USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 619 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 THR OG1 : rot 180:sc= -0.0185 USER MOD Set 1.2: A 63 TYR OH : rot 70:sc= 0.468 USER MOD Set 2.1: A 49 TYR OH : rot 77:sc= 0.268 USER MOD Set 2.2: A 64 ASN : amide:sc= 0.241 K(o=0.79,f=-0.21) USER MOD Set 2.3: A 66 THR OG1 : rot -119:sc= 0.282 USER MOD Set 3.1: A 8 LYS NZ :NH3+ -116:sc= 0.0241 (180deg=-0.19) USER MOD Set 3.2: A 70 THR OG1 : rot 180:sc= 0.0669 USER MOD Single : A 4 SER OG : rot 40:sc= 0.076 USER MOD Single : A 11 THR OG1 : rot -28:sc= -1.89! USER MOD Single : A 12 THR OG1 : rot 170:sc= -0.198 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.109 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -160:sc= -0.901 USER MOD Single : A 31 MET CE :methyl -146:sc= -0.237 (180deg=-2.15!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -154:sc= 1.07 (180deg=0.627) USER MOD Single : A 37 GLN :FLIP amide:sc= -2.68 F(o=-3.8!,f=-2.7) USER MOD Single : A 38 THR OG1 : rot -173:sc= 0.617 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.0117 F(o=-0.87,f=-0.012) USER MOD Single : A 50 ASN : amide:sc= -0.071 X(o=-0.071,f=-0.13) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.844 USER MOD Single : A 74 LYS NZ :NH3+ 168:sc= -0.0215 (180deg=-0.189) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N SER A 4 -3.267 -2.896 -1.362 1.00 0.00 N ATOM 29 CA SER A 4 -4.165 -1.837 -1.796 1.00 0.00 C ATOM 30 C SER A 4 -3.498 -0.944 -2.851 1.00 0.00 C ATOM 31 O SER A 4 -2.262 -0.870 -2.957 1.00 0.00 O ATOM 32 CB SER A 4 -4.577 -1.010 -0.561 1.00 0.00 C ATOM 33 OG SER A 4 -5.215 -1.819 0.416 1.00 0.00 O ATOM 0 HA SER A 4 -5.048 -2.276 -2.259 1.00 0.00 H new ATOM 0 HB2 SER A 4 -3.695 -0.539 -0.126 1.00 0.00 H new ATOM 0 HB3 SER A 4 -5.249 -0.208 -0.866 1.00 0.00 H new ATOM 0 HG SER A 4 -4.758 -2.684 0.473 1.00 0.00 H new ATOM 39 N LEU A 5 -4.345 -0.252 -3.614 1.00 0.00 N ATOM 40 CA LEU A 5 -3.944 0.629 -4.711 1.00 0.00 C ATOM 41 C LEU A 5 -4.650 1.985 -4.563 1.00 0.00 C ATOM 42 O LEU A 5 -5.829 2.050 -4.189 1.00 0.00 O ATOM 43 CB LEU A 5 -4.216 -0.068 -6.085 1.00 0.00 C ATOM 44 CG LEU A 5 -5.535 -0.913 -6.236 1.00 0.00 C ATOM 45 CD1 LEU A 5 -6.803 -0.037 -6.350 1.00 0.00 C ATOM 46 CD2 LEU A 5 -5.425 -1.889 -7.426 1.00 0.00 C ATOM 0 H LEU A 5 -5.356 -0.290 -3.482 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.872 0.824 -4.673 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.224 0.703 -6.855 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.373 -0.724 -6.299 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.644 -1.491 -5.318 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.679 -0.677 -6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.903 0.576 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.722 0.609 -7.224 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.348 -2.463 -7.512 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.261 -1.326 -8.345 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.589 -2.569 -7.263 1.00 0.00 H new ATOM 58 N GLU A 6 -3.907 3.063 -4.838 1.00 0.00 N ATOM 59 CA GLU A 6 -4.358 4.435 -4.576 1.00 0.00 C ATOM 60 C GLU A 6 -5.176 4.973 -5.759 1.00 0.00 C ATOM 61 O GLU A 6 -4.654 5.139 -6.862 1.00 0.00 O ATOM 62 CB GLU A 6 -3.145 5.349 -4.279 1.00 0.00 C ATOM 63 CG GLU A 6 -3.522 6.816 -4.005 1.00 0.00 C ATOM 64 CD GLU A 6 -2.316 7.696 -3.659 1.00 0.00 C ATOM 65 OE1 GLU A 6 -2.119 8.016 -2.466 1.00 0.00 O ATOM 66 OE2 GLU A 6 -1.542 8.047 -4.576 1.00 0.00 O ATOM 0 H GLU A 6 -2.975 3.009 -5.249 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.005 4.428 -3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -2.608 4.955 -3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.459 5.312 -5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.022 7.226 -4.883 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.238 6.853 -3.184 1.00 0.00 H new ATOM 73 N ILE A 7 -6.463 5.224 -5.517 1.00 0.00 N ATOM 74 CA ILE A 7 -7.391 5.797 -6.508 1.00 0.00 C ATOM 75 C ILE A 7 -7.987 7.118 -5.987 1.00 0.00 C ATOM 76 O ILE A 7 -7.913 7.427 -4.792 1.00 0.00 O ATOM 77 CB ILE A 7 -8.561 4.801 -6.830 1.00 0.00 C ATOM 78 CG1 ILE A 7 -9.389 4.471 -5.536 1.00 0.00 C ATOM 79 CG2 ILE A 7 -8.010 3.514 -7.491 1.00 0.00 C ATOM 80 CD1 ILE A 7 -10.688 3.737 -5.785 1.00 0.00 C ATOM 0 H ILE A 7 -6.902 5.034 -4.616 1.00 0.00 H new ATOM 0 HA ILE A 7 -6.823 5.984 -7.419 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.237 5.280 -7.538 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.771 3.870 -4.869 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -9.608 5.403 -5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.834 2.835 -7.708 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -7.499 3.772 -8.419 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -7.308 3.028 -6.813 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -11.190 3.553 -4.835 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.331 4.342 -6.424 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -10.480 2.786 -6.276 1.00 0.00 H new ATOM 92 N LYS A 8 -8.569 7.893 -6.912 1.00 0.00 N ATOM 93 CA LYS A 8 -9.291 9.140 -6.599 1.00 0.00 C ATOM 94 C LYS A 8 -10.798 8.919 -6.747 1.00 0.00 C ATOM 95 O LYS A 8 -11.218 8.087 -7.547 1.00 0.00 O ATOM 96 CB LYS A 8 -8.834 10.301 -7.531 1.00 0.00 C ATOM 97 CG LYS A 8 -7.374 10.777 -7.313 1.00 0.00 C ATOM 98 CD LYS A 8 -6.305 9.818 -7.876 1.00 0.00 C ATOM 99 CE LYS A 8 -6.302 9.756 -9.411 1.00 0.00 C ATOM 100 NZ LYS A 8 -5.980 11.068 -10.016 1.00 0.00 N ATOM 0 H LYS A 8 -8.553 7.673 -7.908 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.062 9.417 -5.570 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -8.946 9.981 -8.567 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -9.503 11.149 -7.385 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.249 11.755 -7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.202 10.908 -6.245 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.322 10.135 -7.529 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.476 8.818 -7.478 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.575 9.015 -9.743 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.279 9.424 -9.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.798 11.410 -10.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.754 11.751 -9.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.161 10.967 -10.649 1.00 0.00 H new ATOM 114 N ILE A 9 -11.604 9.638 -5.934 1.00 0.00 N ATOM 115 CA ILE A 9 -13.076 9.641 -6.045 1.00 0.00 C ATOM 116 C ILE A 9 -13.552 11.111 -6.025 1.00 0.00 C ATOM 117 O ILE A 9 -13.740 11.704 -4.960 1.00 0.00 O ATOM 118 CB ILE A 9 -13.824 8.831 -4.893 1.00 0.00 C ATOM 119 CG1 ILE A 9 -13.346 7.333 -4.774 1.00 0.00 C ATOM 120 CG2 ILE A 9 -15.360 8.892 -5.117 1.00 0.00 C ATOM 121 CD1 ILE A 9 -12.043 7.115 -4.009 1.00 0.00 C ATOM 0 H ILE A 9 -11.250 10.231 -5.184 1.00 0.00 H new ATOM 0 HA ILE A 9 -13.329 9.134 -6.976 1.00 0.00 H new ATOM 0 HB ILE A 9 -13.566 9.311 -3.949 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -14.133 6.757 -4.287 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.229 6.927 -5.779 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -15.865 8.337 -4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -15.689 9.931 -5.098 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -15.605 8.451 -6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.807 6.051 -3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.236 7.655 -4.504 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -12.154 7.483 -2.989 1.00 0.00 H new ATOM 133 N ARG A 10 -13.676 11.715 -7.205 1.00 0.00 N ATOM 134 CA ARG A 10 -14.228 13.064 -7.361 1.00 0.00 C ATOM 135 C ARG A 10 -15.758 13.035 -7.155 1.00 0.00 C ATOM 136 O ARG A 10 -16.453 12.242 -7.782 1.00 0.00 O ATOM 137 CB ARG A 10 -13.875 13.630 -8.761 1.00 0.00 C ATOM 138 CG ARG A 10 -14.153 15.143 -8.921 1.00 0.00 C ATOM 139 CD ARG A 10 -13.963 15.639 -10.363 1.00 0.00 C ATOM 140 NE ARG A 10 -14.975 15.080 -11.271 1.00 0.00 N ATOM 141 CZ ARG A 10 -16.237 15.529 -11.409 1.00 0.00 C ATOM 142 NH1 ARG A 10 -16.689 16.559 -10.698 1.00 0.00 N ATOM 143 NH2 ARG A 10 -17.040 14.938 -12.274 1.00 0.00 N ATOM 0 H ARG A 10 -13.396 11.283 -8.085 1.00 0.00 H new ATOM 0 HA ARG A 10 -13.788 13.717 -6.607 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -12.820 13.443 -8.961 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -14.444 13.086 -9.515 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.173 15.355 -8.601 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -13.489 15.701 -8.260 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -14.018 16.727 -10.383 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.968 15.364 -10.714 1.00 0.00 H new ATOM 0 HE ARG A 10 -14.698 14.284 -11.845 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -16.075 17.027 -10.031 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -17.649 16.881 -10.820 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -16.702 14.151 -12.828 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -17.998 15.268 -12.388 1.00 0.00 H new ATOM 157 N THR A 11 -16.272 13.899 -6.273 1.00 0.00 N ATOM 158 CA THR A 11 -17.708 13.963 -5.942 1.00 0.00 C ATOM 159 C THR A 11 -18.484 14.854 -6.946 1.00 0.00 C ATOM 160 O THR A 11 -17.875 15.507 -7.812 1.00 0.00 O ATOM 161 CB THR A 11 -17.889 14.503 -4.481 1.00 0.00 C ATOM 162 OG1 THR A 11 -17.521 15.881 -4.418 