0.524 5.824 1.00 0.00 O ATOM 924 CB MET A 74 -13.953 -2.690 6.741 1.00 0.00 C ATOM 925 CG MET A 74 -14.969 -3.816 6.625 1.00 0.00 C ATOM 926 SD MET A 74 -15.753 -4.210 8.200 1.00 0.00 S ATOM 927 CE MET A 74 -15.709 -6.000 8.162 1.00 0.00 C ATOM 0 H MET A 74 -12.384 -0.776 6.557 1.00 0.00 H new ATOM 0 HA MET A 74 -13.464 -2.618 4.651 1.00 0.00 H new ATOM 0 HB2 MET A 74 -12.999 -3.105 7.065 1.00 0.00 H new ATOM 0 HB3 MET A 74 -14.279 -1.996 7.516 1.00 0.00 H new ATOM 0 HG2 MET A 74 -15.735 -3.535 5.902 1.00 0.00 H new ATOM 0 HG3 MET A 74 -14.475 -4.707 6.237 1.00 0.00 H new ATOM 0 HE1 MET A 74 -16.160 -6.394 9.073 1.00 0.00 H new ATOM 0 HE2 MET A 74 -16.265 -6.359 7.296 1.00 0.00 H new ATOM 0 HE3 MET A 74 -14.675 -6.337 8.094 1.00 0.00 H new ATOM 937 N ARG A 75 -15.435 -1.428 3.774 1.00 0.00 N ATOM 938 CA ARG A 75 -16.656 -0.826 3.249 1.00 0.00 C ATOM 939 C ARG A 75 -17.893 -1.521 3.812 1.00 0.00 C ATOM 940 O ARG A 75 -18.902 -1.617 3.082 1.00 0.00 O ATOM 941 CB ARG A 75 -16.665 -0.897 1.721 1.00 0.00 C ATOM 942 CG ARG A 75 -15.398 -0.354 1.079 1.00 0.00 C ATOM 943 CD ARG A 75 -15.302 -0.747 -0.387 1.00 0.00 C ATOM 944 NE ARG A 75 -16.045 0.168 -1.249 1.00 0.00 N ATOM 945 CZ ARG A 75 -16.774 -0.226 -2.289 1.00 0.00 C ATOM 946 NH1 ARG A 75 -16.855 -1.514 -2.596 1.00 0.00 N ATOM 947 NH2 ARG A 75 -17.423 0.667 -3.023 1.00 0.00 N ATOM 948 OXT ARG A 75 -17.844 -1.963 4.980 1.00 0.00 O ATOM 0 H ARG A 75 -14.929 -2.006 3.103 1.00 0.00 H new ATOM 0 HA ARG A 75 -16.680 0.219 3.558 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -16.802 -1.934 1.415 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -17.522 -0.338 1.345 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -15.381 0.732 1.167 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -14.527 -0.731 1.615 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.255 -0.761 -0.691 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.685 -1.759 -0.517 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.002 1.166 -1.042 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.357 -2.205 -2.034 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.415 -1.814 -3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.364 1.658 -2.790 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.982 0.363 -3.820 1.00 0.00 H new TER 962 ARG A 75 ATOM 963 N ALA B 76 6.052 8.806 12.696 1.00 0.00 N ATOM 964 CA ALA B 76 6.224 8.482 11.257 1.00 0.00 C ATOM 965 C ALA B 76 6.664 7.032 11.072 1.00 0.00 C ATOM 966 O ALA B 76 7.854 6.723 11.142 1.00 0.00 O ATOM 967 CB ALA B 76 7.236 9.425 10.622 1.00 0.00 C ATOM 0 HA ALA B 76 5.261 8.611 10.762 1.00 0.00 H new ATOM 0 HB1 ALA B 76 7.353 9.177 9.567 1.00 0.00 H new ATOM 0 HB2 ALA B 76 6.885 10.453 10.716 1.00 0.00 H new ATOM 0 HB3 ALA B 76 8.196 9.322 