USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 434 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 1 GLY N :NH3+ -165:sc= 0.0225 (180deg=0.00527) USER MOD Single : A 4 LYS NZ :NH3+ 166:sc=-0.00287 (180deg=-0.11) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.794 USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -4.75! C(o=-4.8!,f=-4.3!) USER MOD Single : A 22 ASN : amide:sc= -0.622 X(o=-0.62,f=-0.26) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= -0.841 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -158:sc= -0.0353 (180deg=-0.639) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.194 K(o=-0.19,f=-1.2) USER MOD Single : A 45 TYR OH : rot 60:sc= -0.0555 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.371 K(o=-0.37,f=-1.2) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.244 9.887 0.342 1.00 21.13 N ATOM 2 CA GLY A 1 -3.159 9.416 -0.499 1.00 52.11 C ATOM 3 C GLY A 1 -3.359 9.775 -1.958 1.00 54.31 C ATOM 4 O GLY A 1 -4.046 9.063 -2.690 1.00 50.30 O ATOM 0 H1 GLY A 1 -3.952 9.849 1.339 1.00 21.13 H new ATOM 0 H2 GLY A 1 -4.480 10.868 0.088 1.00 21.13 H new ATOM 0 H3 GLY A 1 -5.079 9.283 0.202 1.00 21.13 H new ATOM 0 HA2 GLY A 1 -2.220 9.843 -0.148 1.00 52.11 H new ATOM 0 HA3 GLY A 1 -3.072 8.334 -0.403 1.00 52.11 H new ATOM 8 N GLU A 2 -2.759 10.884 -2.381 1.00 34.31 N ATOM 9 CA GLU A 2 -2.878 11.337 -3.762 1.00 31.41 C ATOM 10 C GLU A 2 -1.802 10.701 -4.637 1.00 60.13 C ATOM 11 O GLU A 2 -0.626 11.054 -4.548 1.00 2.30 O ATOM 12 CB GLU A 2 -2.774 12.861 -3.833 1.00 3.53 C ATOM 13 CG GLU A 2 -3.947 13.582 -3.191 1.00 54.43 C ATOM 14 CD GLU A 2 -3.797 13.720 -1.689 1.00 10.03 C ATOM 15 OE1 GLU A 2 -3.044 14.612 -1.246 1.00 41.35 O ATOM 16 OE2 GLU A 2 -4.433 12.935 -0.955 1.00 75.31 O ATOM 0 H GLU A 2 -2.186 11.484 -1.788 1.00 34.31 H new ATOM 0 HA GLU A 2 -3.855 11.030 -4.136 1.00 31.41 H new ATOM 0 HB2 GLU A 2 -1.853 13.177 -3.344 1.00 3.53 H new ATOM 0 HB3 GLU A 2 -2.700 13.163 -4.878 1.00 3.53 H new ATOM 0 HG2 GLU A 2 -4.046 14.573 -3.635 1.00 54.43 H new ATOM 0 HG3 GLU A 2 -4.867 13.040 -3.412 1.00 54.43 H new ATOM 23 N ILE A 3 -2.214 9.761 -5.482 1.00 44.50 N ATOM 24 CA ILE A 3 -1.286 9.077 -6.374 1.00 23.13 C ATOM 25 C ILE A 3 -1.342 9.662 -7.781 1.00 13.34 C ATOM 26 O ILE A 3 -2.311 9.457 -8.512 1.00 61.44 O ATOM 27 CB ILE A 3 -1.584 7.568 -6.445 1.00 64.44 C ATOM 28 CG1 ILE A 3 -1.732 6.988 -5.037 1.00 75.43 C ATOM 29 CG2 ILE A 3 -0.482 6.846 -7.208 1.00 34.03 C ATOM 30 CD1 ILE A 3 -0.518 7.206 -4.162 1.00 51.03 C ATOM 0 H ILE A 3 -3.184 9.456 -5.567 1.00 44.50 H new ATOM 0 HA ILE A 3 -0.287 9.223 -5.963 1.00 23.13 H new ATOM 0 HB ILE A 3 -2.524 7.423 -6.978 1.00 64.44 H new ATOM 0 HG12 ILE A 3 -2.601 7.438 -4.557 1.00 75.43 H new ATOM 0 HG13 ILE A 3 -1.928 5.918 -5.112 1.00 75.43 H new ATOM 0 HG21 ILE A 3 -0.707 5.780 -7.250 1.00 34.03 H new ATOM 0 HG22 ILE A 3 -0.420 7.244 -8.221 1.00 34.03 H new ATOM 0 HG23 ILE A 3 0.471 6.996 -6.700 1.00 34.03 H new ATOM 0 HD11 ILE A 3 -0.695 6.769 -3.179 1.00 51.03 H new ATOM 0 HD12 ILE A 3 0.350 6.732 -4.620 1.00 51.03 H new ATOM 0 HD13 ILE A 3 -0.333 8.275 -4.056 1.00 51.03 H new ATOM 42 N LYS A 4 -0.297 10.392 -8.154 1.00 64.25 N ATOM 43 CA LYS A 4 -0.224 11.005 -9.475 1.00 50.32 C ATOM 44 C LYS A 4 0.926 10.417 -10.286 1.00 3.00 C ATOM 45 O LYS A 4 2.073 10.411 -9.841 1.00 1.43 O ATOM 46 CB LYS A 4 -0.049 12.520 -9.347 1.00 55.35 C ATOM 47 CG LYS A 4 -0.014 13.243 -10.683 1.00 14.32 C ATOM 48 CD LYS A 4 -1.398 13.714 -11.099 1.00 30.32 C ATOM 49 CE LYS A 4 -1.792 14.993 -10.377 1.00 11.21 C ATOM 50 NZ LYS A 4 -1.051 16.175 -10.898 1.00 70.04 N ATOM 0 H LYS A 4 0.512 10.574 -7.560 1.00 64.25 H new ATOM 0 HA LYS A 4 -1.157 10.795 -9.997 1.00 50.32 H new ATOM 0 HB2 LYS A 4 -0.865 12.922 -8.747 1.00 55.35 H new ATOM 0 HB3 LYS A 4 0.875 12.726 -8.807 1.00 55.35 H new ATOM 0 HG2 LYS A 4 0.658 14.099 -10.617 1.00 14.32 H new ATOM 0 HG3 LYS A 4 0.390 12.579 -11.447 1.00 14.32 H new ATOM 0 HD2 LYS A 4 -1.418 13.882 -12.176 1.00 30.32 H new ATOM 0 HD3 LYS A 4 -2.129 12.934 -10.885 1.00 30.32 H new ATOM 0 HE2 LYS A 4 -2.864 15.158 -10.489 1.00 11.21 H new ATOM 0 HE3 LYS A 4 -1.596 14.883 -9.310 1.00 11.21 H new ATOM 0 HZ1 LYS A 4 -1.505 17.047 -10.559 1.00 70.04 H new ATOM 0 HZ2 LYS A 4 -0.067 16.144 -10.562 1.00 70.04 H new ATOM 0 HZ3 LYS A 4 -1.062 16.161 -11.938 1.00 70.04 H new ATOM 64 N GLY A 5 0.612 9.924 -11.480 1.00 35.41 N ATOM 65 CA GLY A 5 1.630 9.341 -12.334 1.00 1.31 C ATOM 66 C GLY A 5 1.117 8.150 -13.118 1.00 63.05 C ATOM 67 O GLY A 5 1.606 7.032 -12.953 1.00 10.22 O ATOM 0 H GLY A 5 -0.330 9.918 -11.871 1.00 35.41 H new ATOM 0 HA2 GLY A 5 1.995 10.098 -13.028 1.00 1.31 H new ATOM 0 HA3 GLY A 5 2.479 9.032 -11.724 1.00 1.31 H new ATOM 71 N ARG A 6 0.129 8.388 -13.974 1.00 54.11 N ATOM 72 CA ARG A 6 -0.453 7.325 -14.785 1.00 2.01 C ATOM 73 C ARG A 6 0.395 7.062 -16.026 1.00 25.24 C ATOM 74 O ARG A 6 0.369 5.967 -16.589 1.00 11.32 O ATOM 75 CB ARG A 6 -1.879 7.692 -15.198 1.00 35.43 C ATOM 76 CG ARG A 6 -2.748 8.156 -14.040 1.00 72.01 C ATOM 77 CD ARG A 6 -2.862 7.087 -12.965 1.00 22.40 C ATOM 78 NE ARG A 6 -4.211 7.009 -12.410 1.00 44.24 N ATOM 79 CZ ARG A 6 -5.255 6.536 -13.081 1.00 51.32 C ATOM 80 NH1 ARG A 6 -5.106 6.101 -14.325 1.00 35.34 N ATOM 81 NH2 ARG A 6 -6.451 6.498 -12.508 1.00 52.11 N ATOM 0 H ARG A 6 -0.286 9.308 -14.124 1.00 54.11 H new ATOM 0 HA ARG A 6 -0.479 6.416 -14.184 1.00 2.01 H new ATOM 0 HB2 ARG A 6 -1.839 8.480 -15.950 1.00 35.43 H new ATOM 0 HB3 ARG A 6 -2.346 6.827 -15.668 1.00 35.43 H new ATOM 0 HG2 ARG A 6 -2.326 9.064 -13.608 1.00 72.01 H new ATOM 0 HG3 ARG A 6 -3.742 8.410 -14.409 1.00 72.01 H new ATOM 0 HD2 ARG A 6 -2.587 6.120 -13.385 1.00 22.40 H new ATOM 0 HD3 ARG A 6 -2.153 7.300 -12.165 1.00 22.40 H new ATOM 0 HE ARG A 6 -4.359 7.336 -11.455 1.00 44.24 H new ATOM 0 HH11 ARG A 6 -4.188 6.129 -14.769 1.00 35.34 H new ATOM 0 HH12 ARG A 6 -5.909 5.738 -14.838 1.00 35.34 H new ATOM 0 HH21 ARG A 6 -6.569 6.832 -11.552 1.00 52.11 H new ATOM 0 HH22 ARG A 6 -7.252 6.135 -13.024 1.00 