1.00 0.00 O ATOM 163 CG2 THR A 11 -17.038 13.711 -3.470 1.00 0.00 C ATOM 0 H THR A 11 -15.705 14.578 -5.764 1.00 0.00 H new ATOM 0 HA THR A 11 -18.119 12.956 -6.011 1.00 0.00 H new ATOM 0 HB THR A 11 -18.940 14.382 -4.218 1.00 0.00 H new ATOM 0 HG1 THR A 11 -16.850 16.072 -5.106 1.00 0.00 H new ATOM 0 HG21 THR A 11 -17.191 14.116 -2.470 1.00 0.00 H new ATOM 0 HG22 THR A 11 -17.335 12.662 -3.487 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.985 13.794 -3.737 1.00 0.00 H new ATOM 171 N THR A 12 -19.831 14.873 -6.814 1.00 0.00 N ATOM 172 CA THR A 12 -20.724 15.790 -7.572 1.00 0.00 C ATOM 173 C THR A 12 -20.400 17.269 -7.267 1.00 0.00 C ATOM 174 O THR A 12 -20.640 18.162 -8.096 1.00 0.00 O ATOM 175 CB THR A 12 -22.232 15.512 -7.229 1.00 0.00 C ATOM 176 OG1 THR A 12 -22.335 15.065 -5.863 1.00 0.00 O ATOM 177 CG2 THR A 12 -22.883 14.486 -8.171 1.00 0.00 C ATOM 0 H THR A 12 -20.333 14.253 -6.179 1.00 0.00 H new ATOM 0 HA THR A 12 -20.553 15.602 -8.632 1.00 0.00 H new ATOM 0 HB THR A 12 -22.775 16.447 -7.366 1.00 0.00 H new ATOM 0 HG1 THR A 12 -23.278 15.045 -5.595 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.924 14.337 -7.883 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.839 14.854 -9.196 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.348 13.539 -8.103 1.00 0.00 H new ATOM 185 N GLU A 13 -19.864 17.498 -6.057 1.00 0.00 N ATOM 186 CA GLU A 13 -19.464 18.828 -5.568 1.00 0.00 C ATOM 187 C GLU A 13 -18.277 19.380 -6.383 1.00 0.00 C ATOM 188 O GLU A 13 -18.109 20.597 -6.502 1.00 0.00 O ATOM 189 CB GLU A 13 -19.076 18.720 -4.082 1.00 0.00 C ATOM 190 CG GLU A 13 -20.141 18.050 -3.193 1.00 0.00 C ATOM 191 CD GLU A 13 -19.592 17.676 -1.818 1.00 0.00 C ATOM 192 OE1 GLU A 13 -18.956 16.610 -1.713 1.00 0.00 O ATOM 193 OE2 GLU A 13 -19.755 18.457 -0.858 1.00 0.00 O ATOM 0 H GLU A 13 -19.694 16.753 -5.381 1.00 0.00 H new ATOM 0 HA GLU A 13 -20.302 19.515 -5.685 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -18.147 18.156 -4.002 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -18.876 19.720 -3.698 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -20.988 18.725 -3.073 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -20.515 17.154 -3.689 1.00 0.00 H new ATOM 200 N GLY A 14 -17.456 18.455 -6.929 1.00 0.00 N ATOM 201 CA GLY A 14 -16.303 18.798 -7.766 1.00 0.00 C ATOM 202 C GLY A 14 -14.978 18.537 -7.072 1.00 0.00 C ATOM 203 O GLY A 14 -13.924 18.564 -7.727 1.00 0.00 O ATOM 0 H GLY A 14 -17.581 17.451 -6.797 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.345 18.221 -8.690 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -16.362 19.850 -8.045 1.00 0.00 H new ATOM 207 N ARG A 15 -15.029 18.291 -5.735 1.00 0.00 N ATOM 208 CA ARG A 15 -13.833 17.994 -4.922 1.00 0.00 C ATOM 209 C ARG A 15 -13.297 16.601 -5.307 1.00 0.00 C ATOM 210 O ARG A 15 -14.088 15.700 -5.590 1.00 0.00 O ATOM 211 CB ARG A 15 -14.162 18.052 -3.391 1.00 0.00 C ATOM 212 CG ARG A 15 -14.960 16.839 -2.849 1.00 0.00 C ATOM 213 CD ARG A 15 -15.173 16.852 -1.334 1.00 0.00 C ATOM 214 NE ARG A 15 -16.178 17.834 -0.924 1.00 0.00 N ATOM 215 CZ ARG A 15 -16.220 18.448 0.265 1.00 0.00 C ATOM 216 NH1 ARG A 15 -15.204 18.362 1.121 1.00 0.00 N ATOM 217 NH2 ARG A 15 -17.272 19.176 0.580 1.00 0.00 N ATOM 0 H ARG A 15 -15.897 18.294 -5.200 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.071 18.748 -5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -13.227 18.131 -2.836 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -14.729 18.961 -3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.932 16.810 -3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.437 15.923 -3.123 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.481 15.860 -1.004 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -14.228 17.073 -0.838 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.905 18.070 -1.599 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -14.375 17.821 0.876 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.255 18.837 2.022 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -18.045 19.268 -0.079 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -17.314 19.648 1.483 1.00 0.00 H new ATOM 231 N THR A 16 -11.970 16.424 -5.345 1.00 0.00 N ATOM 232 CA THR A 16 -11.360 15.132 -5.715 1.00 0.00 C ATOM 233 C THR A 16 -10.739 14.465 -4.473 1.00 0.00 C ATOM 234 O THR A 16 -9.714 14.914 -3.954 1.00 0.00 O ATOM 235 CB THR A 16 -10.296 15.316 -6.845 1.00 0.00 C ATOM 236 OG1 THR A 16 -10.851 16.116 -7.910 1.00 0.00 O ATOM 237 CG2 THR A 16 -9.833 13.959 -7.418 1.00 0.00 C ATOM 0 H THR A 16 -11.295 17.156 -5.125 1.00 0.00 H new ATOM 0 HA THR A 16 -12.141 14.479 -6.104 1.00 0.00 H new ATOM 0 HB THR A 16 -9.431 15.816 -6.409 1.00 0.00 H new ATOM 0 HG1 THR A 16 -10.181 16.231 -8.616 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.094 14.128 -8.201 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.389 13.361 -6.622 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.689 13.429 -7.836 1.00 0.00 H new ATOM 245 N LEU A 17 -11.385 13.390 -4.004 1.00 0.00 N ATOM 246 CA LEU A 17 -10.947 12.618 -2.833 1.00 0.00 C ATOM 247 C LEU A 17 -9.855 11.643 -3.275 1.00 0.00 C ATOM 248 O LEU A 17 -9.720 11.387 -4.473 1.00 0.00 O ATOM 249 CB LEU A 17 -12.149 11.842 -2.245 1.00 0.00 C ATOM 250 CG LEU A 17 -13.392 12.695 -1.851 1.00 0.00 C ATOM 251 CD1 LEU A 17 -14.587 11.793 -1.482 1.00 0.00 C ATOM 252 CD2 LEU A 17 -13.058 13.687 -0.717 1.00 0.00 C ATOM 0 H LEU A 17 -12.237 13.027 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.555 13.285 -2.066 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -12.463 11.094 -2.973 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.809 11.303 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.680 13.285 -2.721 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -15.441 12.414 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.849 11.168 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -14.317 11.159 -0.638 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.947 14.266 -0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.725 13.136 0.162 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.266 14.361 -1.045 1.00 0.00 H new ATOM 264 N THR A 18 -9.076 11.102 -2.331 1.00 0.00 N ATOM 265 CA THR A 18 -8.047 10.098 -2.649 1.00 0.00 C ATOM 266 C THR A 18 -7.870 9.113 -1.470 1.00 0.00 C ATOM 267 O THR A 18 -7.580 9.539 -0.345 1.00 0.00 O ATOM 268 CB THR A 18 -6.666 10.777 -2.991 1.00 0.00 C ATOM 269 OG1 THR A 18 -6.854 11.804 -3.983 1.00 0.00 O ATOM 270 CG2 THR A 18 -5.628 9.771 -3.525 1.00 0.00 C ATOM 0 H THR A 18 -9.136 11.341 -1.341 1.00 0.00 H new ATOM 0 HA THR A 18 -8.384 9.549 -3.528 1.00 0.00 H new ATOM 0 HB THR A 18 -6.287 11.198 -2.060 1.00 0.00 H new ATOM 0 HG1 THR A 18 -5.992 12.222 -4.189 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.696 10.292 -3.744 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.446 9.003 -2.774 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.007 9.306 -4.435 1.00 0.00 H new ATOM 278 N VAL A 19 -8.075 7.807 -1.739 1.00 0.00 N ATOM 279 CA VAL A 19 -7.810 6.706 -0.776 1.00 0.00 C ATOM 280 C VAL A 19 -7.091 5.556 -1.484 1.00 0.00 C ATOM 281 O VAL A 19 -7.104 5.466 -2.713 1.00 0.00 O ATOM 282 CB VAL A 19 -9.120 6.126 -0.091 1.00 0.00 C ATOM 283 CG1 VAL A 19 -9.710 7.097 0.946 1.00 0.00 C ATOM 284 CG2 VAL A 19 -10.184 5.719 -1.151 1.00 0.00 C ATOM 0 H VAL A 19 -8.432 7.479 -2.637 1.00 0.00 H new ATOM 0 HA VAL A 19 -7.193 7.141 0.010 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.823 5.225 0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.604 6.658 1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -8.974 7.286 1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.970 8.036 0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.067 5.326 -0.648 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -10.461 6.592 -1.742 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -9.770 4.953 -1.807 1.00 0.00 H new ATOM 294 N ASP A 20 -6.479 4.668 -0.686 1.00 0.00 N ATOM 295 CA ASP A 20 -5.904 3.405 -1.176 1.00 0.00 C ATOM 296 C ASP A 20 -6.807 2.260 -0.689 1.00 0.00 C ATOM 297 O ASP A 20 -7.126 2.167 0.502 1.00 0.00 O ATOM 298 CB ASP A 20 -4.420 3.233 -0.726 1.00 0.00 C ATOM 299 CG ASP A 20 -4.226 3.059 0.793 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.439 4.038 1.540 1.00 0.00 O ATOM 301 OD2 ASP A 20 -3.853 1.950 1.243 1.00 0.00 O ATOM 0 H ASP A 20 -6.368 4.805 0.319 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.873 3.401 -2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.998 2.366 -1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.851 4.103 -1.054 1.00 0.00 H new ATOM 306 N VAL A 21 -7.279 1.440 -1.632 1.00 0.00 N ATOM 307 CA VAL A 21 -8.237 0.342 -1.374 1.00 0.00 C ATOM 308 C VAL A 21 -7.805 -0.919 -2.128 1.00 0.00 C ATOM 309 O VAL A 21 -7.189 -0.831 -3.195 1.00 0.00 O ATOM 310 CB VAL A 21 -9.699 0.732 -1.813 1.00 0.00 C ATOM 311 CG1 VAL A 21 -10.294 1.835 -0.908 1.00 0.00 C ATOM 312 CG2 VAL A 21 -9.723 1.162 -3.301 1.00 0.00 C ATOM 0 H VAL A 21 -7.007 1.515 -2.612 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.239 0.153 -0.300 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.326 -0.152 -1.698 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -11.303 2.076 -1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -10.329 1.481 0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.670 2.727 -0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -10.741 1.428 -3.587 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.070 2.023 -3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.375 0.338 -3.924 1.00 0.00 H new ATOM 322 N LYS A 22 -8.125 -2.089 -1.565 1.00 0.00 N ATOM 323 CA LYS A 22 -7.796 -3.375 -2.189 1.00 0.00 C ATOM 324 C LYS A 22 -8.681 -3.609 -3.426 1.00 0.00 C ATOM 325 O LYS A 22 -9.878 -3.325 -3.374 1.00 0.00 O ATOM 326 CB LYS A 22 -7.985 -4.534 -1.188 1.00 0.00 C ATOM 327 CG LYS A 22 -7.225 -4.364 0.140 1.00 0.00 C ATOM 328 CD LYS A 22 -7.419 -5.568 1.077 1.00 0.00 C ATOM 329 CE LYS A 22 -6.860 -6.881 0.492 1.00 0.00 C ATOM 330 NZ LYS A 22 -7.108 -8.035 1.395 1.00 0.00 N ATOM 0 H LYS A 22 -8.614 -2.172 -0.674 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.750 -3.345 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.048 -4.640 -0.972 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.661 -5.461 -1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -6.163 -4.233 -0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.567 -3.458 0.640 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.930 -5.363 2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.482 -5.692 1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.320 -7.072 -0.478 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.789 -6.776 0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.718 -8.900 0.