11.127 1.00 0.00 H new ATOM 975 N PRO B 77 5.705 6.118 10.834 1.00 0.00 N ATOM 976 CA PRO B 77 5.992 4.695 10.642 1.00 0.00 C ATOM 977 C PRO B 77 7.081 4.454 9.601 1.00 0.00 C ATOM 978 O PRO B 77 6.975 4.905 8.461 1.00 0.00 O ATOM 979 CB PRO B 77 4.661 4.102 10.160 1.00 0.00 C ATOM 980 CG PRO B 77 3.763 5.265 9.895 1.00 0.00 C ATOM 981 CD PRO B 77 4.267 6.396 10.740 1.00 0.00 C ATOM 0 HA PRO B 77 6.363 4.241 11.561 1.00 0.00 H new ATOM 0 HB2 PRO B 77 4.803 3.506 9.259 1.00 0.00 H new ATOM 0 HB3 PRO B 77 4.232 3.442 10.914 1.00 0.00 H new ATOM 0 HG2 PRO B 77 3.778 5.534 8.839 1.00 0.00 H new ATOM 0 HG3 PRO B 77 2.731 5.023 10.147 1.00 0.00 H new ATOM 0 HD2 PRO B 77 4.072 7.364 10.278 1.00 0.00 H new ATOM 0 HD3 PRO B 77 3.793 6.410 11.721 1.00 0.00 H new ATOM 989 N SER B 78 8.125 3.734 10.002 1.00 0.00 N ATOM 990 CA SER B 78 9.232 3.425 9.104 1.00 0.00 C ATOM 991 C SER B 78 8.941 2.172 8.303 1.00 0.00 C ATOM 992 O SER B 78 8.297 1.242 8.789 1.00 0.00 O ATOM 993 CB SER B 78 10.534 3.260 9.890 1.00 0.00 C ATOM 994 OG SER B 78 11.655 3.633 9.107 1.00 0.00 O ATOM 0 H SER B 78 8.227 3.354 10.943 1.00 0.00 H new ATOM 0 HA SER B 78 9.347 4.259 8.411 1.00 0.00 H new ATOM 0 HB2 SER B 78 10.497 3.871 10.792 1.00 0.00 H new ATOM 0 HB3 SER B 78 10.640 2.224 10.211 1.00 0.00 H new ATOM 0 HG SER B 78 12.474 3.520 9.633 1.00 0.00 H new ATOM 1000 N ILE B 79 9.406 2.166 7.063 1.00 0.00 N ATOM 1001 CA ILE B 79 9.185 1.041 6.179 1.00 0.00 C ATOM 1002 C ILE B 79 10.479 0.302 5.870 1.00 0.00 C ATOM 1003 O ILE B 79 11.522 0.909 5.621 1.00 0.00 O ATOM 1004 CB ILE B 79 8.503 1.498 4.869 1.00 0.00 C ATOM 1005 CG1 ILE B 79 7.173 0.771 4.699 1.00 0.00 C ATOM 1006 CG2 ILE B 79 9.399 1.282 3.653 1.00 0.00 C ATOM 1007 CD1 ILE B 79 7.307 -0.721 4.476 1.00 0.00 C ATOM 0 H ILE B 79 9.939 2.931 6.649 1.00 0.00 H new ATOM 0 HA ILE B 79 8.522 0.348 6.698 1.00 0.00 H new ATOM 0 HB ILE B 79 8.320 2.570 4.941 1.00 0.00 H new ATOM 0 HG12 ILE B 79 6.562 0.941 5.586 1.00 0.00 H new ATOM 0 HG13 ILE B 79 6.638 1.207 3.855 1.00 0.00 H new ATOM 0 HG21 ILE B 79 8.880 1.617 2.755 1.00 0.00 H new ATOM 0 HG22 ILE B 79 10.320 1.852 3.774 1.00 0.00 H new ATOM 0 HG23 ILE B 79 9.638 0.222 3.561 1.00 0.00 H new ATOM 0 HD11 ILE B 79 6.317 -1.163 4.365 1.00 0.00 H new ATOM 0 HD12 ILE B 79 7.889 -0.903 3.573 1.00 0.00 H new ATOM 0 HD13 ILE B 79 7.812 -1.173 5.330 1.00 0.00 H new ATOM 1019 N ASP B 80 10.389 -1.018 5.886 1.00 0.00 N ATOM 1020 CA ASP B 80 11.532 -1.874 5.600 1.00 0.00 C ATOM 1021 C ASP B 80 11.348 -2.575 4.257 1.00 0.00 C ATOM 1022 O ASP B 80 10.575 -3.526 4.141 1.00 0.00 O ATOM 1023 CB ASP B 80 11.713 -2.909 6.713 1.00 0.00 C ATOM 1024 CG ASP B 80 12.795 -2.511 7.698 1.00 0.00 C ATOM 1025 OD1 ASP B 80 12.911 -1.304 7.998 1.00 0.00 O ATOM 1026 OD2 ASP B 80 13.524 -3.407 8.172 1.00 0.00 O ATOM 0 H ASP B 80 9.529 -1.525 6.096 1.00 0.00 H new ATOM 0 HA ASP B 80 12.426 -1.252 5.551 1.00 0.00 H new ATOM 0 HB2 ASP B 80 10.770 -3.037 7.244 1.00 0.00 H new ATOM 0 HB3 ASP B 80 11.963 -3.874 6.272 1.00 0.00 H new ATOM 1031 N ARG B 81 12.057 -2.091 3.241 1.00 0.00 N ATOM 1032 CA ARG B 81 11.968 -2.660 1.898 1.00 0.00 C ATOM 1033 C ARG B 81 12.572 -4.061 1.848 1.00 0.00 C ATOM 1034 O ARG B 81 12.494 -4.743 0.827 1.00 0.00 O ATOM 1035 CB ARG B 81 12.674 -1.751 0.891 1.00 0.00 C ATOM 1036 CG ARG B 81 12.339 -0.279 1.064 1.00 0.00 C ATOM 1037 CD ARG B 81 12.354 0.469 -0.263 1.00 0.00 C ATOM 1038 NE ARG B 81 12.877 -0.347 -1.356 1.00 0.00 N ATOM 1039 CZ ARG B 81 14.147 -0.322 -1.754 1.00 0.00 C ATOM 1040 NH1 ARG B 81 15.023 0.462 -1.139 1.00 0.00 N ATOM 1041 NH2 ARG B 81 14.541 -1.084 -2.764 1.00 0.00 N ATOM 0 H ARG B 81 12.701 -1.304 3.322 1.00 0.00 H new ATOM 0 HA ARG B 81 10.913 -2.736 1.636 1.00 0.00 H new ATOM 0 HB2 ARG B 81 13.752 -1.884 0.987 1.00 0.00 H new ATOM 0 HB3 ARG B 81 12.403 -2.061 -0.118 1.00 0.00 H new ATOM 0 HG2 ARG B 81 11.355 -0.183 1.524 1.00 0.00 H new ATOM 0 HG3 ARG B 81 13.056 0.178 1.746 1.00 0.00 H new ATOM 0 HD2 ARG B 81 11.342 0.792 -0.506 1.00 0.00 H new ATOM 0 HD3 ARG B 81 12.960 1.369 -0.163 1.00 0.00 H new ATOM 0 HE ARG B 81 12.233 -0.971 -1.842 1.00 0.00 H new ATOM 0 HH11 ARG B 81 14.724 1.047 -0.359 1.00 0.00 H new ATOM 0 HH12 ARG B 81 15.996 0.479 -1.446 1.00 0.00 H new ATOM 0 HH21 ARG B 81 13.871 -1.690 -3.237 1.00 0.00 H new ATOM 0 HH22 ARG B 81 15.514 -1.064 -3.068 1.00 0.00 H new ATOM 1055 N SER B 82 13.172 -4.483 2.955 1.00 0.00 N ATOM 1056 CA SER B 82 13.784 -5.803 3.036 1.00 0.00 C ATOM 1057 C SER B 82 12.736 -6.865 3.349 1.00 0.00 C ATOM 1058 O SER B 82 13.062 -8.038 3.533 1.00 0.00 O ATOM 1059 CB SER B 82 14.878 -5.815 4.106 1.00 0.00 C ATOM 1060 OG SER B 82 14.686 -4.769 5.042 1.00 0.00 O ATOM 0 H SER B 82 13.248 -3.930 3.809 1.00 0.00 H new ATOM 0 HA SER B 82 14.231 -6.032 2.069 1.00 0.00 H new ATOM 0 HB2 SER B 82 14.875 -6.775 4.623 1.00 0.00 H new ATOM 0 HB3 SER B 82 15.855 -5.710 3.633 1.00 0.00 H new ATOM 0 HG SER B 82 15.397 -4.799 5.716 1.00 0.00 H new ATOM 1066 N THR B 83 11.477 -6.442 3.418 1.00 0.00 N ATOM 1067 CA THR B 83 10.380 -7.355 3.719 1.00 0.00 C ATOM 1068 C THR B 83 9.337 -7.367 2.604 1.00 0.00 C ATOM 1069 O THR B 83 8.206 -7.811 2.805 1.00 0.00 O ATOM 1070 CB THR B 83 9.691 -6.978 5.045 1.00 0.00 C ATOM 1071 OG1 THR B 83 8.589 -6.101 4.791 1.00 0.00 O ATOM 1072 CG2 THR B 83 10.669 -6.305 5.997 1.00 0.00 C ATOM 0 H THR B 83 11.192 -5.474 3.270 1.00 0.00 H new ATOM 0 HA THR B 83 10.816 -8.350 3.807 1.00 0.00 H new ATOM 0 HB THR B 83 9.329 -7.895 5.511 1.00 0.00 H new ATOM 0 HG1 THR B 83 8.802 -5.204 5.123 1.00 0.00 H new ATOM 0 HG21 