52.11 H new ATOM 95 N LYS A 7 1.147 8.073 -16.447 1.00 64.12 N ATOM 96 CA LYS A 7 2.005 7.952 -17.621 1.00 14.35 C ATOM 97 C LYS A 7 2.904 6.725 -17.513 1.00 43.23 C ATOM 98 O LYS A 7 3.692 6.599 -16.575 1.00 11.42 O ATOM 99 CB LYS A 7 2.859 9.211 -17.785 1.00 51.31 C ATOM 100 CG LYS A 7 2.113 10.374 -18.417 1.00 22.01 C ATOM 101 CD LYS A 7 1.832 10.122 -19.889 1.00 5.51 C ATOM 102 CE LYS A 7 0.581 10.853 -20.350 1.00 74.13 C ATOM 103 NZ LYS A 7 0.885 12.232 -20.822 1.00 64.04 N ATOM 0 H LYS A 7 1.180 8.986 -15.993 1.00 64.12 H new ATOM 0 HA LYS A 7 1.367 7.837 -18.497 1.00 14.35 H new ATOM 0 HB2 LYS A 7 3.231 9.517 -16.807 1.00 51.31 H new ATOM 0 HB3 LYS A 7 3.729 8.973 -18.397 1.00 51.31 H new ATOM 0 HG2 LYS A 7 1.173 10.535 -17.889 1.00 22.01 H new ATOM 0 HG3 LYS A 7 2.700 11.286 -18.309 1.00 22.01 H new ATOM 0 HD2 LYS A 7 2.685 10.447 -20.484 1.00 5.51 H new ATOM 0 HD3 LYS A 7 1.713 9.052 -20.060 1.00 5.51 H new ATOM 0 HE2 LYS A 7 0.108 10.290 -21.155 1.00 74.13 H new ATOM 0 HE3 LYS A 7 -0.135 10.900 -19.530 1.00 74.13 H new ATOM 0 HZ1 LYS A 7 0.006 12.696 -21.127 1.00 64.04 H new ATOM 0 HZ2 LYS A 7 1.313 12.778 -20.047 1.00 64.04 H new ATOM 0 HZ3 LYS A 7 1.548 12.187 -21.622 1.00 64.04 H new ATOM 117 N THR A 8 2.784 5.822 -18.481 1.00 74.13 N ATOM 118 CA THR A 8 3.586 4.605 -18.496 1.00 12.24 C ATOM 119 C THR A 8 4.779 4.745 -19.434 1.00 21.42 C ATOM 120 O THR A 8 4.908 5.740 -20.147 1.00 43.51 O ATOM 121 CB THR A 8 2.749 3.386 -18.926 1.00 31.45 C ATOM 122 OG1 THR A 8 1.698 3.798 -19.806 1.00 51.41 O ATOM 123 CG2 THR A 8 2.156 2.682 -17.714 1.00 54.31 C ATOM 0 H THR A 8 2.138 5.911 -19.266 1.00 74.13 H new ATOM 0 HA THR A 8 3.944 4.449 -17.478 1.00 12.24 H new ATOM 0 HB THR A 8 3.405 2.689 -19.447 1.00 31.45 H new ATOM 0 HG1 THR A 8 1.172 3.016 -20.076 1.00 51.41 H new ATOM 0 HG21 THR A 8 1.569 1.824 -18.043 1.00 54.31 H new ATOM 0 HG22 THR A 8 2.960 2.343 -17.061 1.00 54.31 H new ATOM 0 HG23 THR A 8 1.514 3.374 -17.169 1.00 54.31 H new ATOM 131 N LEU A 9 5.649 3.741 -19.430 1.00 23.24 N ATOM 132 CA LEU A 9 6.833 3.751 -20.282 1.00 3.02 C ATOM 133 C LEU A 9 6.894 2.495 -21.145 1.00 20.45 C ATOM 134 O LEU A 9 7.576 1.529 -20.804 1.00 62.53 O ATOM 135 CB LEU A 9 8.099 3.860 -19.429 1.00 74.32 C ATOM 136 CG LEU A 9 8.605 5.277 -19.157 1.00 62.44 C ATOM 137 CD1 LEU A 9 8.881 6.005 -20.464 1.00 21.42 C ATOM 138 CD2 LEU A 9 7.600 6.050 -18.316 1.00 25.13 C ATOM 0 H LEU A 9 5.557 2.910 -18.846 1.00 23.24 H new ATOM 0 HA LEU A 9 6.770 4.618 -20.939 1.00 3.02 H new ATOM 0 HB2 LEU A 9 7.911 3.373 -18.472 1.00 74.32 H new ATOM 0 HB3 LEU A 9 8.894 3.300 -19.921 1.00 74.32 H new ATOM 0 HG LEU A 9 9.539 5.208 -18.599 1.00 62.44 H new ATOM 0 HD11 LEU A 9 9.240 7.012 -20.251 1.00 21.42 H new ATOM 0 HD12 LEU A 9 9.638 5.462 -21.030 1.00 21.42 H new ATOM 0 HD13 LEU A 9 7.963 6.064 -21.049 1.00 21.42 H new ATOM 0 HD21 LEU A 9 7.977 7.056 -18.132 1.00 25.13 H new ATOM 0 HD22 LEU A 9 6.650 6.110 -18.848 1.00 25.13 H new ATOM 0 HD23 LEU A 9 7.452 5.539 -17.365 1.00 25.13 H new ATOM 150 N ALA A 10 6.178 2.516 -22.264 1.00 14.33 N ATOM 151 CA ALA A 10 6.153 1.381 -23.177 1.00 65.24 C ATOM 152 C ALA A 10 5.380 1.715 -24.448 1.00 42.44 C ATOM 153 O ALA A 10 4.380 2.433 -24.409 1.00 71.40 O ATOM 154 CB ALA A 10 5.547 0.165 -22.493 1.00 14.24 C ATOM 0 H ALA A 10 5.607 3.308 -22.560 1.00 14.33 H new ATOM 0 HA ALA A 10 7.181 1.151 -23.458 1.00 65.24 H new ATOM 0 HB1 ALA A 10 5.535 -0.675 -23.188 1.00 14.24 H new ATOM 0 HB2 ALA A 10 6.143 -0.096 -21.619 1.00 14.24 H new ATOM 0 HB3 ALA A 10 4.528 0.393 -22.182 1.00 14.24 H new ATOM 160 N THR A 11 5.850 1.192 -25.577 1.00 30.14 N ATOM 161 CA THR A 11 5.204 1.437 -26.860 1.00 31.52 C ATOM 162 C THR A 11 3.724 1.074 -26.808 1.00 41.13 C ATOM 163 O THR A 11 3.273 0.326 -25.941 1.00 24.32 O ATOM 164 CB THR A 11 5.878 0.636 -27.990 1.00 32.41 C ATOM 165 OG1 THR A 11 6.599 -0.473 -27.442 1.00 31.43 O ATOM 166 CG2 THR A 11 6.825 1.518 -28.788 1.00 44.41 C ATOM 0 H THR A 11 6.676 0.596 -25.628 1.00 30.14 H new ATOM 0 HA THR A 11 5.307 2.502 -27.068 1.00 31.52 H new ATOM 0 HB THR A 11 5.100 0.268 -28.658 1.00 32.41 H new ATOM 0 HG1 THR A 11 7.023 -0.978 -28.167 1.00 31.43 H new ATOM 0 HG21 THR A 11 7.289 0.930 -29.580 1.00 44.41 H new ATOM 0 HG22 THR A 11 6.268 2.345 -29.228 1.00 44.41 H new ATOM 0 HG23 THR A 11 7.598 1.912 -28.128 1.00 44.41 H new ATOM 174 N PRO A 12 2.948 1.615 -27.759 1.00 0.40 N ATOM 175 CA PRO A 12 1.507 1.362 -27.844 1.00 33.33 C ATOM 176 C PRO A 12 1.194 -0.070 -28.266 1.00 11.23 C ATOM 177 O PRO A 12 0.062 -0.534 -28.130 1.00 2.41 O ATOM 178 CB PRO A 12 1.035 2.350 -28.913 1.00 71.24 C ATOM 179 CG PRO A 12 2.239 2.601 -29.754 1.00 52.40 C ATOM 180 CD PRO A 12 3.418 2.516 -28.825 1.00 11.43 C ATOM 0 HA PRO A 12 1.014 1.489 -26.880 1.00 33.33 H new ATOM 0 HB2 PRO A 12 0.219 1.934 -29.504 1.00 71.24 H new ATOM 0 HB3 PRO A 12 0.666 3.272 -28.464 1.00 71.24 H new ATOM 0 HG2 PRO A 12 2.318 1.864 -30.553 1.00 52.40 H new ATOM 0 HG3 PRO A 12 2.186 3.581 -30.229 1.00 52.40 H new ATOM 0 HD2 PRO A 12 4.299 2.117 -29.329 1.00 11.43 H new ATOM 0 HD3 PRO A 12 3.691 3.495 -28.432 1.00 11.43 H new ATOM 188 N ALA A 13 2.204 -0.765 -28.778 1.00 22.14 N ATOM 189 CA ALA A 13 2.037 -2.145 -29.217 1.00 40.20 C ATOM 190 C ALA A 13 2.190 -3.115 -28.050 1.00 53.24 C ATOM 191 O ALA A 13 1.612 -4.202 -28.054 1.00 13.21 O ATOM 192 CB ALA A 13 3.038 -2.474 -30.314 1.00 62.24 C ATOM 0 H ALA A 13 3.147 -0.395 -28.899 1.00 22.14 H new ATOM 0 HA ALA A 13 1.028 -2.254 -29.616 1.00 40.20 H new ATOM 0 HB1 ALA A 13 2.902 -3.508 -30.632 1.00 62.24 H new ATOM 0 HB2 ALA A 13 2.879 -1.809 -31.163 1.00 62.24 H new ATOM 0 HB3 ALA A 13 4.051 -2.342 -29.934 1.00 62.24 H new ATOM 198 N VAL A 14 2.972 -2.715 -27.053 1.00 23.20 N ATOM 199 CA VAL A 14 3.201 -3.549 -25.879 1.00 73.31 C ATOM 200 C VAL A 14 2.065 -3.405 -24.873 1.00 14.22 C ATOM 201 O VAL A 14 1.696 -4.364 -24.195 1.00 60.54 O ATOM 202 CB VAL A 14 4.531 -3.195 -25.189 1.00 43.20 C ATOM 203 CG1 VAL A 14 4.860 -4.213 -24.108 1.00 63.11 C ATOM 204 CG2 VAL A 