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.648 -7.864 2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.132 -8.150 1.538 1.00 0.00 H new ATOM 344 N PRO A 23 -8.117 -4.158 -4.544 1.00 0.00 N ATOM 345 CA PRO A 23 -8.906 -4.508 -5.758 1.00 0.00 C ATOM 346 C PRO A 23 -9.904 -5.670 -5.491 1.00 0.00 C ATOM 347 O PRO A 23 -10.835 -5.900 -6.270 1.00 0.00 O ATOM 348 CB PRO A 23 -7.815 -4.894 -6.793 1.00 0.00 C ATOM 349 CG PRO A 23 -6.642 -5.334 -5.962 1.00 0.00 C ATOM 350 CD PRO A 23 -6.675 -4.484 -4.714 1.00 0.00 C ATOM 0 HA PRO A 23 -9.540 -3.691 -6.102 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.157 -5.693 -7.450 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.555 -4.048 -7.429 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.714 -6.393 -5.715 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.706 -5.196 -6.504 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -6.283 -5.024 -3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.072 -3.583 -4.828 1.00 0.00 H new ATOM 358 N ASP A 24 -9.694 -6.363 -4.360 1.00 0.00 N ATOM 359 CA ASP A 24 -10.536 -7.479 -3.885 1.00 0.00 C ATOM 360 C ASP A 24 -11.893 -6.979 -3.353 1.00 0.00 C ATOM 361 O ASP A 24 -12.862 -7.745 -3.293 1.00 0.00 O ATOM 362 CB ASP A 24 -9.786 -8.229 -2.754 1.00 0.00 C ATOM 363 CG ASP A 24 -8.360 -8.635 -3.154 1.00 0.00 C ATOM 364 OD1 ASP A 24 -7.438 -7.797 -3.016 1.00 0.00 O ATOM 365 OD2 ASP A 24 -8.148 -9.775 -3.621 1.00 0.00 O ATOM 0 H ASP A 24 -8.915 -6.160 -3.733 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.730 -8.145 -4.726 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.743 -7.594 -1.869 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.349 -9.121 -2.480 1.00 0.00 H new ATOM 370 N ARG A 25 -11.936 -5.683 -2.963 1.00 0.00 N ATOM 371 CA ARG A 25 -13.107 -5.053 -2.312 1.00 0.00 C ATOM 372 C ARG A 25 -14.279 -4.868 -3.295 1.00 0.00 C ATOM 373 O ARG A 25 -14.089 -4.947 -4.509 1.00 0.00 O ATOM 374 CB ARG A 25 -12.698 -3.682 -1.701 1.00 0.00 C ATOM 375 CG ARG A 25 -11.643 -3.764 -0.574 1.00 0.00 C ATOM 376 CD ARG A 25 -12.115 -4.557 0.659 1.00 0.00 C ATOM 377 NE ARG A 25 -11.020 -4.737 1.635 1.00 0.00 N ATOM 378 CZ ARG A 25 -10.990 -4.258 2.890 1.00 0.00 C ATOM 379 NH1 ARG A 25 -12.010 -3.578 3.393 1.00 0.00 N ATOM 380 NH2 ARG A 25 -9.931 -4.484 3.649 1.00 0.00 N ATOM 0 H ARG A 25 -11.153 -5.042 -3.093 1.00 0.00 H new ATOM 0 HA ARG A 25 -13.446 -5.720 -1.519 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -12.310 -3.046 -2.497 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -13.590 -3.194 -1.309 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -10.738 -4.227 -0.968 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.375 -2.754 -0.265 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.945 -4.034 1.134 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -12.489 -5.532 0.346 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.211 -5.276 1.327 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.840 -3.409 2.825 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -11.965 -3.224 4.348 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -9.144 -5.019 3.281 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.901 -4.124 4.603 1.00 0.00 H new ATOM 394 N THR A 26 -15.483 -4.625 -2.751 1.00 0.00 N ATOM 395 CA THR A 26 -16.692 -4.322 -3.541 1.00 0.00 C ATOM 396 C THR A 26 -16.790 -2.816 -3.800 1.00 0.00 C ATOM 397 O THR A 26 -16.072 -2.013 -3.182 1.00 0.00 O ATOM 398 CB THR A 26 -17.999 -4.800 -2.819 1.00 0.00 C ATOM 399 OG1 THR A 26 -18.099 -4.175 -1.533 1.00 0.00 O ATOM 400 CG2 THR A 26 -18.047 -6.324 -2.643 1.00 0.00 C ATOM 0 H THR A 26 -15.648 -4.633 -1.744 1.00 0.00 H new ATOM 0 HA THR A 26 -16.603 -4.862 -4.484 1.00 0.00 H new ATOM 0 HB THR A 26 -18.839 -4.511 -3.451 1.00 0.00 H new ATOM 0 HG1 THR A 26 -18.711 -4.689 -0.966 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.972 -6.603 -2.138 1.00 0.00 H new ATOM 0 HG22 THR A 26 -18.008 -6.805 -3.621 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.195 -6.648 -2.045 1.00 0.00 H new ATOM 408 N ILE A 27 -17.689 -2.438 -4.720 1.00 0.00 N ATOM 409 CA ILE A 27 -17.981 -1.029 -5.016 1.00 0.00 C ATOM 410 C ILE A 27 -18.671 -0.375 -3.796 1.00 0.00 C ATOM 411 O ILE A 27 -18.511 0.820 -3.564 1.00 0.00 O ATOM 412 CB ILE A 27 -18.844 -0.889 -6.328 1.00 0.00 C ATOM 413 CG1 ILE A 27 -18.120 -1.562 -7.541 1.00 0.00 C ATOM 414 CG2 ILE A 27 -19.200 0.584 -6.652 1.00 0.00 C ATOM 415 CD1 ILE A 27 -16.726 -1.032 -7.859 1.00 0.00 C ATOM 0 H ILE A 27 -18.232 -3.098 -5.277 1.00 0.00 H new ATOM 0 HA ILE A 27 -17.045 -0.502 -5.202 1.00 0.00 H new ATOM 0 HB ILE A 27 -19.784 -1.409 -6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -18.046 -2.632 -7.347 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.745 -1.441 -8.426 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -19.795 0.622 -7.565 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -19.773 1.010 -5.828 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -18.284 1.158 -6.792 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.319 -1.569 -8.716 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -16.785 0.031 -8.092 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -16.075 -1.179 -6.997 1.00 0.00 H new ATOM 427 N GLU A 28 -19.388 -1.207 -2.996 1.00 0.00 N ATOM 428 CA GLU A 28 -19.987 -0.807 -1.698 1.00 0.00 C ATOM 429 C GLU A 28 -18.931 -0.208 -0.747 1.00 0.00 C ATOM 430 O GLU A 28 -19.197 0.783 -0.061 1.00 0.00 O ATOM 431 CB GLU A 28 -20.630 -2.030 -1.010 1.00 0.00 C ATOM 432 CG GLU A 28 -21.746 -2.708 -1.816 1.00 0.00 C ATOM 433 CD GLU A 28 -22.246 -3.997 -1.157 1.00 0.00 C ATOM 434 OE1 GLU A 28 -21.471 -4.979 -1.098 1.00 0.00 O ATOM 435 OE2 GLU A 28 -23.407 -4.040 -0.692 1.00 0.00 O ATOM 0 H GLU A 28 -19.567 -2.182 -3.237 1.00 0.00 H new ATOM 0 HA GLU A 28 -20.742 -0.050 -1.909 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -19.852 -2.765 -0.805 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -21.035 -1.717 -0.048 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -22.580 -2.015 -1.930 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -21.380 -2.934 -2.818 1.00 0.00 H new ATOM 442 N GLU A 29 -17.746 -0.854 -0.719 1.00 0.00 N ATOM 443 CA GLU A 29 -16.582 -0.399 0.066 1.00 0.00 C ATOM 444 C GLU A 29 -16.178 1.016 -0.347 1.00 0.00 C ATOM 445 O GLU A 29 -15.923 1.850 0.510 1.00 0.00 O ATOM 446 CB GLU A 29 -15.385 -1.366 -0.123 1.00 0.00 C ATOM 447 CG GLU A 29 -15.641 -2.808 0.350 1.00 0.00 C ATOM 448 CD GLU A 29 -15.751 -2.933 1.874 1.00 0.00 C ATOM 449 OE1 GLU A 29 -16.868 -3.123 2.405 1.00 0.00 O ATOM 450 OE2 GLU A 29 -14.705 -2.822 2.550 1.00 0.00 O ATOM 0 H GLU A 29 -17.570 -1.711 -1.244 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.864 -0.392 1.119 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.116 -1.387 -1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.526 -0.968 0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -16.561 -3.175 -0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.833 -3.448 -0.003 1.00 0.00 H new ATOM 457 N LEU A 30 -16.160 1.269 -1.673 1.00 0.00 N ATOM 458 CA LEU A 30 -15.833 2.597 -2.236 1.00 0.00 C ATOM 459 C LEU A 30 -16.846 3.643 -1.772 1.00 0.00 C ATOM 460 O LEU A 30 -16.461 4.745 -1.392 1.00 0.00 O ATOM 461 CB LEU A 30 -15.797 2.552 -3.780 1.00 0.00 C ATOM 462 CG LEU A 30 -14.786 1.552 -4.397 1.00 0.00 C ATOM 463 CD1 LEU A 30 -14.873 1.537 -5.937 1.00 0.00 C ATOM 464 CD2 LEU A 30 -13.349 1.844 -3.910 1.00 0.00 C ATOM 0 H LEU A 30 -16.370 0.564 -2.379 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.843 2.876 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -16.794 2.302 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.565 3.551 -4.150 1.00 0.00 H new ATOM 0 HG LEU A 30 -15.054 0.554 -4.052 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.150 0.825 -6.335 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -15.878 1.243 -6.242 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.653 2.532 -6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.660 