THR B 83 10.157 -6.050 6.925 1.00 0.00 H new ATOM 0 HG22 THR B 83 11.493 -6.985 6.213 1.00 0.00 H new ATOM 0 HG23 THR B 83 11.059 -5.397 5.536 1.00 0.00 H new ATOM 1080 N LYS B 84 9.724 -6.879 1.428 1.00 0.00 N ATOM 1081 CA LYS B 84 8.823 -6.836 0.278 1.00 0.00 C ATOM 1082 C LYS B 84 8.249 -8.222 -0.019 1.00 0.00 C ATOM 1083 O LYS B 84 8.818 -9.233 0.394 1.00 0.00 O ATOM 1084 CB LYS B 84 9.566 -6.304 -0.948 1.00 0.00 C ATOM 1085 CG LYS B 84 9.315 -4.829 -1.219 1.00 0.00 C ATOM 1086 CD LYS B 84 10.596 -4.099 -1.590 1.00 0.00 C ATOM 1087 CE LYS B 84 11.030 -4.423 -3.010 1.00 0.00 C ATOM 1088 NZ LYS B 84 10.828 -3.269 -3.929 1.00 0.00 N ATOM 0 H LYS B 84 10.656 -6.507 1.246 1.00 0.00 H new ATOM 0 HA LYS B 84 7.996 -6.167 0.516 1.00 0.00 H new ATOM 0 HB2 LYS B 84 10.636 -6.463 -0.811 1.00 0.00 H new ATOM 0 HB3 LYS B 84 9.267 -6.882 -1.823 1.00 0.00 H new ATOM 0 HG2 LYS B 84 8.590 -4.726 -2.027 1.00 0.00 H new ATOM 0 HG3 LYS B 84 8.875 -4.366 -0.335 1.00 0.00 H new ATOM 0 HD2 LYS B 84 10.445 -3.024 -1.491 1.00 0.00 H new ATOM 0 HD3 LYS B 84 11.388 -4.375 -0.894 1.00 0.00 H new ATOM 0 HE2 LYS B 84 12.082 -4.709 -3.012 1.00 0.00 H new ATOM 0 HE3 LYS B 84 10.466 -5.281 -3.375 1.00 0.00 H new ATOM 0 HZ1 LYS B 84 11.519 -3.318 -4.705 1.00 0.00 H new ATOM 0 HZ2 LYS B 84 9.865 -3.301 -4.320 1.00 0.00 H new ATOM 0 HZ3 LYS B 84 10.959 -2.381 -3.405 1.00 0.00 H new ATOM 1102 N PRO B 85 7.106 -8.294 -0.737 1.00 0.00 N ATOM 1103 CA PRO B 85 6.466 -9.570 -1.077 1.00 0.00 C ATOM 1104 C PRO B 85 7.451 -10.583 -1.648 1.00 0.00 C ATOM 1105 O PRO B 85 7.818 -10.515 -2.821 1.00 0.00 O ATOM 1106 CB PRO B 85 5.434 -9.177 -2.132 1.00 0.00 C ATOM 1107 CG PRO B 85 5.090 -7.765 -1.814 1.00 0.00 C ATOM 1108 CD PRO B 85 6.347 -7.142 -1.271 1.00 0.00 C ATOM 0 HA PRO B 85 6.038 -10.056 -0.200 1.00 0.00 H new ATOM 0 HB2 PRO B 85 5.842 -9.268 -3.139 1.00 0.00 H new ATOM 0 HB3 PRO B 85 4.555 -9.819 -2.085 1.00 0.00 H new ATOM 0 HG2 PRO B 85 4.747 -7.238 -2.704 1.00 0.00 H new ATOM 0 HG3 PRO B 85 4.283 -7.716 -1.083 1.00 0.00 H new ATOM 0 HD2 PRO B 85 6.905 -6.621 -2.049 1.00 0.00 H new ATOM 0 HD3 PRO B 85 6.128 -6.411 -0.493 1.00 0.00 H new ATOM 1116 N ALA B 86 7.875 -11.522 -0.808 1.00 0.00 N ATOM 1117 CA ALA B 86 8.818 -12.553 -1.225 1.00 0.00 C ATOM 1118 C ALA B 86 8.360 -13.934 -0.769 1.00 0.00 C ATOM 1119 O ALA B 86 8.796 -14.375 0.317 1.00 0.00 O ATOM 1120 CB ALA B 86 10.207 -12.246 -0.685 1.00 0.00 C ATOM 1121 OXT ALA B 86 7.568 -14.565 -1.501 1.00 0.00 O ATOM 0 H ALA B 86 7.580 -11.590 0.166 1.00 0.00 H new ATOM 0 HA ALA B 86 8.858 -12.557 -2.314 1.00 0.00 H new ATOM 0 HB1 ALA B 86 10.901 -13.024 -1.004 1.00 0.00 H new ATOM 0 HB2 ALA B 86 10.541 -11.282 -1.068 1.00 0.00 H new ATOM 0 HB3 ALA B 86 10.175 -12.212 0.404 1.00 0.00 H new TER 1127 ALA B 86