14 5.655 -3.108 -26.211 1.00 74.22 C ATOM 0 H VAL A 14 3.458 -1.818 -27.035 1.00 23.20 H new ATOM 0 HA VAL A 14 3.245 -4.581 -26.228 1.00 73.31 H new ATOM 0 HB VAL A 14 4.425 -2.219 -24.715 1.00 43.20 H new ATOM 0 HG11 VAL A 14 5.803 -3.946 -23.632 1.00 63.11 H new ATOM 0 HG12 VAL A 14 4.066 -4.220 -23.361 1.00 63.11 H new ATOM 0 HG13 VAL A 14 4.947 -5.203 -24.555 1.00 63.11 H new ATOM 0 HG21 VAL A 14 6.588 -2.857 -25.706 1.00 74.22 H new ATOM 0 HG22 VAL A 14 5.763 -4.068 -26.716 1.00 74.22 H new ATOM 0 HG23 VAL A 14 5.421 -2.337 -26.945 1.00 74.22 H new ATOM 214 N ARG A 15 1.513 -2.199 -24.781 1.00 31.34 N ATOM 215 CA ARG A 15 0.419 -1.929 -23.856 1.00 55.42 C ATOM 216 C ARG A 15 -0.744 -2.889 -24.093 1.00 44.55 C ATOM 217 O ARG A 15 -1.265 -3.492 -23.155 1.00 42.24 O ATOM 218 CB ARG A 15 -0.060 -0.484 -24.008 1.00 54.45 C ATOM 219 CG ARG A 15 -0.789 0.049 -22.785 1.00 60.43 C ATOM 220 CD ARG A 15 -1.397 1.417 -23.051 1.00 21.03 C ATOM 221 NE ARG A 15 -1.502 2.215 -21.832 1.00 31.20 N ATOM 222 CZ ARG A 15 -2.154 3.370 -21.764 1.00 11.21 C ATOM 223 NH1 ARG A 15 -2.756 3.860 -22.839 1.00 70.20 N ATOM 224 NH2 ARG A 15 -2.205 4.038 -20.618 1.00 53.05 N ATOM 0 H ARG A 15 1.805 -1.394 -25.335 1.00 31.34 H new ATOM 0 HA ARG A 15 0.789 -2.078 -22.842 1.00 55.42 H new ATOM 0 HB2 ARG A 15 0.799 0.154 -24.215 1.00 54.45 H new ATOM 0 HB3 ARG A 15 -0.722 -0.419 -24.872 1.00 54.45 H new ATOM 0 HG2 ARG A 15 -1.574 -0.649 -22.495 1.00 60.43 H new ATOM 0 HG3 ARG A 15 -0.096 0.115 -21.947 1.00 60.43 H new ATOM 0 HD2 ARG A 15 -0.787 1.949 -23.781 1.00 21.03 H new ATOM 0 HD3 ARG A 15 -2.387 1.295 -23.491 1.00 21.03 H new ATOM 0 HE ARG A 15 -1.050 1.866 -20.987 1.00 31.20 H new ATOM 0 HH11 ARG A 15 -2.719 3.350 -23.721 1.00 70.20 H new ATOM 0 HH12 ARG A 15 -3.256 4.747 -22.784 1.00 70.20 H new ATOM 0 HH21 ARG A 15 -1.743 3.664 -19.789 1.00 53.05 H new ATOM 0 HH22 ARG A 15 -2.706 4.925 -20.567 1.00 53.05 H new ATOM 238 N ARG A 16 -1.145 -3.024 -25.353 1.00 64.13 N ATOM 239 CA ARG A 16 -2.246 -3.909 -25.714 1.00 1.05 C ATOM 240 C ARG A 16 -1.968 -5.337 -25.255 1.00 21.53 C ATOM 241 O ARG A 16 -2.893 -6.117 -25.022 1.00 64.45 O ATOM 242 CB ARG A 16 -2.475 -3.883 -27.226 1.00 32.22 C ATOM 243 CG ARG A 16 -3.498 -4.901 -27.704 1.00 44.02 C ATOM 244 CD ARG A 16 -2.830 -6.189 -28.160 1.00 31.10 C ATOM 245 NE ARG A 16 -2.520 -6.170 -29.587 1.00 11.30 N ATOM 246 CZ ARG A 16 -3.434 -6.318 -30.540 1.00 22.44 C ATOM 247 NH1 ARG A 16 -4.708 -6.496 -30.219 1.00 1.01 N ATOM 248 NH2 ARG A 16 -3.074 -6.289 -31.816 1.00 64.04 N ATOM 0 H ARG A 16 -0.724 -2.532 -26.141 1.00 64.13 H new ATOM 0 HA ARG A 16 -3.145 -3.553 -25.212 1.00 1.05 H new ATOM 0 HB2 ARG A 16 -2.803 -2.886 -27.518 1.00 32.22 H new ATOM 0 HB3 ARG A 16 -1.527 -4.068 -27.732 1.00 32.22 H new ATOM 0 HG2 ARG A 16 -4.200 -5.119 -26.899 1.00 44.02 H new ATOM 0 HG3 ARG A 16 -4.077 -4.479 -28.526 1.00 44.02 H new ATOM 0 HD2 ARG A 16 -1.912 -6.342 -27.592 1.00 31.10 H new ATOM 0 HD3 ARG A 16 -3.484 -7.033 -27.943 1.00 31.10 H new ATOM 0 HE ARG A 16 -1.549 -6.036 -29.867 1.00 11.30 H new ATOM 0 HH11 ARG A 16 -4.988 -6.520 -29.239 1.00 1.01 H new ATOM 0 HH12 ARG A 16 -5.408 -6.609 -30.952 1.00 1.01 H new ATOM 0 HH21 ARG A 16 -2.095 -6.153 -32.067 1.00 64.04 H new ATOM 0 HH22 ARG A 16 -3.776 -6.403 -32.547 1.00 64.04 H new ATOM 262 N LEU A 17 -0.689 -5.674 -25.127 1.00 12.23 N ATOM 263 CA LEU A 17 -0.289 -7.009 -24.696 1.00 43.10 C ATOM 264 C LEU A 17 -0.718 -7.268 -23.256 1.00 31.14 C ATOM 265 O LEU A 17 -1.488 -8.189 -22.983 1.00 45.00 O ATOM 266 CB LEU A 17 1.226 -7.175 -24.826 1.00 64.14 C ATOM 267 CG LEU A 17 1.718 -8.573 -25.201 1.00 63.54 C ATOM 268 CD1 LEU A 17 3.129 -8.510 -25.765 1.00 4.40 C ATOM 269 CD2 LEU A 17 1.665 -9.499 -23.995 1.00 4.14 C ATOM 0 H LEU A 17 0.088 -5.041 -25.316 1.00 12.23 H new ATOM 0 HA LEU A 17 -0.785 -7.736 -25.339 1.00 43.10 H new ATOM 0 HB2 LEU A 17 1.585 -6.472 -25.577 1.00 64.14 H new ATOM 0 HB3 LEU A 17 1.685 -6.892 -23.879 1.00 64.14 H new ATOM 0 HG LEU A 17 1.059 -8.974 -25.971 1.00 63.54 H new ATOM 0 HD11 LEU A 17 3.462 -9.515 -26.026 1.00 4.40 H new ATOM 0 HD12 LEU A 17 3.137 -7.882 -26.656 1.00 4.40 H new ATOM 0 HD13 LEU A 17 3.801 -8.088 -25.018 1.00 4.40 H new ATOM 0 HD21 LEU A 17 2.019 -10.490 -24.281 1.00 4.14 H new ATOM 0 HD22 LEU A 17 2.300 -9.102 -23.203 1.00 4.14 H new ATOM 0 HD23 LEU A 17 0.638 -9.570 -23.636 1.00 4.14 H new ATOM 281 N ALA A 18 -0.217 -6.448 -22.337 1.00 61.25 N ATOM 282 CA ALA A 18 -0.552 -6.586 -20.926 1.00 21.14 C ATOM 283 C ALA A 18 -2.062 -6.549 -20.714 1.00 24.45 C ATOM 284 O ALA A 18 -2.576 -7.113 -19.748 1.00 61.42 O ATOM 285 CB ALA A 18 0.124 -5.491 -20.113 1.00 71.25 C ATOM 0 H ALA A 18 0.422 -5.681 -22.546 1.00 61.25 H new ATOM 0 HA ALA A 18 -0.187 -7.555 -20.585 1.00 21.14 H new ATOM 0 HB1 ALA A 18 -0.135 -5.607 -19.061 1.00 71.25 H new ATOM 0 HB2 ALA A 18 1.205 -5.565 -20.231 1.00 71.25 H new ATOM 0 HB3 ALA A 18 -0.213 -4.516 -20.465 1.00 71.25 H new ATOM 291 N MET A 19 -2.766 -5.881 -21.621 1.00 61.43 N ATOM 292 CA MET A 19 -4.217 -5.772 -21.533 1.00 34.12 C ATOM 293 C MET A 19 -4.876 -7.140 -21.681 1.00 23.11 C ATOM 294 O MET A 19 -5.908 -7.411 -21.068 1.00 62.22 O ATOM 295 CB MET A 19 -4.745 -4.820 -22.608 1.00 70.21 C ATOM 296 CG MET A 19 -6.215 -4.472 -22.443 1.00 14.11 C ATOM 297 SD MET A 19 -6.493 -3.211 -21.184 1.00 53.13 S ATOM 298 CE MET A 19 -8.042 -2.508 -21.746 1.00 1.32 C ATOM 0 H MET A 19 -2.355 -5.407 -22.425 1.00 61.43 H new ATOM 0 HA MET A 19 -4.467 -5.373 -20.550 1.00 34.12 H new ATOM 0 HB2 MET A 19 -4.158 -3.902 -22.588 1.00 70.21 H new ATOM 0 HB3 MET A 19 -4.595 -5.273 -23.588 1.00 70.21 H new ATOM 0 HG2 MET A 19 -6.611 -4.122 -23.396 1.00 14.11 H new ATOM 0 HG3 MET A 19 -6.770 -5.372 -22.179 1.00 14.11 H new ATOM 0 HE1 MET A 19 -8.347 -1.711 -21.068 1.00 1.32 H new ATOM 0 HE2 MET A 19 -7.914 -2.102 -22.749 1.00 1.32 H new ATOM 0 HE3 MET A 19 -8.808 -3.283 -21.763 1.00 1.32 H new ATOM 308 N GLU A 20 -4.272 -7.997 -22.498 1.00 23.40 N ATOM 309 CA GLU A 20 -4.801 -9.337 -22.726 1.00 55.42 C