1.128 -4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -13.064 2.854 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.308 1.756 -2.824 1.00 0.00 H new ATOM 476 N MET A 31 -18.138 3.250 -1.801 1.00 0.00 N ATOM 477 CA MET A 31 -19.267 4.092 -1.368 1.00 0.00 C ATOM 478 C MET A 31 -19.121 4.491 0.115 1.00 0.00 C ATOM 479 O MET A 31 -19.516 5.586 0.500 1.00 0.00 O ATOM 480 CB MET A 31 -20.623 3.378 -1.637 1.00 0.00 C ATOM 481 CG MET A 31 -20.800 2.896 -3.088 1.00 0.00 C ATOM 482 SD MET A 31 -22.519 2.609 -3.580 1.00 0.00 S ATOM 483 CE MET A 31 -22.935 4.177 -4.347 1.00 0.00 C ATOM 0 H MET A 31 -18.426 2.328 -2.130 1.00 0.00 H new ATOM 0 HA MET A 31 -19.254 5.010 -1.956 1.00 0.00 H new ATOM 0 HB2 MET A 31 -20.710 2.522 -0.968 1.00 0.00 H new ATOM 0 HB3 MET A 31 -21.436 4.060 -1.390 1.00 0.00 H new ATOM 0 HG2 MET A 31 -20.362 3.635 -3.759 1.00 0.00 H new ATOM 0 HG3 MET A 31 -20.238 1.972 -3.221 1.00 0.00 H new ATOM 0 HE1 MET A 31 -23.983 4.408 -4.157 1.00 0.00 H new ATOM 0 HE2 MET A 31 -22.308 4.964 -3.928 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.766 4.112 -5.422 1.00 0.00 H new ATOM 493 N GLU A 32 -18.512 3.591 0.914 1.00 0.00 N ATOM 494 CA GLU A 32 -18.182 3.836 2.334 1.00 0.00 C ATOM 495 C GLU A 32 -16.993 4.799 2.483 1.00 0.00 C ATOM 496 O GLU A 32 -16.997 5.637 3.390 1.00 0.00 O ATOM 497 CB GLU A 32 -17.858 2.492 3.034 1.00 0.00 C ATOM 498 CG GLU A 32 -19.063 1.551 3.216 1.00 0.00 C ATOM 499 CD GLU A 32 -20.086 2.074 4.236 1.00 0.00 C ATOM 500 OE1 GLU A 32 -21.146 2.606 3.833 1.00 0.00 O ATOM 501 OE2 GLU A 32 -19.829 1.956 5.459 1.00 0.00 O ATOM 0 H GLU A 32 -18.233 2.665 0.589 1.00 0.00 H new ATOM 0 HA GLU A 32 -19.049 4.300 2.804 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -17.094 1.973 2.456 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -17.429 2.703 4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -19.556 1.412 2.254 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -18.707 0.572 3.536 1.00 0.00 H new ATOM 508 N LYS A 33 -15.979 4.662 1.595 1.00 0.00 N ATOM 509 CA LYS A 33 -14.761 5.508 1.629 1.00 0.00 C ATOM 510 C LYS A 33 -15.154 6.971 1.415 1.00 0.00 C ATOM 511 O LYS A 33 -14.970 7.789 2.296 1.00 0.00 O ATOM 512 CB LYS A 33 -13.689 5.083 0.571 1.00 0.00 C ATOM 513 CG LYS A 33 -13.352 3.580 0.529 1.00 0.00 C ATOM 514 CD LYS A 33 -13.057 2.973 1.919 1.00 0.00 C ATOM 515 CE LYS A 33 -12.800 1.463 1.848 1.00 0.00 C ATOM 516 NZ LYS A 33 -12.576 0.880 3.192 1.00 0.00 N ATOM 0 H LYS A 33 -15.981 3.972 0.844 1.00 0.00 H new ATOM 0 HA LYS A 33 -14.302 5.374 2.609 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -14.039 5.386 -0.416 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.771 5.637 0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -14.185 3.042 0.076 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -12.486 3.428 -0.116 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.188 3.468 2.353 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -13.899 3.166 2.584 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.650 0.971 1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.931 1.271 1.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.406 -0.142 3.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -11.749 1.332 3.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -13.415 1.041 3.784 1.00 0.00 H new ATOM 530 N LEU A 34 -15.771 7.261 0.265 1.00 0.00 N ATOM 531 CA LEU A 34 -16.229 8.621 -0.080 1.00 0.00 C ATOM 532 C LEU A 34 -17.230 9.158 0.969 1.00 0.00 C ATOM 533 O LEU A 34 -17.200 10.339 1.299 1.00 0.00 O ATOM 534 CB LEU A 34 -16.806 8.628 -1.522 1.00 0.00 C ATOM 535 CG LEU A 34 -17.964 7.604 -1.827 1.00 0.00 C ATOM 536 CD1 LEU A 34 -19.376 8.211 -1.638 1.00 0.00 C ATOM 537 CD2 LEU A 34 -17.809 6.956 -3.219 1.00 0.00 C ATOM 0 H LEU A 34 -15.969 6.566 -0.454 1.00 0.00 H new ATOM 0 HA LEU A 34 -15.380 9.304 -0.061 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.174 9.631 -1.736 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.989 8.434 -2.216 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.867 6.814 -1.082 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.130 7.456 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.494 8.545 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -19.500 9.060 -2.311 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.628 6.257 -3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.829 7.731 -3.985 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -16.860 6.422 -3.268 1.00 0.00 H new ATOM 549 N LYS A 35 -18.063 8.261 1.535 1.00 0.00 N ATOM 550 CA LYS A 35 -19.012 8.622 2.603 1.00 0.00 C ATOM 551 C LYS A 35 -18.267 9.091 3.883 1.00 0.00 C ATOM 552 O LYS A 35 -18.700 10.048 4.519 1.00 0.00 O ATOM 553 CB LYS A 35 -19.971 7.428 2.885 1.00 0.00 C ATOM 554 CG LYS A 35 -21.009 7.626 4.011 1.00 0.00 C ATOM 555 CD LYS A 35 -21.819 8.945 3.884 1.00 0.00 C ATOM 556 CE LYS A 35 -22.855 9.118 5.001 1.00 0.00 C ATOM 557 NZ LYS A 35 -23.575 10.420 4.901 1.00 0.00 N ATOM 0 H LYS A 35 -18.096 7.277 1.267 1.00 0.00 H new ATOM 0 HA LYS A 35 -19.616 9.466 2.270 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -20.507 7.197 1.964 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -19.366 6.555 3.129 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -21.700 6.783 4.009 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -20.496 7.615 4.973 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -21.131 9.791 3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -22.326 8.963 2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -23.576 8.301 4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -22.358 9.052 5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -23.914 10.703 5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -22.928 11.147 4.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -24.386 10.320 4.257 1.00 0.00 H new ATOM 571 N GLU A 36 -17.133 8.453 4.233 1.00 0.00 N ATOM 572 CA GLU A 36 -16.359 8.840 5.445 1.00 0.00 C ATOM 573 C GLU A 36 -15.438 10.047 5.156 1.00 0.00 C ATOM 574 O GLU A 36 -15.077 10.780 6.078 1.00 0.00 O ATOM 575 CB GLU A 36 -15.540 7.646 6.017 1.00 0.00 C ATOM 576 CG GLU A 36 -14.325 7.206 5.179 1.00 0.00 C ATOM 577 CD GLU A 36 -13.571 6.007 5.764 1.00 0.00 C ATOM 578 OE1 GLU A 36 -12.769 6.202 6.702 1.00 0.00 O ATOM 579 OE2 GLU A 36 -13.772 4.868 5.286 1.00 0.00 O ATOM 0 H GLU A 36 -16.731 7.677 3.707 1.00 0.00 H new ATOM 0 HA GLU A 36 -17.082 9.135 6.205 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -15.192 7.913 7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.208 6.792 6.130 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -14.661 6.956 4.173 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.636 8.046 5.086 1.00 0.00 H new ATOM 586 N GLN A 37 -15.073 10.249 3.869 1.00 0.00 N ATOM 587 CA GLN A 37 -14.195 11.359 3.444 1.00 0.00 C ATOM 588 C GLN A 37 -14.973 12.684 3.431 1.00 0.00 C ATOM 589 O GLN A 37 -14.718 13.576 4.248 1.00 0.00 O ATOM 590 CB GLN A 37 -13.580 11.084 2.043 1.00 0.00 C ATOM 591 CG GLN A 37 -12.706 9.824 1.954 1.00 0.00 C ATOM 592 CD GLN A 37 -12.095 9.616 0.570 1.00 0.00 C ATOM 593 OE1 GLN A 37 -10.914 10.171 0.346 1.00 0.00 O flip ATOM 594 NE2 GLN A 37 -12.674 8.956 -0.296 1.00 0.00 N flip ATOM 0 H GLN A 37 -15.378 9.650 3.102 1.00 0.00 H new ATOM 0 HA GLN A 37 -13.380 11.435 4.163 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.389 10.999 1.318 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -12.980 11.946 1.751 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.906 9.891 2.691 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -13.307 8.953 2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.583 8.539 -0.097 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.243 8.827 -1.212 1.00 0.00 H new ATOM 603 N THR A 38 -15.945 12.789 2.510 1.00 0.00 N ATOM 604 CA THR A 38 -16.702 14.037 2.276 1.00 0.00 C ATOM 605 C THR A 38 -18.016 14.083 3.087 1.00 0.00 C ATOM 606 O THR A 38 -18.500 15.174 3.411 1.00 0.00 O ATOM 607 CB THR A 38 -16.984 14.261 0.751 1.00 0.00 C ATOM 608 OG1 THR A 38 -17.734 15.458 0.568 1.00 0.00 O ATOM 609 CG2 THR A 38 -17.726 13.093 0.113 1.00 0.00 C ATOM 0 H THR A 38 -16.230 12.017 1.907 1.00 0.00 H new ATOM 0 HA THR A 38 -16.072 14.853 2.629 1.00 0.00 H new ATOM 0 HB THR A 38 -16.016 14.341 0.256 1.00 0.00 H new ATOM 0 HG1 THR A 38 -18.002 15.536 -0.372 1.00 0.00 H new ATOM 0 HG21 THR A 38 -17.895 13.302 -0.943 1.00 0.00 H new ATOM 0 HG22 THR A 38 -17.130 12.186 0.213 1.00 0.00 H new ATOM 0 HG23 THR A 38 -18.685 12.954 0.613 1.00 0.00 H new ATOM 617 N GLY A 39 -18.590 12.906 3.424 1.00 0.00 N ATOM 618 CA GLY A 39 -19.845 12.850 4.197 1.00 0.00 C ATOM 619 C GLY A 39 -21.115 12.821 3.356 1.00 0.00 C ATOM 620 O GLY A 39 -22.216 12.714 3.915 1.00 0.00 O ATOM 0 H GLY A 39 -18.207 11.994 3.175 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -19.825 11.963 4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -19.885 13.714 4.860 1.00 0.00 H new ATOM 624 N VAL A 40 -20.978 12.921 2.017 1.00 0.00 N ATOM 625 CA VAL A 40 -22.125 12.887 1.091 1.00 0.00 C ATOM 626 C VAL A 40 -22.705 11.439 1.040 1.00 0.00 C ATOM 627 O VAL A 40 -21.936 10.472 0.929 1.00 0.00 O ATOM 628 CB VAL A 40 -21.730 13.434 -0.355 1.00 0.00 C ATOM 629 CG1 VAL A 40 -20.925 12.414 -1.199 1.00 0.00 C ATOM 630 CG2 VAL A 40 -22.970 13.949 -1.125 1.00 0.00 C ATOM 0 H VAL A 40 -20.076 13.027 1.552 1.00 0.00 H new ATOM 0 HA VAL A 40 -22.903 13.555 1.461 1.00 0.00 H new ATOM 0 HB VAL A 40 -21.062 14.278 -0.183 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -20.690 12.850 -2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -20.000 12.162 -0.680 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -21.518 11.511 -1.342 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -22.664 14.314 -2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -23.686 13.136 -1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -23.435 14.760 -0.565 1.00 0.00 H new ATOM 640 N PRO A 41 -24.060 11.258 1.209 1.00 0.00 N ATOM 641 CA PRO A 41 -24.688 9.918 1.270 1.00 0.00 C ATOM 642 C PRO A 41 -24.687 9.218 -0.115 1.00 0.00 C ATOM 643 O PRO A 41 -25.283 9.737 -1.065 1.00 0.00 O ATOM 644 CB PRO A 41 -26.122 10.222 1.777 1.00 0.00 C ATOM 645 CG PRO A 41 -26.407 11.606 1.289 1.00 0.00 C ATOM 646 CD PRO A 41 -25.080 12.336 1.352 1.00 0.00 C ATOM 0 HA PRO A 41 -24.154 9.224 1.919 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -26.843 9.506 1.382 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -26.179 10.165 2.864 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -26.799 11.591 0.272 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -27.155 12.096 1.912 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -24.994 13.074 0.554 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -24.964 12.871 2.295 1.00 0.00 H new ATOM 654 N PRO A 42 -24.033 8.013 -0.245 1.00 0.00 N ATOM 655 CA PRO A 42 -23.855 7.322 -1.549 1.00 0.00 C ATOM 656 C PRO A 42 -25.180 6.814 -2.167 1.00 0.00 C ATOM 657 O PRO A 42 -25.197 6.380 -3.318 1.00 0.00 O ATOM 658 CB PRO A 42 -22.903 6.155 -1.207 1.00 0.00 C ATOM 659 CG PRO A 42 -23.153 5.881 0.242 1.00 0.00 C ATOM 660 CD PRO A 42 -23.415 7.232 0.863 1.00 0.00 C ATOM 0 HA PRO A 42 -23.464 7.996 -2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -23.114 5.278 -1.819 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -21.862 6.426 -1.386 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -24.005 5.215 0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -22.294 5.395 0.705 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -24.083 7.156 1.721 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -22.494 7.696 1.216 1.00 0.00 H new ATOM 668 N GLU A 43 -26.275 6.880 -1.385 1.00 0.00 N ATOM 669 CA GLU A 43 -27.643 6.580 -1.867 1.00 0.00 C ATOM 670 C GLU A 43 -28.069 7.561 -2.986 1.00 0.00 C ATOM 671 O GLU A 43 -28.872 7.217 -3.859 1.00 0.00 O ATOM 672 CB GLU A 43 -28.646 6.651 -0.682 1.00 0.00 C ATOM 673 CG GLU A 43 -28.675 8.009 0.053 1.00 0.00 C ATOM 674 CD GLU A 43 -29.663 8.050 1.229 1.00 0.00 C ATOM 675 OE1 GLU A 43 -30.814 8.497 1.044 1.00 0.00 O ATOM 676 OE2 GLU A 43 -29.293 7.621 2.340 1.00 0.00 O ATOM 0 H GLU A 43 -26.239 7.143 -0.400 1.00 0.00 H new ATOM 0 HA GLU A 43 -27.646 5.573 -2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -29.646 6.433 -1.056 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -28.397 5.869 0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -27.674 8.235 0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -28.937 8.792 -0.658 1.00 0.00 H new ATOM 683 N GLN A 44 -27.520 8.788 -2.927 1.00 0.00 N ATOM 684 CA GLN A 44 -27.792 9.860 -3.904 1.00 0.00 C ATOM 685 C GLN A 44 -26.682 9.942 -4.970 1.00 0.00 C ATOM 686 O GLN A 44 -26.717 10.827 -5.834 1.00 0.00 O ATOM 687 CB GLN A 44 -27.917 11.215 -3.163 1.00 0.00 C ATOM 688 CG GLN A 44 -29.006 11.244 -2.067 1.00 0.00 C ATOM 689 CD GLN A 44 -29.119 12.579 -1.314 1.00 0.00 C ATOM 690 OE1 GLN A 44 -28.013 13.295 -1.155 1.00 0.00 O flip ATOM 691 NE2 GLN A 44 -30.197 12.955 -0.860 1.00 0.00 N flip ATOM 0 H GLN A 44 -26.869 9.067 -2.193 1.00 0.00 H new ATOM 0 HA GLN A 44 -28.728 9.631 -4.414 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -26.956 11.458 -2.710 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -28.132 11.996 -3.892 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -29.969 11.017 -2.524 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -28.800 10.452 -1.347 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -31.033 12.387 -0.995 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -30.256 13.835 -0.348 1.00 0.00 H new ATOM 700 N LEU A 45 -25.696 9.017 -4.906 1.00 0.00 N ATOM 701 CA LEU A 45 -24.524 9.002 -5.815 1.00 0.00 C ATOM 702 C LEU A 45 -24.389 7.650 -6.537 1.00 0.00 C ATOM 703 O LEU A 45 -24.997 6.647 -6.153 1.00 0.00 O ATOM 704 CB LEU A 45 -23.192 9.330 -5.061 1.00 0.00 C ATOM 705 CG LEU A 45 -22.970 10.820 -4.619 1.00 0.00 C ATOM 706 CD1 LEU A 45 -23.229 11.796 -5.788 1.00 0.00 C ATOM 707 CD2 LEU A 45 -23.803 11.198 -3.380 1.00 0.00 C ATOM 0 H LEU A 45 -25.690 8.260 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 45 -24.700 9.782 -6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -23.143 8.702 -4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -22.360 9.040 -5.702 1.00 0.00 H new ATOM 0 HG LEU A 45 -21.923 10.909 -4.331 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -23.067 12.820 -5.450 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -22.546 11.572 -6.607 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -24.257 11.686 -6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -23.612 12.238 -3.117 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -24.863 11.068 -3.600 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -23.525 10.556 -2.545 1.00 0.00 H new ATOM 719 N ARG A 46 -23.581 7.674 -7.608 1.00 0.00 N ATOM 720 CA ARG A 46 -23.175 6.498 -8.385 1.00 0.00 C ATOM 721 C ARG A 46 -21.655 6.556 -8.520 1.00 0.00 C ATOM 722 O ARG A 46 -21.126 7.585 -8.968 1.00 0.00 O ATOM 723 CB ARG A 46 -23.791 6.501 -9.820 1.00 0.00 C ATOM 724 CG ARG A 46 -25.307 6.752 -9.901 1.00 0.00 C ATOM 725 CD ARG A 46 -25.832 6.689 -11.345 1.00 0.00 C ATOM 726 NE ARG A 46 -27.204 7.197 -11.476 1.00 0.00 N ATOM 727 CZ ARG A 46 -28.141 6.728 -12.317 1.00 0.00 C ATOM 728 NH1 ARG A 46 -27.932 5.639 -13.056 1.00 0.00 N ATOM 729 NH2 ARG A 46 -29.296 7.352 -12.414 1.00 0.00 N ATOM 0 H ARG A 46 -23.181 8.541 -7.967 1.00 0.00 H new ATOM 0 HA ARG A 46 -23.521 5.599 -7.875 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -23.284 7.264 -10.410 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -23.576 5.541 -10.289 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -25.829 6.012 -9.294 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -25.534 7.730 -9.476 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -25.172 7.267 -11.992 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -25.797 5.657 -11.695 1.00 0.00 H new ATOM 0 HE ARG A 46 -27.469 7.976 -10.874 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -27.044 5.141 -12.991 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -28.660 5.303 -13.687 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -29.474 8.185 -11.853 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -30.013 7.002 -13.050 1.00 0.00 H new ATOM 743 N VAL A 47 -20.964 5.480 -8.140 1.00 0.00 N ATOM 744 CA VAL A 47 -19.519 5.358 -8.366 1.00 0.00 C ATOM 745 C VAL A 47 -19.283 5.054 -9.858 1.00 0.00 C ATOM 746 O VAL A 47 -19.855 4.109 -10.399 1.00 0.00 O ATOM 747 CB VAL A 47 -18.873 4.241 -7.463 1.00 0.00 C ATOM 748 CG1 VAL A 47 -17.363 4.081 -7.742 1.00 0.00 C ATOM 749 CG2 VAL A 47 -19.126 4.529 -5.964 1.00 0.00 C ATOM 0 H VAL A 47 -21.382 4.676 -7.672 1.00 0.00 H new ATOM 0 HA VAL A 47 -19.039 6.297 -8.091 1.00 0.00 H new ATOM 0 HB VAL A 47 -19.355 3.297 -7.719 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -16.955 3.301 -7.099 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -17.213 3.806 -8.786 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -16.854 5.023 -7.538 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -18.670 3.744 -5.361 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -18.687 5.491 -5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -20.199 4.555 -5.775 1.00 0.00 H new ATOM 759 N ILE A 48 -18.495 5.913 -10.514 1.00 0.00 N ATOM 760 CA ILE A 48 -18.161 5.813 -11.946 1.00 0.00 C ATOM 761 C ILE A 48 -16.648 5.600 -12.077 1.00 0.00 C ATOM 762 O ILE A 48 -15.891 6.121 -11.278 1.00 0.00 O ATOM 763 CB ILE A 48 -18.584 7.132 -12.728 1.00 0.00 C ATOM 764 CG1 ILE A 48 -20.092 7.483 -12.481 1.00 0.00 C ATOM 765 CG2 ILE A 48 -18.286 7.034 -14.249 1.00 0.00 C ATOM 766 CD1 ILE A 48 -21.093 6.441 -12.944 1.00 0.00 C ATOM 0 H ILE A 48 -18.061 6.715 -10.058 1.00 0.00 H new ATOM 0 HA ILE A 48 -18.707 4.976 -12.382 1.00 0.00 H new ATOM 0 HB ILE A 48 -17.974 7.942 -12.328 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -20.237 7.651 -11.414 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -20.315 8.424 -12.985 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -18.592 7.958 -14.740 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -17.218 6.879 -14.401 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -18.839 6.197 -14.675 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -22.104 6.785 -12.725 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -20.987 6.286 -14.018 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -20.908 5.502 -12.422 1.00 0.00 H new ATOM 778 N TYR A 49 -16.229 4.822 -13.077 1.00 0.00 N ATOM 779 CA TYR A 49 -14.812 4.638 -13.443 1.00 0.00 C ATOM 780 C TYR A 49 -14.680 4.788 -14.948 1.00 0.00 C ATOM 781 O TYR A 49 -15.247 3.983 -15.693 1.00 0.00 O ATOM 782 CB TYR A 49 -14.294 3.246 -12.980 1.00 0.00 C ATOM 783 CG TYR A 49 -13.028 2.712 -13.694 1.00 0.00 C ATOM 784 CD1 