ATOM 310 C GLU A 20 -4.787 -10.154 -21.438 1.00 22.41 C ATOM 311 O GLU A 20 -5.578 -11.081 -21.270 1.00 21.32 O ATOM 312 CB GLU A 20 -3.989 -10.053 -23.807 1.00 54.03 C ATOM 313 CG GLU A 20 -3.728 -9.200 -25.037 1.00 62.23 C ATOM 314 CD GLU A 20 -4.996 -8.600 -25.612 1.00 33.31 C ATOM 315 OE1 GLU A 20 -5.843 -9.369 -26.113 1.00 21.20 O ATOM 316 OE2 GLU A 20 -5.142 -7.361 -25.560 1.00 11.02 O ATOM 0 H GLU A 20 -3.417 -7.788 -23.013 1.00 23.40 H new ATOM 0 HA GLU A 20 -5.833 -9.240 -23.062 1.00 55.42 H new ATOM 0 HB2 GLU A 20 -3.035 -10.368 -23.384 1.00 54.03 H new ATOM 0 HB3 GLU A 20 -4.518 -10.957 -24.108 1.00 54.03 H new ATOM 0 HG2 GLU A 20 -3.036 -8.398 -24.778 1.00 62.23 H new ATOM 0 HG3 GLU A 20 -3.240 -9.808 -25.799 1.00 62.23 H new ATOM 323 N ASN A 21 -3.880 -9.804 -20.532 1.00 11.43 N ATOM 324 CA ASN A 21 -3.761 -10.505 -19.259 1.00 24.13 C ATOM 325 C ASN A 21 -4.278 -9.643 -18.112 1.00 1.55 C ATOM 326 O ASN A 21 -4.370 -10.097 -16.972 1.00 71.43 O ATOM 327 CB ASN A 21 -2.303 -10.894 -19.002 1.00 34.51 C ATOM 328 CG ASN A 21 -1.787 -11.899 -20.014 1.00 25.04 C ATOM 329 OD1 ASN A 21 -1.566 -13.066 -19.689 1.00 72.03 O ATOM 330 ND2 ASN A 21 -1.590 -11.449 -21.247 1.00 52.52 N ATOM 0 H ASN A 21 -3.217 -9.039 -20.656 1.00 11.43 H new ATOM 0 HA ASN A 21 -4.368 -11.409 -19.313 1.00 24.13 H new ATOM 0 HB2 ASN A 21 -1.680 -10.000 -19.032 1.00 34.51 H new ATOM 0 HB3 ASN A 21 -2.212 -11.312 -18.000 1.00 34.51 H new ATOM 0 HD21 ASN A 21 -1.242 -12.079 -21.970 1.00 52.52 H new ATOM 0 HD22 ASN A 21 -1.787 -10.474 -21.471 1.00 52.52 H new ATOM 337 N ASN A 22 -4.615 -8.395 -18.422 1.00 3.21 N ATOM 338 CA ASN A 22 -5.123 -7.468 -17.417 1.00 51.01 C ATOM 339 C ASN A 22 -4.070 -7.193 -16.348 1.00 43.03 C ATOM 340 O ASN A 22 -4.360 -7.229 -15.152 1.00 74.43 O ATOM 341 CB ASN A 22 -6.389 -8.031 -16.768 1.00 53.43 C ATOM 342 CG ASN A 22 -7.116 -6.998 -15.928 1.00 21.53 C ATOM 343 OD1 ASN A 22 -7.457 -7.251 -14.772 1.00 64.20 O ATOM 344 ND2 ASN A 22 -7.357 -5.828 -16.506 1.00 43.24 N ATOM 0 H ASN A 22 -4.545 -8.003 -19.361 1.00 3.21 H new ATOM 0 HA ASN A 22 -5.364 -6.529 -17.914 1.00 51.01 H new ATOM 0 HB2 ASN A 22 -7.059 -8.401 -17.545 1.00 53.43 H new ATOM 0 HB3 ASN A 22 -6.125 -8.884 -16.142 1.00 53.43 H new ATOM 0 HD21 ASN A 22 -7.843 -5.095 -15.990 1.00 43.24 H new ATOM 0 HD22 ASN A 22 -7.056 -5.662 -17.466 1.00 43.24 H new ATOM 351 N ILE A 23 -2.846 -6.918 -16.788 1.00 55.50 N ATOM 352 CA ILE A 23 -1.751 -6.635 -15.869 1.00 43.44 C ATOM 353 C ILE A 23 -1.247 -5.205 -16.039 1.00 24.45 C ATOM 354 O ILE A 23 -0.734 -4.837 -17.095 1.00 45.13 O ATOM 355 CB ILE A 23 -0.576 -7.609 -16.077 1.00 33.21 C ATOM 356 CG1 ILE A 23 -1.024 -9.047 -15.804 1.00 43.32 C ATOM 357 CG2 ILE A 23 0.590 -7.232 -15.176 1.00 44.13 C ATOM 358 CD1 ILE A 23 0.027 -10.081 -16.144 1.00 35.14 C ATOM 0 H ILE A 23 -2.589 -6.885 -17.774 1.00 55.50 H new ATOM 0 HA ILE A 23 -2.144 -6.762 -14.860 1.00 43.44 H new ATOM 0 HB ILE A 23 -0.245 -7.541 -17.113 1.00 33.21 H new ATOM 0 HG12 ILE A 23 -1.289 -9.143 -14.751 1.00 43.32 H new ATOM 0 HG13 ILE A 23 -1.926 -9.254 -16.380 1.00 43.32 H new ATOM 0 HG21 ILE A 23 1.413 -7.929 -15.334 1.00 44.13 H new ATOM 0 HG22 ILE A 23 0.921 -6.221 -15.413 1.00 44.13 H new ATOM 0 HG23 ILE A 23 0.273 -7.275 -14.134 1.00 44.13 H new ATOM 0 HD11 ILE A 23 -0.358 -11.077 -15.926 1.00 35.14 H new ATOM 0 HD12 ILE A 23 0.276 -10.012 -17.203 1.00 35.14 H new ATOM 0 HD13 ILE A 23 0.922 -9.900 -15.549 1.00 35.14 H new ATOM 370 N LYS A 24 -1.395 -4.404 -14.989 1.00 44.33 N ATOM 371 CA LYS A 24 -0.952 -3.015 -15.019 1.00 0.23 C ATOM 372 C LYS A 24 0.558 -2.929 -15.216 1.00 22.05 C ATOM 373 O LYS A 24 1.306 -3.787 -14.745 1.00 33.35 O ATOM 374 CB LYS A 24 -1.349 -2.304 -13.723 1.00 12.10 C ATOM 375 CG LYS A 24 -0.834 -2.991 -12.470 1.00 14.31 C ATOM 376 CD LYS A 24 -1.650 -2.604 -11.247 1.00 64.22 C ATOM 377 CE LYS A 24 -0.785 -2.541 -9.998 1.00 25.23 C ATOM 378 NZ LYS A 24 -1.594 -2.285 -8.775 1.00 15.52 N ATOM 0 H LYS A 24 -1.818 -4.693 -14.107 1.00 44.33 H new ATOM 0 HA LYS A 24 -1.439 -2.523 -15.861 1.00 0.23 H new ATOM 0 HB2 LYS A 24 -0.971 -1.282 -13.749 1.00 12.10 H new ATOM 0 HB3 LYS A 24 -2.436 -2.240 -13.672 1.00 12.10 H new ATOM 0 HG2 LYS A 24 -0.870 -4.072 -12.606 1.00 14.31 H new ATOM 0 HG3 LYS A 24 0.211 -2.724 -12.311 1.00 14.31 H new ATOM 0 HD2 LYS A 24 -2.121 -1.635 -11.414 1.00 64.22 H new ATOM 0 HD3 LYS A 24 -2.452 -3.327 -11.099 1.00 64.22 H new ATOM 0 HE2 LYS A 24 -0.242 -3.479 -9.884 1.00 25.23 H new ATOM 0 HE3 LYS A 24 -0.040 -1.754 -10.112 1.00 25.23 H new ATOM 0 HZ1 LYS A 24 -0.968 -2.249 -7.946 1.00 15.52 H new ATOM 0 HZ2 LYS A 24 -2.092 -1.377 -8.872 1.00 15.52 H new ATOM 0 HZ3 LYS A 24 -2.288 -3.049 -8.652 1.00 15.52 H new ATOM 392 N LEU A 25 1.001 -1.888 -15.912 1.00 61.44 N ATOM 393 CA LEU A 25 2.423 -1.690 -16.170 1.00 42.41 C ATOM 394 C LEU A 25 3.203 -1.581 -14.864 1.00 24.22 C ATOM 395 O LEU A 25 4.414 -1.800 -14.833 1.00 4.35 O ATOM 396 CB LEU A 25 2.638 -0.430 -17.012 1.00 30.44 C ATOM 397 CG LEU A 25 2.503 -0.603 -18.525 1.00 32.22 C ATOM 398 CD1 LEU A 25 3.523 -1.606 -19.041 1.00 2.02 C ATOM 399 CD2 LEU A 25 1.091 -1.041 -18.888 1.00 24.23 C ATOM 0 H LEU A 25 0.396 -1.168 -16.308 1.00 61.44 H new ATOM 0 HA LEU A 25 2.791 -2.555 -16.721 1.00 42.41 H new ATOM 0 HB2 LEU A 25 1.923 0.326 -16.688 1.00 30.44 H new ATOM 0 HB3 LEU A 25 3.633 -0.040 -16.798 1.00 30.44 H new ATOM 0 HG LEU A 25 2.697 0.359 -19.000 1.00 32.22 H new ATOM 0 HD11 LEU A 25 3.412 -1.716 -20.120 1.00 2.02 H new ATOM 0 HD12 LEU A 25 4.529 -1.252 -18.814 1.00 2.02 H new ATOM 0 HD13 LEU A 25 3.361 -2.570 -18.559 1.00 2.02 H new ATOM 0 HD21 LEU A 25 1.013 -1.159 -19.969 1.00 24.23 H new ATOM 0 HD22 LEU A 25 0.869 -1.991 -18.402 1.00 24.23 H new ATOM 0 HD23 LEU A 25 0.379 -0.287 -18.553 1.00 24.23 H new ATOM 411 N SER A 26 2.501 -1.245 -13.787 1.00 13.50 N ATOM 412 CA SER A 26 3.128 -1.106 -12.478 1.00 14.23 C ATOM 413 C SER A 26 3.451 -2.473 -11.883 1.00 11.13 C ATOM 414 O SER A 26 4.381 -2.611 -11.089 1.00 31.31 O ATOM 415 CB SER A 26 2.212 -0.328 -11.530 1.00 61.23 C ATOM 416 OG SER A 26 0.850 -0.507 -11.877 1.00 13.14 O ATOM 0 H SER A 26 1.497 -1.064 -13.795 1.00 13.50 H new ATOM 0 HA SER A 26 4.060 -0.555 -12.605 1.00 14.23 H new ATOM 0 HB2 SER A 26 2.376 -0.661 -10.505 1.00 61.23 H new ATOM 0 HB3 SER A 26 2.463 0.732 -11.565 1.00 61.23 H new ATOM 0 HG SER A 26 0.285 -0.002 -11.256 1.00 13.14 H new ATOM 422 N GLU A 27 2.675 -3.480 -12.273 1.00 4.31 N ATOM 423 CA GLU A 27 2.879 -4.836 -11.777 1.00 55.04 C ATOM 424 C GLU A 27 4.036 -5.513 -12.505 1.00 61.53 C ATOM 425 O GLU A 27 4.888 -6.149 -11.884 1.00 72.21 O ATOM 426 CB GLU A 27 1.602 -5.662 -11.948 1.00 15.53 C ATOM 427 CG GLU A 27 1.372 -6.665 -10.830 1.00 62.33 C ATOM 428 CD GLU A 27 0.558 -7.863 -11.280 1.00 61.01 C ATOM 429 OE1 GLU A 27 0.677 -8.253 -12.460 1.00 45.12 O ATOM 430 OE2 GLU A 27 -0.198 -8.410 -10.451 1.00 34.53 O ATOM 0 H GLU A 27 1.901 -3.382 -12.930 1.00 4.31 H new ATOM 0 HA GLU A 27 3.125 -4.775 -10.717 1.00 55.04 H new ATOM 0 HB2 GLU A 27 0.747 -4.988 -12.001 1.00 15.53 H new ATOM 0 HB3 GLU A 27 1.648 -6.194 -12.898 1.00 15.53 H new ATOM 0 HG2 GLU A 27 2.335 -7.007 -10.450 1.00 62.33 H new ATOM 0 HG3 GLU A 27 0.860 -6.172 -10.004 1.00 62.33 H new ATOM 437 N VAL A 28 4.060 -5.373 -13.827 1.00 14.00 N ATOM 438 CA VAL A 28 5.112 -5.970 -14.641 1.00 32.24 C ATOM 439 C VAL A 28 6.469 -5.351 -14.325 1.00 32.21 C ATOM 440 O VAL A 28 6.561 -4.171 -13.986 1.00 24.40 O ATOM 441 CB VAL A 28 4.821 -5.804 -16.144 1.00 63.11 C ATOM 442 CG1 VAL A 28 4.917 -4.341 -16.548 1.00 12.30 C ATOM 443 CG2 VAL A 28 5.775 -6.656 -16.968 1.00 34.41 C ATOM 0 H VAL A 28 3.362 -4.851 -14.357 1.00 14.00 H new ATOM 0 HA VAL A 28 5.136 -7.032 -14.399 1.00 32.24 H new ATOM 0 HB VAL A 28 3.804 -6.144 -16.339 1.00 63.11 H new ATOM 0 HG11 VAL A 28 4.708 -4.243 -17.613 1.00 12.30 H new ATOM 0 HG12 VAL A 28 4.191 -3.759 -15.981 1.00 12.30 H new ATOM 0 HG13 VAL A 28 5.921 -3.971 -16.340 1.00 12.30 H new ATOM 0 HG21 VAL A 28 5.555 -6.527 -18.028 1.00 34.41 H new ATOM 0 HG22 VAL A 28 6.802 -6.348 -16.770 1.00 34.41 H new ATOM 0 HG23 VAL A 28 5.652 -7.705 -16.697 1.00 34.41 H new ATOM 453 N VAL A 29 7.521 -6.156 -14.439 1.00 50.40 N ATOM 454 CA VAL A 29 8.875 -5.687 -14.167 1.00 54.25 C ATOM 455 C VAL A 29 9.330 -4.684 -15.221 1.00 45.40 C ATOM 456 O VAL A 29 8.883 -4.724 -16.366 1.00 40.33 O ATOM 457 CB VAL A 29 9.875 -6.857 -14.122 1.00 1.14 C ATOM 458 CG1 VAL A 29 10.029 -7.482 -15.500 1.00 22.23 C ATOM 459 CG2 VAL A 29 11.220 -6.387 -13.587 1.00 34.10 C ATOM 0 H VAL A 29 7.462 -7.135 -14.718 1.00 50.40 H new ATOM 0 HA VAL A 29 8.853 -5.200 -13.192 1.00 54.25 H new ATOM 0 HB VAL A 29 9.486 -7.619 -13.446 1.00 1.14 H new ATOM 0 HG11 VAL A 29 10.740 -8.307 -15.448 1.00 22.23 H new ATOM 0 HG12 VAL A 29 9.063 -7.856 -15.840 1.00 22.23 H new ATOM 0 HG13 VAL A 29 10.395 -6.732 -16.201 1.00 22.23 H new ATOM 0 HG21 VAL A 29 11.915 -7.226 -13.562 1.00 34.10 H new ATOM 0 HG22 VAL A 29 11.617 -5.606 -14.236 1.00 34.10 H new ATOM 0 HG23 VAL A 29 11.093 -5.991 -12.579 1.00 34.10 H new ATOM 469 N GLY A 30 10.225 -3.783 -14.825 1.00 62.21 N ATOM 470 CA GLY A 30 10.728 -2.782 -15.747 1.00 52.34 C ATOM 471 C GLY A 30 11.356 -1.601 -15.035 1.00 3.33 C ATOM 472 O GLY A 30 11.259 -1.481 -13.813 1.00 44.35 O ATOM 0 H GLY A 30 10.610 -3.729 -13.882 1.00 62.21 H new ATOM 0 HA2 GLY A 30 11.466 -3.239 -16.407 1.00 52.34 H new ATOM 0 HA3 GLY A 30 9.911 -2.430 -16.377 1.00 52.34 H new ATOM 476 N SER A 31 12.004 -0.727 -15.799 1.00 1.14 N ATOM 477 CA SER A 31 12.656 0.448 -15.232 1.00 22.10 C ATOM 478 C SER A 31 11.767 1.680 -15.366 1.00 12.33 C ATOM 479 O SER A 31 11.980 2.689 -14.695 1.00 42.51 O ATOM 480 CB SER A 31 13.998 0.696 -15.924 1.00 21.14 C ATOM 481 OG SER A 31 14.984 1.105 -14.992 1.00 22.13 O ATOM 0 H SER A 31 12.091 -0.810 -16.812 1.00 1.14 H new ATOM 0 HA SER A 31 12.830 0.261 -14.172 1.00 22.10 H new ATOM 0 HB2 SER A 31 14.324 -0.214 -16.428 1.00 21.14 H new ATOM 0 HB3 SER A 31 13.879 1.461 -16.692 1.00 21.14 H new ATOM 0 HG SER A 31 15.833 1.255 -15.458 1.00 22.13 H new ATOM 487 N GLY A 32 10.767 1.590 -16.238 1.00 64.41 N ATOM 488 CA GLY A 32 9.860 2.703 -16.445 1.00 41.12 C ATOM 489 C GLY A 32 10.590 4.014 -16.657 1.00 44.32 C ATOM 490 O GLY A 32 10.084 5.080 -16.305 1.00 25.15 O ATOM 0 H GLY A 32 10.569 0.765 -16.805 1.00 64.41 H new ATOM 0 HA2 GLY A 32 9.229 2.498 -17.310 1.00 41.12 H new ATOM 0 HA3 GLY A 32 9.199 2.794 -15.583 1.00 41.12 H new ATOM 494 N LYS A 33 11.785 3.938 -17.234 1.00 20.22 N ATOM 495 CA LYS A 33 12.588 5.127 -17.493 1.00 12.14 C ATOM 496 C LYS A 33 12.224 5.747 -18.838 1.00 63.11 C ATOM 497 O LYS A 33 11.546 6.773 -18.897 1.00 24.14 O ATOM 498 CB LYS A 33 14.078 4.778 -17.466 1.00 35.31 C ATOM 499 CG LYS A 33 14.667 4.734 -16.067 1.00 2.32 C ATOM 500 CD LYS A 33 16.099 5.244 -16.049 1.00 34.31 C ATOM 501 CE LYS A 33 16.150 6.756 -15.892 1.00 22.31 C ATOM 502 NZ LYS A 33 16.234 7.447 -17.208 1.00 11.51 N ATOM 0 H LYS A 33 12.219 3.064 -17.531 1.00 20.22 H new ATOM 0 HA LYS A 33 12.378 5.854 -16.709 1.00 12.14 H new ATOM 0 HB2 LYS A 33 14.224 3.809 -17.943 1.00 35.31 H new ATOM 0 HB3 LYS A 33 14.625 5.511 -18.059 1.00 35.31 H new ATOM 0 HG2 LYS A 33 14.056 5.337 -15.395 1.00 2.32 H new ATOM 0 HG3 LYS A 33 14.639 3.711 -15.691 1.00 2.32 H new ATOM 0 HD2 LYS A 33 16.644 4.774 -15.230 1.00 34.31 H new ATOM 0 HD3 LYS A 33 16.601 4.956 -16.973 1.00 34.31 H new ATOM 0 HE2 LYS A 33 15.262 7.096 -15.359 1.00 22.31 H new ATOM 0 HE3 LYS A 33 17.011 7.029 -15.283 1.00 22.31 H new ATOM 0 HZ1 LYS A 33 16.633 8.398 -17.076 1.00 11.51 H new ATOM 0 HZ2 LYS A 33 16.846 6.901 -17.848 1.00 11.51 H new ATOM 0 HZ3 LYS A 33 15.283 7.525 -17.621 1.00 11.51 H new ATOM 516 N ASP A 34 12.678 5.117 -19.916 1.00 53.01 N ATOM 517 CA ASP A 34 12.398 5.605 -21.261 1.00 52.54 C ATOM 518 C ASP A 34 11.890 4.478 -22.154 1.00 60.43 C ATOM 519 O ASP A 34 12.433 4.232 -23.230 1.00 62.34 O ATOM 520 CB ASP A 34 13.653 6.230 -21.872 1.00 4.02 C ATOM 521 CG ASP A 34 13.898 7.641 -21.375 1.00 42.30 C ATOM 522 OD1 ASP A 34 12.961 8.241 -20.809 1.00 10.41 O ATOM 523 OD2 ASP A 34 15.027 8.146 -21.553 1.00 53.12 O ATOM 0 H ASP A 34 13.241 4.267 -19.884 1.00 53.01 H new ATOM 0 HA ASP A 34 11.621 6.366 -21.189 1.00 52.54 H new ATOM 0 HB2 ASP A 34 14.517 5.609 -21.635 1.00 4.02 H new ATOM 0 HB3 ASP A 34 13.558 6.242 -22.958 1.00 4.02 H new ATOM 528 N GLY A 35 10.844 3.794 -21.699 1.00 25.11 N ATOM 529 CA GLY A 35 10.282 2.699 -22.468 1.00 52.40 C ATOM 530 C GLY A 35 11.003 1.389 -22.224 1.00 72.51 C ATOM 531 O GLY A 35 11.091 0.545 -23.117 1.00 15.23 O ATOM 0 H GLY A 35 10.376 3.979 -20.812 1.00 25.11 H new ATOM 0 HA2 GLY A 35 9.229 2.583 -22.213 1.00 52.40 H new ATOM 0 HA3 GLY A 35 10.328 2.943 -23.529 1.00 52.40 H new ATOM 535 N ARG A 36 11.522 1.217 -21.013 1.00 33.03 N ATOM 536 CA ARG A 36 12.241 0.001 -20.655 1.00 65.41 C ATOM 537 C ARG A 36 11.301 -1.201 -20.635 1.00 25.33 C ATOM 538 O ARG A 36 11.715 -2.330 -20.903 1.00 41.40 O ATOM 539 CB ARG A 36 12.911 0.161 -19.289 1.00 14.42 C ATOM 540 CG ARG A 36 14.385 0.519 -19.371 1.00 45.43 C ATOM 541 CD ARG A 36 15.228 -0.680 -19.775 1.00 22.43 C ATOM 542 NE ARG A 36 15.461 -0.726 -21.216 1.00 30.23 N ATOM 543 CZ ARG A 36 16.225 0.145 -21.865 1.00 1.32 C ATOM 544 NH1 ARG A 36 16.827 1.125 -21.204 1.00 63.44 N ATOM 545 NH2 ARG A 36 16.388 0.038 -23.177 1.00 64.32 N ATOM 0 H ARG A 36 11.458 1.905 -20.263 1.00 33.03 H new ATOM 0 HA ARG A 36 13.008 -0.172 -21.410 1.00 65.41 H new ATOM 0 HB2 ARG A 36 12.389 0.935 -18.726 1.00 14.42 H new ATOM 0 HB3 ARG A 36 12.802 -0.768 -18.730 1.00 14.42 H new ATOM 0 HG2 ARG A 36 14.525 1.324 -20.093 1.00 45.43 H new ATOM 0 HG3 ARG A 36 14.724 0.894 -18.405 1.00 45.43 H new ATOM 0 HD2 ARG A 36 16.185 -0.642 -19.254 1.00 22.43 H new ATOM 0 HD3 ARG A 36 14.729 -1.596 -19.459 1.00 22.43 H new ATOM 0 HE ARG A 36 15.012 -1.468 -21.753 1.00 30.23 H new ATOM 0 HH11 ARG A 36 16.704 1.211 -20.195 1.00 63.44 H new ATOM 0 HH12 ARG A 36 17.413 1.793 -21.705 1.00 63.44 H new ATOM 0 HH21 ARG A 36 15.926 -0.714 -23.689 1.00 64.32 H new ATOM 0 HH22 ARG A 36 16.975 0.708 -23.674 1.00 64.32 H new ATOM 559 N ILE A 37 10.036 -0.951 -20.315 1.00 5.05 N ATOM 560 CA ILE A 37 9.039 -2.012 -20.260 1.00 34.02 C ATOM 561 C ILE A 37 8.615 -2.441 -21.660 1.00 53.35 C ATOM 562 O ILE A 37 7.651 -1.913 -22.218 1.00 63.42 O ATOM 563 CB ILE A 37 7.792 -1.572 -19.470 1.00 55.14 C ATOM 564 CG1 ILE A 37 8.201 -0.769 -18.234 1.00 51.20 C ATOM 565 CG2 ILE A 37 6.963 -2.783 -19.071 1.00 75.42 C ATOM 566 CD1 ILE A 37 7.045 -0.445 -17.314 1.00 11.02 C ATOM 0 H ILE A 37 9.678 -0.023 -20.090 1.00 5.05 H new ATOM 0 HA ILE A 37 9.504 -2.856 -19.749 1.00 34.02 H new ATOM 0 HB ILE A 37 7.182 -0.933 -20.109 1.00 55.14 H new ATOM 0 HG12 ILE A 37 8.951 -1.331 -17.678 1.00 51.20 H new ATOM 0 HG13 ILE A 37 8.672 0.161 -18.554 1.00 51.20 H new ATOM 0 HG21 ILE A 37 6.085 -2.456 -18.514 1.00 75.42 H new ATOM 0 HG22 ILE A 37 6.646 -3.318 -19.966 1.00 75.42 H new ATOM 0 HG23 ILE A 37 7.563 -3.445 -18.447 1.00 75.42 H new ATOM 0 HD11 ILE A 37 7.409 0.125 -16.459 1.00 11.02 H new ATOM 0 HD12 ILE A 37 6.304 0.144 -17.854 1.00 11.02 H new ATOM 0 HD13 ILE A 37 6.588 -1.371 -16.964 1.00 11.02 H new ATOM 578 N LEU A 38 9.339 -3.402 -22.223 1.00 51.45 N ATOM 579 CA LEU A 38 9.037 -3.904 -23.559 1.00 42.15 C ATOM 580 C LEU A 38 8.492 -5.327 -23.496 1.00 24.21 C ATOM 581 O LEU A 38 8.336 -5.896 -22.415 1.00 63.43 O ATOM 582 CB LEU A 38 10.290 -3.864 -24.436 1.00 3.02 C ATOM 583 CG LEU A 38 10.220 -2.959 -25.666 1.00 44.12 C ATOM 584 CD1 LEU A 38 11.075 -1.717 -25.465 1.00 20.22 C ATOM 585 CD2 LEU A 38 10.661 -3.716 -26.911 1.00 11.32 C ATOM 0 H LEU A 38 10.139 -3.849 -21.775 1.00 51.45 H new ATOM 0 HA LEU A 38 8.273 -3.261 -23.997 1.00 42.15 H new ATOM 0 HB2 LEU A 38 11.130 -3.542 -23.820 1.00 3.02 H new ATOM 0 HB3 LEU A 38 10.509 -4.879 -24.768 1.00 3.02 H new ATOM 0 HG LEU A 38 9.185 -2.645 -25.803 1.00 44.12 H new ATOM 0 HD11 LEU A 38 11.013 -1.085 -26.351 1.00 20.22 H new ATOM 0 HD12 LEU A 38 10.714 -1.163 -24.598 1.00 20.22 H new ATOM 0 HD13 LEU A 38 12.112 -2.011 -25.302 1.00 20.22 H new ATOM 0 HD21 LEU A 38 10.605 -3.056 -27.777 1.00 11.32 H new ATOM 0 HD22 LEU A 38 11.687 -4.060 -26.783 1.00 11.32 H new ATOM 0 HD23 LEU A 38 10.007 -4.574 -27.066 1.00 11.32 H new ATOM 597 N LYS A 39 8.206 -5.898 -24.661 1.00 64.30 N ATOM 598 CA LYS A 39 7.682 -7.257 -24.740 1.00 4.43 C ATOM 599 C LYS A 39 8.592 -8.234 -24.002 1.00 70.23 C ATOM 600 O LYS A 39 8.134 -9.255 -23.489 1.00 42.50 O ATOM 601 CB LYS A 39 7.535 -7.684 -26.202 1.00 32.44 C ATOM 602 CG LYS A 39 7.051 -9.114 -26.371 1.00 62.31 C ATOM 603 CD LYS A 39 6.440 -9.337 -27.744 1.00 63.33 C ATOM 604 CE LYS A 39 7.505 -9.649 -28.784 1.00 65.13 C ATOM 605 NZ LYS A 39 7.807 -11.106 -28.850 1.00 32.00 N ATOM 0 H LYS A 39 8.328 -5.441 -25.564 1.00 64.30 H new ATOM 0 HA LYS A 39 6.702 -7.271 -24.264 1.00 4.43 H new ATOM 0 HB2 LYS A 39 6.837 -7.011 -26.700 1.00 32.44 H new ATOM 0 HB3 LYS A 39 8.497 -7.573 -26.703 1.00 32.44 H new ATOM 0 HG2 LYS A 39 7.885 -9.801 -26.227 1.00 62.31 H new ATOM 0 HG3 LYS A 39 6.313 -9.343 -25.602 1.00 62.31 H new ATOM 0 HD2 LYS A 39 5.725 -10.158 -27.696 1.00 63.33 H new ATOM 0 HD3 LYS A 39 5.885 -8.448 -28.045 1.00 63.33 H new ATOM 0 HE2 LYS A 39 7.170 -9.303 -29.762 1.00 65.13 H new ATOM 0 HE3 LYS A 39 8.416 -9.100 -28.547 1.00 65.13 H new ATOM 0 HZ1 LYS A 39 8.537 -11.277 -29.570 1.00 32.00 H new ATOM 0 HZ2 LYS A 39 8.151 -11.431 -27.924 1.00 32.00 H new ATOM 0 HZ3 LYS A 39 6.944 -11.628 -29.102 1.00 32.00 H new ATOM 619 N GLU A 40 9.881 -7.914 -23.953 1.00 43.00 N ATOM 620 CA GLU A 40 10.854 -8.765 -23.277 1.00 53.13 C ATOM 621 C GLU A 40 10.570 -8.832 -21.779 1.00 50.04 C ATOM 622 O GLU A 40 10.817 -9.852 -21.135 1.00 54.32 O ATOM 623 CB GLU A 40 12.273 -8.245 -23.516 1.00 13.51 C ATOM 624 CG GLU A 40 12.498 -6.833 -23.001 1.00 51.20 C ATOM 625 CD GLU A 40 13.529 -6.073 -23.813 1.00 23.42 C ATOM 626 OE1 GLU A 40 13.351 -5.961 -25.044 1.00 22.25 O ATOM 627 OE2 GLU A 40 14.515 -5.591 -23.216 1.00 52.12 O ATOM 0 H GLU A 40 10.276 -7.072 -24.373 1.00 43.00 