TYR A 49 -11.749 3.139 -13.338 1.00 0.00 C ATOM 785 CD2 TYR A 49 -13.129 1.766 -14.723 1.00 0.00 C ATOM 786 CE1 TYR A 49 -10.629 2.642 -13.975 1.00 0.00 C ATOM 787 CE2 TYR A 49 -12.012 1.281 -15.363 1.00 0.00 C ATOM 788 CZ TYR A 49 -10.761 1.714 -14.985 1.00 0.00 C ATOM 789 OH TYR A 49 -9.644 1.221 -15.622 1.00 0.00 O ATOM 0 H TYR A 49 -16.869 4.292 -13.668 1.00 0.00 H new ATOM 0 HA TYR A 49 -14.205 5.392 -12.942 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -14.088 3.296 -11.911 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -15.096 2.520 -13.117 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -11.633 3.870 -12.552 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -14.105 1.410 -15.020 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.647 2.982 -13.681 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -12.116 0.561 -16.161 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.205 0.559 -15.048 1.00 0.00 H new ATOM 799 N ASN A 50 -13.951 5.835 -15.380 1.00 0.00 N ATOM 800 CA ASN A 50 -13.551 6.034 -16.788 1.00 0.00 C ATOM 801 C ASN A 50 -14.798 6.112 -17.720 1.00 0.00 C ATOM 802 O ASN A 50 -14.763 5.735 -18.894 1.00 0.00 O ATOM 803 CB ASN A 50 -12.518 4.926 -17.184 1.00 0.00 C ATOM 804 CG ASN A 50 -11.844 5.155 -18.538 1.00 0.00 C ATOM 805 OD1 ASN A 50 -12.221 4.567 -19.548 1.00 0.00 O ATOM 806 ND2 ASN A 50 -10.860 6.037 -18.570 1.00 0.00 N ATOM 0 H ASN A 50 -13.620 6.572 -14.758 1.00 0.00 H new ATOM 0 HA ASN A 50 -13.052 6.995 -16.912 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -11.750 4.869 -16.413 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -13.025 3.961 -17.201 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.391 6.246 -19.451 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -10.570 6.509 -17.713 1.00 0.00 H new ATOM 813 N GLY A 51 -15.903 6.649 -17.159 1.00 0.00 N ATOM 814 CA GLY A 51 -17.171 6.829 -17.879 1.00 0.00 C ATOM 815 C GLY A 51 -18.057 5.589 -17.883 1.00 0.00 C ATOM 816 O GLY A 51 -18.952 5.470 -18.721 1.00 0.00 O ATOM 0 H GLY A 51 -15.935 6.969 -16.191 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.720 7.655 -17.428 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -16.956 7.114 -18.909 1.00 0.00 H new ATOM 820 N ARG A 52 -17.816 4.673 -16.928 1.00 0.00 N ATOM 821 CA ARG A 52 -18.607 3.437 -16.759 1.00 0.00 C ATOM 822 C ARG A 52 -19.257 3.424 -15.375 1.00 0.00 C ATOM 823 O ARG A 52 -18.600 3.727 -14.381 1.00 0.00 O ATOM 824 CB ARG A 52 -17.710 2.185 -16.941 1.00 0.00 C ATOM 825 CG ARG A 52 -18.419 0.836 -16.675 1.00 0.00 C ATOM 826 CD ARG A 52 -17.571 -0.381 -17.079 1.00 0.00 C ATOM 827 NE ARG A 52 -18.335 -1.643 -16.985 1.00 0.00 N ATOM 828 CZ ARG A 52 -17.805 -2.876 -17.061 1.00 0.00 C ATOM 829 NH1 ARG A 52 -16.490 -3.048 -17.171 1.00 0.00 N ATOM 830 NH2 ARG A 52 -18.592 -3.943 -16.995 1.00 0.00 N ATOM 0 H ARG A 52 -17.063 4.768 -16.247 1.00 0.00 H new ATOM 0 HA ARG A 52 -19.386 3.413 -17.521 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -17.319 2.180 -17.959 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -16.854 2.268 -16.271 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -18.665 0.764 -15.616 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -19.361 0.813 -17.223 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -17.211 -0.250 -18.100 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -16.692 -0.440 -16.437 1.00 0.00 H new ATOM 0 HE ARG A 52 -19.344 -1.573 -16.852 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -15.870 -2.238 -17.199 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -16.102 -3.990 -17.228 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -19.600 -3.828 -16.887 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -18.189 -4.878 -17.053 1.00 0.00 H new ATOM 844 N GLU A 53 -20.549 3.062 -15.318 1.00 0.00 N ATOM 845 CA GLU A 53 -21.301 2.998 -14.063 1.00 0.00 C ATOM 846 C GLU A 53 -20.977 1.697 -13.321 1.00 0.00 C ATOM 847 O GLU A 53 -21.136 0.598 -13.871 1.00 0.00 O ATOM 848 CB GLU A 53 -22.816 3.124 -14.342 1.00 0.00 C ATOM 849 CG GLU A 53 -23.657 3.490 -13.102 1.00 0.00 C ATOM 850 CD GLU A 53 -25.110 3.824 -13.452 1.00 0.00 C ATOM 851 OE1 GLU A 53 -26.032 3.077 -13.065 1.00 0.00 O ATOM 852 OE2 GLU A 53 -25.332 4.847 -14.135 1.00 0.00 O ATOM 0 H GLU A 53 -21.096 2.807 -16.140 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.007 3.832 -13.426 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -22.971 3.882 -15.110 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.179 2.180 -14.748 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.639 2.659 -12.397 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -23.203 4.344 -12.599 1.00 0.00 H new ATOM 859 N LEU A 54 -20.494 1.823 -12.083 1.00 0.00 N ATOM 860 CA LEU A 54 -20.047 0.681 -11.277 1.00 0.00 C ATOM 861 C LEU A 54 -21.185 0.201 -10.364 1.00 0.00 C ATOM 862 O LEU A 54 -21.632 0.933 -9.467 1.00 0.00 O ATOM 863 CB LEU A 54 -18.788 1.044 -10.441 1.00 0.00 C ATOM 864 CG LEU A 54 -17.587 1.718 -11.203 1.00 0.00 C ATOM 865 CD1 LEU A 54 -16.296 1.651 -10.367 1.00 0.00 C ATOM 866 CD2 LEU A 54 -17.378 1.133 -12.623 1.00 0.00 C ATOM 0 H LEU A 54 -20.401 2.721 -11.609 1.00 0.00 H new ATOM 0 HA LEU A 54 -19.774 -0.129 -11.953 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -19.097 1.714 -9.639 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -18.420 0.132 -9.971 1.00 0.00 H new ATOM 0 HG LEU A 54 -17.847 2.768 -11.340 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -15.482 2.124 -10.916 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -16.447 2.173 -9.422 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -16.044 0.609 -10.170 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -16.537 1.634 -13.103 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -17.170 0.065 -12.550 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -18.279 1.288 -13.216 1.00 0.00 H new ATOM 878 N GLU A 55 -21.648 -1.029 -10.627 1.00 0.00 N ATOM 879 CA GLU A 55 -22.683 -1.705 -9.843 1.00 0.00 C ATOM 880 C GLU A 55 -22.141 -2.051 -8.438 1.00 0.00 C ATOM 881 O GLU A 55 -21.068 -2.649 -8.346 1.00 0.00 O ATOM 882 CB GLU A 55 -23.123 -2.999 -10.577 1.00 0.00 C ATOM 883 CG GLU A 55 -23.757 -2.780 -11.967 1.00 0.00 C ATOM 884 CD GLU A 55 -25.154 -2.134 -11.898 1.00 0.00 C ATOM 885 OE1 GLU A 55 -25.269 -0.904 -12.087 1.00 0.00 O ATOM 886 OE2 GLU A 55 -26.148 -2.857 -11.643 1.00 0.00 O ATOM 0 H GLU A 55 -21.305 -1.590 -11.407 1.00 0.00 H new ATOM 0 HA GLU A 55 -23.542 -1.043 -9.733 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -22.254 -3.648 -10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -23.838 -3.530 -9.948 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -23.100 -2.148 -12.564 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -23.831 -3.738 -12.481 1.00 0.00 H new ATOM 893 N PRO A 56 -22.882 -1.698 -7.329 1.00 0.00 N ATOM 894 CA PRO A 56 -22.441 -1.969 -5.926 1.00 0.00 C ATOM 895 C PRO A 56 -22.279 -3.482 -5.634 1.00 0.00 C ATOM 896 O PRO A 56 -21.474 -3.882 -4.785 1.00 0.00 O ATOM 897 CB PRO A 56 -23.551 -1.308 -5.052 1.00 0.00 C ATOM 898 CG PRO A 56 -24.744 -1.190 -5.962 1.00 0.00 C ATOM 899 CD PRO A 56 -24.191 -0.997 -7.363 1.00 0.00 C ATOM 0 HA PRO A 56 -21.452 -1.561 -5.718 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -23.780 -1.917 -4.178 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -23.236 -0.331 -4.686 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -25.364 -2.085 -5.908 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -25.373 -0.348 -5.672 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -24.853 -1.423 -8.116 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -24.073 0.059 -7.604 1.00 0.00 H new ATOM 907 N ARG A 57 -23.019 -4.310 -6.397 1.00 0.00 N ATOM 908 CA ARG A 57 -22.979 -5.785 -6.299 1.00 0.00 C ATOM 909 C ARG A 57 -21.600 -6.354 -6.728 1.00 0.00 C ATOM 910 O ARG A 57 -21.228 -7.462 -6.342 1.00 0.00 O ATOM 911 CB ARG A 57 -24.085 -6.399 -7.199 1.00 0.00 C ATOM 912 CG ARG A 57 -23.849 -6.207 -8.715 1.00 0.00 C ATOM 913 CD ARG A 57 -24.957 -6.809 -9.585 1.00 0.00 C ATOM 914 NE ARG A 57 -24.679 -6.633 -11.021 1.00 0.00 N ATOM 915 CZ ARG A 57 -25.605 -6.458 -11.981 1.00 0.00 C ATOM 916 NH1 ARG A 57 -26.902 -6.424 -11.683 1.00 0.00 N ATOM 917 NH2 ARG A 57 -25.228 -6.335 -13.242 1.00 0.00 N ATOM 0 H ARG A 57 -23.669 -3.971 -7.107 1.00 0.00 H new ATOM 0 HA ARG A 57 -23.147 -6.051 -5.256 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -24.160 -7.466 -6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -25.043 -5.953 -6.933 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -23.767 -5.142 -8.930 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -22.896 -6.661 -8.987 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -25.058 -7.871 -9.362 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -25.909 -6.339 -9.338 1.00 0.00 H new ATOM 0 HE ARG A 57 -23.701 -6.645 -11.312 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -27.206 -6.531 -10.715 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -27.592 -6.290 -12.422 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -24.238 -6.373 -13.484 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -25.927 -6.202 -13.973 1.00 0.00 H new ATOM 931 N THR A 58 -20.870 -5.578 -7.536 1.00 0.00 N ATOM 932 CA THR A 58 -19.630 -6.011 -8.198 1.00 0.00 C ATOM 933 C THR A 58 -18.378 -5.535 -7.416 1.00 0.00 C ATOM 934 O THR A 58 -18.478 -4.665 -6.545 1.00 0.00 O ATOM 935 CB THR A 58 -19.643 -5.444 -9.657 1.00 0.00 C ATOM 936 OG1 THR A 58 -20.905 -5.748 -10.280 1.00 0.00 O ATOM 937 CG2 THR A 58 -18.528 -6.011 -10.541 1.00 0.00 C ATOM 0 H THR A 58 -21.127 -4.615 -7.753 1.00 0.00 H new ATOM 0 HA THR A 58 -19.580 -7.100 -8.223 1.00 0.00 H new ATOM 0 HB THR A 58 -19.483 -4.369 -9.568 1.00 0.00 H new ATOM 0 HG1 THR A 58 -20.914 -5.391 -11.193 1.00 0.00 H new ATOM 0 HG21 THR A 58 -18.597 -5.575 -11.538 1.00 0.00 H new ATOM 0 HG22 THR A 58 -17.559 -5.768 -10.105 1.00 0.00 H new ATOM 0 HG23 THR A 58 -18.634 -7.094 -10.610 1.00 0.00 H new ATOM 945 N THR A 59 -17.208 -6.136 -7.718 1.00 0.00 N ATOM 946 CA THR A 59 -15.915 -5.788 -7.100 1.00 0.00 C ATOM 947 C THR A 59 -15.069 -4.887 -8.032 1.00 0.00 C ATOM 948 O THR A 59 -15.427 -4.652 -9.195 1.00 0.00 O ATOM 949 CB THR A 59 -15.124 -7.085 -6.725 1.00 0.00 C ATOM 950 OG1 THR A 59 -15.061 -7.948 -7.862 1.00 0.00 O ATOM 951 CG2 THR A 59 -15.766 -7.840 -5.549 1.00 0.00 C ATOM 0 H THR A 59 -17.136 -6.885 -8.406 1.00 0.00 H new ATOM 0 HA THR A 59 -16.119 -5.225 -6.189 1.00 0.00 H new ATOM 0 HB THR A 59 -14.123 -6.782 -6.417 1.00 0.00 H new ATOM 0 HG1 THR A 59 -14.564 -8.760 -7.629 1.00 0.00 H new ATOM 0 HG21 THR A 59 -15.181 -8.732 -5.327 1.00 0.00 H new ATOM 0 HG22 THR A 59 -15.790 -7.194 -4.672 1.00 0.00 H new ATOM 0 HG23 THR A 59 -16.783 -8.130 -5.814 1.00 0.00 H new ATOM 959 N LEU A 60 -13.931 -4.416 -7.487 1.00 0.00 N ATOM 960 CA LEU A 60 -13.010 -3.455 -8.140 1.00 0.00 C ATOM 961 C LEU A 60 -12.225 -4.113 -9.287 1.00 0.00 C ATOM 962 O LEU A 60 -12.070 -3.531 -10.369 1.00 0.00 O ATOM 963 CB LEU A 60 -12.025 -2.870 -7.076 1.00 0.00 C ATOM 964 CG LEU A 60 -12.540 -1.668 -6.219 1.00 0.00 C ATOM 965 CD1 LEU A 60 -13.912 -1.940 -5.600 1.00 0.00 C ATOM 966 CD2 LEU A 60 -11.520 -1.281 -5.137 1.00 0.00 C ATOM 0 H LEU A 60 -13.616 -4.697 -6.559 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.606 -2.650 -8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.743 -3.674 -6.397 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.118 -2.555 -7.591 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.657 -0.825 -6.900 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.225 -1.075 -5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.638 -2.125 -6.392 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.852 -2.814 -4.952 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.905 -0.442 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -11.350 -2.131 -4.477 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -10.580 -0.994 -5.609 1.00 0.00 H new ATOM 978 N GLU A 61 -11.726 -5.323 -9.010 1.00 0.00 N ATOM 979 CA GLU A 61 -10.955 -6.156 -9.962 1.00 0.00 C ATOM 980 C GLU A 61 -11.710 -6.378 -11.296 1.00 0.00 C ATOM 981 O GLU A 61 -11.085 -6.463 -12.362 1.00 0.00 O ATOM 982 CB GLU A 61 -10.631 -7.516 -9.285 1.00 0.00 C ATOM 983 CG GLU A 61 -11.862 -8.202 -8.654 1.00 0.00 C ATOM 984 CD GLU A 61 -11.557 -9.562 -8.018 1.00 0.00 C ATOM 985 OE1 GLU A 61 -10.912 -9.602 -6.951 1.00 0.00 O ATOM 986 OE2 GLU A 61 -11.971 -10.597 -8.579 1.00 0.00 O ATOM 0 H GLU A 61 -11.845 -5.767 -8.100 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.034 -5.630 -10.212 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -10.192 -8.185 -10.025 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.878 -7.358 -8.513 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.283 -7.543 -7.895 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.625 -8.334 -9.421 1.00 0.00 H new ATOM 993 N GLU A 62 -13.052 -6.439 -11.217 1.00 0.00 N ATOM 994 CA GLU A 62 -13.932 -6.650 -12.381 1.00 0.00 C ATOM 995 C GLU A 62 -13.928 -5.446 -13.329 1.00 0.00 C ATOM 996 O GLU A 62 -14.113 -5.603 -14.537 1.00 0.00 O ATOM 997 CB GLU A 62 -15.372 -6.935 -11.901 1.00 0.00 C ATOM 998 CG GLU A 62 -15.521 -8.180 -11.013 1.00 0.00 C ATOM 999 CD GLU A 62 -15.100 -9.472 -11.722 1.00 0.00 C ATOM 1000 OE1 GLU A 62 -14.013 -9.999 -11.427 1.00 0.00 O ATOM 1001 OE2 GLU A 62 -15.853 -9.954 -12.599 1.00 0.00 O ATOM 0 H GLU A 62 -13.560 -6.343 -10.338 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.549 -7.507 -12.935 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.735 -6.067 -11.350 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -16.015 -7.050 -12.774 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.919 -8.053 -10.113 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -16.559 -8.269 -10.692 1.00 0.00 H new ATOM 1008 N TYR A 63 -13.728 -4.245 -12.770 1.00 0.00 N ATOM 1009 CA TYR A 63 -13.680 -2.993 -13.548 1.00 0.00 C ATOM 1010 C TYR A 63 -12.239 -2.569 -13.856 1.00 0.00 C ATOM 1011 O TYR A 63 -12.039 -1.665 -14.668 1.00 0.00 O ATOM 1012 CB TYR A 63 -14.426 -1.874 -12.784 1.00 0.00 C ATOM 1013 CG TYR A 63 -15.921 -2.167 -12.583 1.00 0.00 C ATOM 1014 CD1 TYR A 63 -16.772 -2.310 -13.681 1.00 0.00 C ATOM 1015 CD2 TYR A 63 -16.482 -2.289 -11.311 1.00 0.00 C ATOM 1016 CE1 TYR A 63 -18.116 -2.566 -13.520 1.00 0.00 C ATOM 1017 CE2 TYR A 63 -17.827 -2.544 -11.150 1.00 0.00 C ATOM 1018 CZ TYR A 63 -18.637 -2.680 -12.255 1.00 0.00 C ATOM 1019 OH TYR A 63 -19.976 -2.928 -12.092 1.00 0.00 O ATOM 0 H TYR A 63 -13.595 -4.111 -11.768 1.00 0.00 H new ATOM 0 HA TYR A 63 -14.175 -3.169 -14.503 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -13.956 -1.733 -11.810 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -14.317 -0.936 -13.329 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -16.368 -2.218 -14.678 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -15.853 -2.182 -10.440 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -18.756 -2.676 -14.383 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -18.245 -2.637 -10.158 1.00 0.00 H new ATOM 0 HH TYR A 63 -20.177 -3.843 -12.380 1.00 0.00 H new ATOM 1029 N ASN A 64 -11.254 -3.251 -13.225 1.00 0.00 N ATOM 1030 CA ASN A 64 -9.827 -2.874 -13.272 1.00 0.00 C ATOM 1031 C ASN A 64 -9.638 -1.483 -12.625 1.00 0.00 C ATOM 1032 O ASN A 64 -9.135 -0.528 -13.235 1.00 0.00 O ATOM 1033 CB ASN A 64 -9.245 -2.968 -14.721 1.00 0.00 C ATOM 1034 CG ASN A 64 -7.733 -2.688 -14.831 1.00 0.00 C ATOM 1035 OD1 ASN A 64 -7.306 -1.564 -15.112 1.00 0.00 O ATOM 1036 ND2 ASN A 64 -6.914 -3.695 -14.579 1.00 0.00 N ATOM 0 H ASN A 64 -11.432 -4.085 -12.665 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.248 -3.590 -12.689 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.445 -3.965 -15.113 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.778 -2.262 -15.358 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.905 -3.553 -14.614 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.292 -4.614 -14.349 1.00 0.00 H new ATOM 1043 N ILE A 65 -10.119 -1.383 -11.376 1.00 0.00 N ATOM 1044 CA ILE A 65 -9.859 -0.229 -10.512 1.00 0.00 C ATOM 1045 C ILE A 65 -8.400 -0.329 -10.042 1.00 0.00 C ATOM 1046 O ILE A 65 -8.095 -1.020 -9.073 1.00 0.00 O ATOM 1047 CB ILE A 65 -10.851 -0.177 -9.292 1.00 0.00 C ATOM 1048 CG1 ILE A 65 -12.337 -0.178 -9.773 1.00 0.00 C ATOM 1049 CG2 ILE A 65 -10.570 1.039 -8.374 1.00 0.00 C ATOM 1050 CD1 ILE A 65 -12.744 1.027 -10.577 1.00 0.00 C ATOM 0 H ILE A 65 -10.698 -2.101 -10.940 1.00 0.00 H new ATOM 0 HA ILE A 65 -10.019 0.696 -11.066 1.00 0.00 H new ATOM 0 HB ILE A 65 -10.684 -1.079 -8.703 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -12.509 -1.072 -10.373 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -12.986 -0.250 -8.900 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -11.276 1.039 -7.544 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -9.553 0.975 -7.986 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -10.682 1.960 -8.946 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -13.791 0.935 -10.865 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -12.610 1.927 -9.977 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -12.126 1.093 -11.472 1.00 0.00 H new ATOM 1062 N THR A 66 -7.511 0.275 -10.835 1.00 0.00 N ATOM 1063 CA THR A 66 -6.053 0.250 -10.630 1.00 0.00 C ATOM 1064 C THR A 66 -5.536 1.643 -10.188 1.00 0.00 C ATOM 1065 O THR A 66 -6.257 2.631 -10.346 1.00 0.00 O ATOM 1066 CB THR A 66 -5.373 -0.246 -11.956 1.00 0.00 C ATOM 1067 OG1 THR A 66 -6.003 0.368 -13.099 1.00 0.00 O ATOM 1068 CG2 THR A 66 -5.422 -1.780 -12.085 1.00 0.00 C ATOM 0 H THR A 66 -7.788 0.809 -11.659 1.00 0.00 H new ATOM 0 HA THR A 66 -5.796 -0.440 -9.826 1.00 0.00 H new ATOM 0 HB THR A 66 -4.325 0.050 -11.919 1.00 0.00 H new ATOM 0 HG1 THR A 66 -6.398 -0.326 -13.667 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.941 -2.082 -13.015 1.00 0.00 H new ATOM 0 HG22 THR A 66 -4.899 -2.233 -11.243 1.00 0.00 H new ATOM 0 HG23 THR A 66 -6.460 -2.112 -12.088 1.00 0.00 H new ATOM 1076 N PRO A 67 -4.285 1.762 -9.609 1.00 0.00 N ATOM 1077 CA PRO A 67 -3.799 3.040 -9.030 1.00 0.00 C ATOM 1078 C PRO A 67 -3.553 4.127 -10.107 1.00 0.00 C ATOM 1079 O PRO A 67 -2.964 3.847 -11.158 1.00 0.00 O ATOM 1080 CB PRO A 67 -2.494 2.639 -8.290 1.00 0.00 C ATOM 1081 CG PRO A 67 -2.006 1.420 -9.019 1.00 0.00 C ATOM 1082 CD PRO A 67 -3.253 0.686 -9.473 1.00 0.00 C ATOM 0 HA PRO A 67 -4.533 3.496 -8.366 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -1.757 3.442 -8.322 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -2.685 2.423 -7.239 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -1.383 1.696 -9.870 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.397 0.792 -8.368 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.089 0.170 -10.419 