H new ATOM 0 HA GLU A 40 10.769 -9.770 -23.691 1.00 53.13 H new ATOM 0 HB2 GLU A 40 12.983 -8.916 -23.033 1.00 13.51 H new ATOM 0 HB3 GLU A 40 12.485 -8.271 -24.585 1.00 13.51 H new ATOM 0 HG2 GLU A 40 11.554 -6.289 -23.019 1.00 51.20 H new ATOM 0 HG3 GLU A 40 12.821 -6.877 -21.961 1.00 51.20 H new ATOM 634 N ASP A 41 10.051 -7.738 -21.232 1.00 70.52 N ATOM 635 CA ASP A 41 9.733 -7.672 -19.811 1.00 32.14 C ATOM 636 C ASP A 41 8.309 -8.153 -19.549 1.00 53.34 C ATOM 637 O ASP A 41 8.016 -8.712 -18.492 1.00 1.41 O ATOM 638 CB ASP A 41 9.905 -6.243 -19.294 1.00 12.21 C ATOM 639 CG ASP A 41 11.277 -5.677 -19.603 1.00 12.33 C ATOM 640 OD1 ASP A 41 12.216 -5.936 -18.821 1.00 32.10 O ATOM 641 OD2 ASP A 41 11.412 -4.975 -20.627 1.00 31.04 O ATOM 0 H ASP A 41 9.842 -6.885 -21.751 1.00 70.52 H new ATOM 0 HA ASP A 41 10.422 -8.328 -19.279 1.00 32.14 H new ATOM 0 HB2 ASP A 41 9.143 -5.604 -19.740 1.00 12.21 H new ATOM 0 HB3 ASP A 41 9.743 -6.228 -18.216 1.00 12.21 H new ATOM 646 N ILE A 42 7.428 -7.930 -20.519 1.00 34.32 N ATOM 647 CA ILE A 42 6.035 -8.341 -20.393 1.00 53.22 C ATOM 648 C ILE A 42 5.888 -9.849 -20.564 1.00 25.13 C ATOM 649 O ILE A 42 5.293 -10.525 -19.724 1.00 21.23 O ATOM 650 CB ILE A 42 5.143 -7.630 -21.428 1.00 13.31 C ATOM 651 CG1 ILE A 42 5.233 -6.112 -21.254 1.00 73.20 C ATOM 652 CG2 ILE A 42 3.701 -8.099 -21.296 1.00 45.23 C ATOM 653 CD1 ILE A 42 4.858 -5.640 -19.867 1.00 10.32 C ATOM 0 H ILE A 42 7.654 -7.468 -21.400 1.00 34.32 H new ATOM 0 HA ILE A 42 5.713 -8.058 -19.391 1.00 53.22 H new ATOM 0 HB ILE A 42 5.497 -7.884 -22.427 1.00 13.31 H new ATOM 0 HG12 ILE A 42 6.250 -5.788 -21.477 1.00 73.20 H new ATOM 0 HG13 ILE A 42 4.579 -5.632 -21.982 1.00 73.20 H new ATOM 0 HG21 ILE A 42 3.083 -7.588 -22.034 1.00 45.23 H new ATOM 0 HG22 ILE A 42 3.651 -9.175 -21.464 1.00 45.23 H new ATOM 0 HG23 ILE A 42 3.334 -7.871 -20.295 1.00 45.23 H new ATOM 0 HD11 ILE A 42 4.945 -4.555 -19.816 1.00 10.32 H new ATOM 0 HD12 ILE A 42 3.831 -5.933 -19.648 1.00 10.32 H new ATOM 0 HD13 ILE A 42 5.528 -6.092 -19.135 1.00 10.32 H new ATOM 665 N LEU A 43 6.437 -10.371 -21.655 1.00 72.22 N ATOM 666 CA LEU A 43 6.370 -11.801 -21.936 1.00 33.21 C ATOM 667 C LEU A 43 7.050 -12.605 -20.833 1.00 24.32 C ATOM 668 O LEU A 43 6.617 -13.706 -20.496 1.00 60.44 O ATOM 669 CB LEU A 43 7.024 -12.108 -23.284 1.00 44.51 C ATOM 670 CG LEU A 43 6.385 -13.231 -24.101 1.00 20.01 C ATOM 671 CD1 LEU A 43 5.099 -12.750 -24.755 1.00 32.35 C ATOM 672 CD2 LEU A 43 7.358 -13.748 -25.151 1.00 2.45 C ATOM 0 H LEU A 43 6.934 -9.826 -22.360 1.00 72.22 H new ATOM 0 HA LEU A 43 5.320 -12.089 -21.975 1.00 33.21 H new ATOM 0 HB2 LEU A 43 7.015 -11.199 -23.885 1.00 44.51 H new ATOM 0 HB3 LEU A 43 8.069 -12.363 -23.108 1.00 44.51 H new ATOM 0 HG LEU A 43 6.141 -14.051 -23.426 1.00 20.01 H new ATOM 0 HD11 LEU A 43 4.658 -13.563 -25.332 1.00 32.35 H new ATOM 0 HD12 LEU A 43 4.397 -12.430 -23.985 1.00 32.35 H new ATOM 0 HD13 LEU A 43 5.319 -11.912 -25.417 1.00 32.35 H new ATOM 0 HD21 LEU A 43 6.886 -14.547 -25.723 1.00 2.45 H new ATOM 0 HD22 LEU A 43 7.634 -12.935 -25.823 1.00 2.45 H new ATOM 0 HD23 LEU A 43 8.252 -14.133 -24.660 1.00 2.45 H new ATOM 684 N ASN A 44 8.118 -12.046 -20.272 1.00 53.33 N ATOM 685 CA ASN A 44 8.857 -12.710 -19.205 1.00 65.04 C ATOM 686 C ASN A 44 8.111 -12.606 -17.879 1.00 74.12 C ATOM 687 O ASN A 44 8.245 -13.468 -17.010 1.00 12.20 O ATOM 688 CB ASN A 44 10.253 -12.098 -19.067 1.00 21.51 C ATOM 689 CG ASN A 44 11.034 -12.695 -17.912 1.00 32.22 C ATOM 690 OD1 ASN A 44 10.783 -12.378 -16.749 1.00 33.31 O ATOM 691 ND2 ASN A 44 11.987 -13.564 -18.228 1.00 71.02 N ATOM 0 H ASN A 44 8.491 -11.135 -20.539 1.00 53.33 H new ATOM 0 HA ASN A 44 8.953 -13.764 -19.465 1.00 65.04 H new ATOM 0 HB2 ASN A 44 10.807 -12.250 -19.994 1.00 21.51 H new ATOM 0 HB3 ASN A 44 10.162 -11.021 -18.923 1.00 21.51 H new ATOM 0 HD21 ASN A 44 12.545 -13.998 -17.493 1.00 71.02 H new ATOM 0 HD22 ASN A 44 12.161 -13.797 -19.206 1.00 71.02 H new ATOM 698 N TYR A 45 7.323 -11.546 -17.731 1.00 64.45 N ATOM 699 CA TYR A 45 6.556 -11.328 -16.511 1.00 22.41 C ATOM 700 C TYR A 45 5.292 -12.182 -16.502 1.00 71.33 C ATOM 701 O TYR A 45 5.027 -12.911 -15.545 1.00 60.33 O ATOM 702 CB TYR A 45 6.188 -9.850 -16.372 1.00 73.43 C ATOM 703 CG TYR A 45 5.529 -9.512 -15.054 1.00 50.42 C ATOM 704 CD1 TYR A 45 6.288 -9.302 -13.909 1.00 54.54 C ATOM 705 CD2 TYR A 45 4.147 -9.401 -14.954 1.00 45.50 C ATOM 706 CE1 TYR A 45 5.690 -8.993 -12.703 1.00 12.40 C ATOM 707 CE2 TYR A 45 3.541 -9.090 -13.752 1.00 61.50 C ATOM 708 CZ TYR A 45 4.316 -8.888 -12.629 1.00 44.04 C ATOM 709 OH TYR A 45 3.717 -8.579 -11.430 1.00 1.02 O ATOM 0 H TYR A 45 7.199 -10.825 -18.441 1.00 64.45 H new ATOM 0 HA TYR A 45 7.177 -11.622 -15.665 1.00 22.41 H new ATOM 0 HB2 TYR A 45 7.090 -9.248 -16.483 1.00 73.43 H new ATOM 0 HB3 TYR A 45 5.518 -9.573 -17.186 1.00 73.43 H new ATOM 0 HD1 TYR A 45 7.364 -9.382 -13.963 1.00 54.54 H new ATOM 0 HD2 TYR A 45 3.537 -9.561 -15.831 1.00 45.50 H new ATOM 0 HE1 TYR A 45 6.295 -8.834 -11.822 1.00 12.40 H new ATOM 0 HE2 TYR A 45 2.466 -9.005 -13.692 1.00 61.50 H new ATOM 0 HH TYR A 45 4.035 -7.705 -11.121 1.00 1.02 H new ATOM 719 N LEU A 46 4.515 -12.087 -17.575 1.00 74.13 N ATOM 720 CA LEU A 46 3.277 -12.851 -17.694 1.00 3.21 C ATOM 721 C LEU A 46 3.523 -14.331 -17.420 1.00 34.05 C ATOM 722 O LEU A 46 2.649 -15.030 -16.907 1.00 52.33 O ATOM 723 CB LEU A 46 2.676 -12.672 -19.089 1.00 41.20 C ATOM 724 CG LEU A 46 2.397 -11.231 -19.520 1.00 34.43 C ATOM 725 CD1 LEU A 46 2.576 -11.079 -21.022 1.00 63.11 C ATOM 726 CD2 LEU A 46 0.994 -10.813 -19.103 1.00 40.13 C ATOM 0 H LEU A 46 4.720 -11.489 -18.375 1.00 74.13 H new ATOM 0 HA LEU A 46 2.574 -12.475 -16.951 1.00 3.21 H new ATOM 0 HB2 LEU A 46 3.353 -13.123 -19.815 1.00 41.20 H new ATOM 0 HB3 LEU A 46 1.741 -13.231 -19.135 1.00 41.20 H new ATOM 0 HG LEU A 46 3.113 -10.577 -19.022 1.00 34.43 H new ATOM 0 HD11 LEU A 46 2.373 -10.047 -21.310 1.00 63.11 H new ATOM 0 HD12 LEU A 46 3.599 -11.337 -21.294 1.00 63.11 H new ATOM 0 HD13 LEU A 46 1.884 -11.743 -21.540 1.00 63.11 H new ATOM 0 HD21 LEU A 46 0.812 -9.785 -19.417 1.00 40.13 H new ATOM 0 HD22 LEU A 46 0.263 -11.471 -19.573 1.00 40.13 H new ATOM 0 HD23 LEU A 46 0.901 -10.883 -18.019 1.00 40.13 H new ATOM 738 N GLU A 47 4.718 -14.801 -17.762 1.00 71.13 N ATOM 739 CA GLU A 47 5.078 -16.198 -17.551 1.00 72.32 C ATOM 740 C GLU A 47 5.503 -16.438 -16.105 1.00 74.23 C ATOM 741 O GLU A 47 4.962 -17.309 -15.423 1.00 71.23 O ATOM 742 CB GLU A 47 6.206 -16.606 -18.500 1.00 65.43 C ATOM 743 CG GLU A 47 5.744 -16.847 -19.928 1.00 5.33 C ATOM 744 CD GLU A 47 5.077 -18.197 -20.105 1.00 42.45 C ATOM 745 OE1 GLU A 47 3.989 -18.400 -19.528 1.00 31.45 O ATOM 746 OE2 GLU A 47 5.643 -19.049 -20.822 1.00 13.04 O ATOM 0 H GLU A 47 5.453 -14.235 -18.186 1.00 71.13 H new ATOM 0 HA GLU A 47 4.199 -16.808 -17.759 1.00 72.32 H new ATOM 0 HB2 GLU A 47 6.968 -15.827 -18.500 1.00 65.43 H new ATOM 0 HB3 GLU A 47 6.677 -17.513 -18.122 1.00 65.43 H new ATOM 0 HG2 GLU A 47 5.047 -16.061 -20.218 1.00 5.33 H new ATOM 0 HG3 GLU A 47 6.600 -16.778 -20.599 1.00 5.33 H new ATOM 753 N LYS A 48 6.475 -15.660 -15.644 1.00 3.43 N ATOM 754 CA LYS A 48 6.974 -15.785 -14.279 1.00 40.14 C ATOM 755 C LYS A 48 5.830 -15.716 -13.273 1.00 54.32 C ATOM 756 O LYS A 48 4.863 -14.980 -13.470 1.00 31.02 O ATOM 757 CB LYS A 48 7.994 -14.683 -13.984 1.00 41.11 C ATOM 758 CG LYS A 48 8.491 -14.683 -12.549 1.00 13.53 C ATOM 759 CD LYS A 48 9.547 -13.614 -12.325 1.00 4.05 C ATOM 760 CE LYS A 48 8.920 -12.279 -11.952 1.00 23.45 C ATOM 761 NZ LYS A 48 8.684 -12.168 -10.485 1.00 61.04 N ATOM 0 H LYS A 48 6.934 -14.935 -16.196 1.00 3.43 H new ATOM 0 HA LYS A 48 7.460 -16.756 -14.184 1.00 40.14 H new ATOM 0 HB2 LYS A 48 8.845 -14.799 -14.655 1.00 41.11 H new ATOM 0 HB3 LYS A 48 7.544 -13.715 -14.204 1.00 41.11 H new ATOM 0 HG2 LYS A 48 7.653 -14.515 -11.873 1.00 13.53 H new ATOM 0 HG3 LYS A 48 8.905 -15.662 -12.306 1.00 13.53 H new ATOM 0 HD2 LYS A 48 10.226 -13.932 -11.534 1.00 4.05 H new ATOM 0 HD3 LYS A 48 10.144 -13.496 -13.229 1.00 4.05 H new ATOM 0 HE2 LYS A 48 9.572 -11.468 -12.278 1.00 23.45 H new ATOM 0 HE3 LYS A 48 7.975 -12.161 -12.482 1.00 23.45 H new ATOM 0 HZ1 LYS A 48 8.256 -11.245 -10.271 1.00 61.04 H new ATOM 0 HZ2 LYS A 48 8.042 -12.927 -10.178 1.00 61.04 H new ATOM 0 HZ3 LYS A 48 9.589 -12.255 -9.980 1.00 61.04 H new ATOM 775 N GLN A 49 5.948 -16.485 -12.196 1.00 35.20 N ATOM 776 CA GLN A 49 4.922 -16.510 -11.159 1.00 44.44 C ATOM 777 C GLN A 49 5.184 -15.434 -10.110 1.00 32.31 C ATOM 778 O GLN A 49 6.302 -14.935 -9.982 1.00 1.41 O ATOM 779 CB GLN A 49 4.872 -17.886 -10.495 1.00 21.35 C ATOM 780 CG GLN A 49 4.279 -18.969 -11.382 1.00 25.12 C ATOM 781 CD GLN A 49 2.799 -18.768 -11.638 1.00 71.20 C ATOM 782 OE1 GLN A 49 2.405 -17.923 -12.442 1.00 44.31 O ATOM 783 NE2 GLN A 49 1.968 -19.547 -10.954 1.00 44.51 N ATOM 0 H GLN A 49 6.743 -17.099 -12.018 1.00 35.20 H new ATOM 0 HA GLN A 49 3.960 -16.307 -11.629 1.00 44.44 H new ATOM 0 HB2 GLN A 49 5.882 -18.177 -10.206 1.00 21.35 H new ATOM 0 HB3 GLN A 49 4.285 -17.817 -9.579 1.00 21.35 H new ATOM 0 HG2 GLN A 49 4.810 -18.985 -12.334 1.00 25.12 H new ATOM 0 HG3 GLN A 49 4.434 -19.941 -10.915 1.00 25.12 H new ATOM 0 HE21 GLN A 49 2.338 -20.235 -10.297 1.00 44.51 H new ATOM 0 HE22 GLN A 49 0.960 -19.457 -11.085 1.00 44.51 H new ATOM 792 N THR A 50 4.144 -15.081 -9.360 1.00 24.12 N ATOM 793 CA THR A 50 4.261 -14.064 -8.323 1.00 30.05 C ATOM 794 C THR A 50 4.194 -14.686 -6.933 1.00 22.25 C ATOM 795 O THR A 50 4.906 -14.267 -6.019 1.00 30.23 O ATOM 796 CB THR A 50 3.153 -13.001 -8.451 1.00 22.43 C ATOM 797 OG1 THR A 50 2.864 -12.760 -9.832 1.00 54.31 O ATOM 798 CG2 THR A 50 3.570 -11.701 -7.780 1.00 22.43 C ATOM 0 H THR A 50 3.212 -15.485 -9.452 1.00 24.12 H new ATOM 0 HA THR A 50 5.231 -13.585 -8.458 1.00 30.05 H new ATOM 0 HB THR A 50 2.259 -13.377 -7.953 1.00 22.43 H new ATOM 0 HG1 THR A 50 2.158 -12.085 -9.905 1.00 54.31 H new ATOM 0 HG21 THR A 50 2.772 -10.966 -7.883 1.00 22.43 H new ATOM 0 HG22 THR A 50 3.761 -11.883 -6.722 1.00 22.43 H new ATOM 0 HG23 THR A 50 4.476 -11.322 -8.253 1.00 22.43 H new ATOM 806 N LEU A 51 3.336 -15.688 -6.779 1.00 31.43 N ATOM 807 CA LEU A 51 3.177 -16.370 -5.499 1.00 12.23 C ATOM 808 C LEU A 51 4.370 -17.276 -5.212 1.00 75.55 C ATOM 809 O LEU A 51 4.842 -17.356 -4.079 1.00 60.42 O ATOM 810 CB LEU A 51 1.885 -17.190 -5.492 1.00 43.51 C ATOM 811 CG LEU A 51 0.584 -16.391 -5.418 1.00 54.41 C ATOM 812 CD1 LEU A 51 -0.588 -17.234 -5.897 1.00 40.53 C ATOM 813 CD2 LEU A 51 0.342 -15.895 -4.000 1.00 33.33 C ATOM 0 H LEU A 51 2.739 -16.047 -7.525 1.00 31.43 H new ATOM 0 HA LEU A 51 3.123 -15.613 -4.717 1.00 12.23 H new ATOM 0 HB2 LEU A 51 1.862 -17.802 -6.394 1.00 43.51 H new ATOM 0 HB3 LEU A 51 1.917 -17.874 -4.644 1.00 43.51 H new ATOM 0 HG LEU A 51 0.674 -15.525 -6.074 1.00 54.41 H new ATOM 0 HD11 LEU A 51 -1.506 -16.649 -5.837 1.00 40.53 H new ATOM 0 HD12 LEU A 51 -0.419 -17.539 -6.930 1.00 40.53 H new ATOM 0 HD13 LEU A 51 -0.681 -18.119 -5.268 1.00 40.53 H new ATOM 0 HD21 LEU A 51 -0.589 -15.328 -3.967 1.00 33.33 H new ATOM 0 HD22 LEU A 51 0.273 -16.747 -3.323 1.00 33.33 H new ATOM 0 HD23 LEU A 51 1.168 -15.254 -3.693 1.00 33.33 H new ATOM 825 N GLU A 52 4.852 -17.956 -6.248 1.00 50.13 N ATOM 826 CA GLU A 52 5.991 -18.856 -6.107 1.00 52.43 C ATOM 827 C GLU A 52 7.098 -18.490 -7.091 1.00 44.22 C ATOM 828 O GLU A 52 8.137 -17.958 -6.701 1.00 43.04 O ATOM 829 CB GLU A 52 5.554 -20.305 -6.330 1.00 24.24 C ATOM 830 CG GLU A 52 4.651 -20.844 -5.233 1.00 24.02 C ATOM 831 CD GLU A 52 4.449 -22.344 -5.328 1.00 52.21 C ATOM 832 OE1 GLU A 52 5.457 -23.072 -5.447 1.00 11.50 O ATOM 833 OE2 GLU A 52 3.283 -22.790 -5.284 1.00 43.43 O ATOM 0 H GLU A 52 4.472 -17.901 -7.193 1.00 50.13 H new ATOM 0 HA GLU A 52 6.380 -18.753 -5.094 1.00 52.43 H new ATOM 0 HB2 GLU A 52 5.033 -20.376 -7.285 1.00 24.24 H new ATOM 0 HB3 GLU A 52 6.440 -20.936 -6.402 1.00 24.24 H new ATOM 0 HG2 GLU A 52 5.080 -20.600 -4.261 1.00 24.02 H new ATOM 0 HG3 GLU A 52 3.683 -20.347 -5.288 1.00 24.02 H new TER 840 GLU A 52