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.557 -0.068 -8.747 1.00 0.00 H new ATOM 1090 N GLY A 68 -4.023 5.360 -9.832 1.00 0.00 N ATOM 1091 CA GLY A 68 -3.855 6.502 -10.743 1.00 0.00 C ATOM 1092 C GLY A 68 -5.129 6.892 -11.482 1.00 0.00 C ATOM 1093 O GLY A 68 -5.121 7.862 -12.255 1.00 0.00 O ATOM 0 H GLY A 68 -4.527 5.588 -8.975 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.500 7.360 -10.173 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.082 6.262 -11.473 1.00 0.00 H new ATOM 1097 N VAL A 69 -6.239 6.169 -11.232 1.00 0.00 N ATOM 1098 CA VAL A 69 -7.523 6.394 -11.938 1.00 0.00 C ATOM 1099 C VAL A 69 -8.445 7.291 -11.092 1.00 0.00 C ATOM 1100 O VAL A 69 -8.415 7.242 -9.853 1.00 0.00 O ATOM 1101 CB VAL A 69 -8.255 5.047 -12.306 1.00 0.00 C ATOM 1102 CG1 VAL A 69 -7.332 4.131 -13.151 1.00 0.00 C ATOM 1103 CG2 VAL A 69 -8.796 4.311 -11.051 1.00 0.00 C ATOM 0 H VAL A 69 -6.275 5.419 -10.542 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.290 6.896 -12.877 1.00 0.00 H new ATOM 0 HB VAL A 69 -9.123 5.304 -12.913 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -7.858 3.208 -13.393 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.056 4.643 -14.073 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.432 3.897 -12.582 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -9.292 3.389 -11.355 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.968 4.074 -10.383 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.509 4.952 -10.532 1.00 0.00 H new ATOM 1113 N THR A 70 -9.242 8.122 -11.774 1.00 0.00 N ATOM 1114 CA THR A 70 -10.171 9.058 -11.133 1.00 0.00 C ATOM 1115 C THR A 70 -11.609 8.548 -11.290 1.00 0.00 C ATOM 1116 O THR A 70 -12.195 8.624 -12.382 1.00 0.00 O ATOM 1117 CB THR A 70 -10.033 10.490 -11.749 1.00 0.00 C ATOM 1118 OG1 THR A 70 -8.649 10.885 -11.735 1.00 0.00 O ATOM 1119 CG2 THR A 70 -10.875 11.539 -10.984 1.00 0.00 C ATOM 0 H THR A 70 -9.260 8.164 -12.793 1.00 0.00 H new ATOM 0 HA THR A 70 -9.926 9.121 -10.073 1.00 0.00 H new ATOM 0 HB THR A 70 -10.408 10.448 -12.772 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.561 11.781 -12.122 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.747 12.517 -11.448 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.927 11.256 -11.018 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.545 11.584 -9.946 1.00 0.00 H new ATOM 1127 N LEU A 71 -12.133 7.961 -10.205 1.00 0.00 N ATOM 1128 CA LEU A 71 -13.565 7.671 -10.053 1.00 0.00 C ATOM 1129 C LEU A 71 -14.321 8.993 -9.893 1.00 0.00 C ATOM 1130 O LEU A 71 -13.773 9.961 -9.369 1.00 0.00 O ATOM 1131 CB LEU A 71 -13.846 6.732 -8.830 1.00 0.00 C ATOM 1132 CG LEU A 71 -13.640 5.194 -9.052 1.00 0.00 C ATOM 1133 CD1 LEU A 71 -12.306 4.851 -9.742 1.00 0.00 C ATOM 1134 CD2 LEU A 71 -13.776 4.442 -7.719 1.00 0.00 C ATOM 0 H LEU A 71 -11.572 7.673 -9.404 1.00 0.00 H new ATOM 0 HA LEU A 71 -13.909 7.145 -10.943 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.202 7.045 -8.008 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -14.875 6.893 -8.509 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.425 4.867 -9.734 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -12.227 3.771 -9.865 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -12.268 5.331 -10.720 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.478 5.208 -9.130 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.631 3.375 -7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.024 4.805 -7.018 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.770 4.612 -7.305 1.00 0.00 H new ATOM 1146 N GLU A 72 -15.561 9.039 -10.377 1.00 0.00 N ATOM 1147 CA GLU A 72 -16.424 10.226 -10.257 1.00 0.00 C ATOM 1148 C GLU A 72 -17.779 9.805 -9.683 1.00 0.00 C ATOM 1149 O GLU A 72 -18.204 8.663 -9.846 1.00 0.00 O ATOM 1150 CB GLU A 72 -16.592 10.927 -11.631 1.00 0.00 C ATOM 1151 CG GLU A 72 -15.268 11.458 -12.242 1.00 0.00 C ATOM 1152 CD GLU A 72 -15.457 12.138 -13.606 1.00 0.00 C ATOM 1153 OE1 GLU A 72 -15.965 11.484 -14.540 1.00 0.00 O ATOM 1154 OE2 GLU A 72 -15.098 13.327 -13.752 1.00 0.00 O ATOM 0 H GLU A 72 -16.001 8.258 -10.864 1.00 0.00 H new ATOM 0 HA GLU A 72 -15.959 10.944 -9.582 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.046 10.225 -12.331 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.287 11.760 -11.519 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.816 12.168 -11.550 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.568 10.629 -12.351 1.00 0.00 H new ATOM 1161 N LEU A 73 -18.440 10.735 -8.990 1.00 0.00 N ATOM 1162 CA LEU A 73 -19.758 10.508 -8.388 1.00 0.00 C ATOM 1163 C LEU A 73 -20.797 11.305 -9.151 1.00 0.00 C ATOM 1164 O LEU A 73 -20.727 12.527 -9.197 1.00 0.00 O ATOM 1165 CB LEU A 73 -19.754 10.894 -6.890 1.00 0.00 C ATOM 1166 CG LEU A 73 -18.883 9.995 -5.972 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -18.907 10.491 -4.509 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -19.325 8.514 -6.082 1.00 0.00 C ATOM 0 H LEU A 73 -18.074 11.673 -8.829 1.00 0.00 H new ATOM 0 HA LEU A 73 -20.004 9.448 -8.450 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -19.406 11.923 -6.798 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -20.780 10.871 -6.524 1.00 0.00 H new ATOM 0 HG LEU A 73 -17.850 10.062 -6.313 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.287 9.839 -3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -18.520 11.509 -4.464 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -19.931 10.475 -4.136 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -18.703 7.899 -5.431 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.368 8.422 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -19.215 8.177 -7.113 1.00 0.00 H new ATOM 1180 N LYS A 74 -21.709 10.585 -9.813 1.00 0.00 N ATOM 1181 CA LYS A 74 -22.861 11.164 -10.529 1.00 0.00 C ATOM 1182 C LYS A 74 -24.134 10.938 -9.699 1.00 0.00 C ATOM 1183 O LYS A 74 -24.170 10.036 -8.870 1.00 0.00 O ATOM 1184 CB LYS A 74 -22.986 10.525 -11.950 1.00 0.00 C ATOM 1185 CG LYS A 74 -22.086 11.153 -13.051 1.00 0.00 C ATOM 1186 CD LYS A 74 -20.571 11.136 -12.723 1.00 0.00 C ATOM 1187 CE LYS A 74 -19.713 11.799 -13.806 1.00 0.00 C ATOM 1188 NZ LYS A 74 -20.121 13.208 -14.044 1.00 0.00 N ATOM 0 H LYS A 74 -21.671 9.567 -9.870 1.00 0.00 H new ATOM 0 HA LYS A 74 -22.717 12.236 -10.661 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -22.749 9.464 -11.874 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -24.025 10.597 -12.271 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -22.249 10.618 -13.986 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -22.399 12.184 -13.215 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -20.405 11.646 -11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -20.246 10.104 -12.591 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -18.665 11.769 -13.509 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -19.798 11.234 -14.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -19.402 13.684 -14.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -21.035 13.226 -14.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -20.212 13.702 -13.133 1.00 0.00 H new ATOM 1202 N THR A 75 -25.175 11.755 -9.923 1.00 0.00 N ATOM 1203 CA THR A 75 -26.430 11.671 -9.148 1.00 0.00 C ATOM 1204 C THR A 75 -27.201 10.372 -9.476 1.00 0.00 C ATOM 1205 O THR A 75 -27.346 10.004 -10.642 1.00 0.00 O ATOM 1206 CB THR A 75 -27.345 12.917 -9.392 1.00 0.00 C ATOM 1207 OG1 THR A 75 -27.617 13.060 -10.794 1.00 0.00 O ATOM 1208 CG2 THR A 75 -26.704 14.217 -8.868 1.00 0.00 C ATOM 0 H THR A 75 -25.175 12.484 -10.636 1.00 0.00 H new ATOM 0 HA THR A 75 -26.154 11.656 -8.094 1.00 0.00 H new ATOM 0 HB THR A 75 -28.271 12.749 -8.843 1.00 0.00 H new ATOM 0 HG1 THR A 75 -28.191 13.841 -10.938 1.00 0.00 H new ATOM 0 HG21 THR A 75 -27.374 15.055 -9.059 1.00 0.00 H new ATOM 0 HG22 THR A 75 -26.528 14.129 -7.796 1.00 0.00 H new ATOM 0 HG23 THR A 75 -25.756 14.387 -9.378 1.00 0.00 H new ATOM 1216 N ARG A 76 -27.666 9.682 -8.424 1.00 0.00 N ATOM 1217 CA ARG A 76 -28.397 8.403 -8.529 1.00 0.00 C ATOM 1218 C ARG A 76 -29.892 8.682 -8.754 1.00 0.00 C ATOM 1219 O ARG A 76 -30.387 9.748 -8.363 1.00 0.00 O ATOM 1220 CB ARG A 76 -28.119 7.559 -7.244 1.00 0.00 C ATOM 1221 CG ARG A 76 -28.625 6.080 -7.219 1.00 0.00 C ATOM 1222 CD ARG A 76 -30.062 5.917 -6.681 1.00 0.00 C ATOM 1223 NE ARG A 76 -30.438 4.505 -6.537 1.00 0.00 N ATOM 1224 CZ ARG A 76 -31.635 4.050 -6.125 1.00 0.00 C ATOM 1225 NH1 ARG A 76 -32.648 4.875 -5.878 1.00 0.00 N ATOM 1226 NH2 ARG A 76 -31.813 2.753 -5.968 1.00 0.00 N ATOM 0 H ARG A 76 -27.545 9.998 -7.462 1.00 0.00 H new ATOM 0 HA ARG A 76 -28.054 7.822 -9.385 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -27.042 7.547 -7.078 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -28.566 8.080 -6.398 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -28.578 5.674 -8.229 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -27.949 5.486 -6.605 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -30.146 6.415 -5.715 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -30.760 6.411 -7.356 1.00 0.00 H new ATOM 0 HE ARG A 76 -29.730 3.809 -6.770 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -32.528 5.881 -6.000 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -33.545 4.502 -5.567 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -31.047 2.106 -6.158 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -32.716 2.396 -5.656 1.00 0.00 H new