USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 612 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 61 SER OG : rot 180:sc= 0.237 USER MOD Set 1.2: A 63 SER OG : rot 95:sc= 0.26 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 8:sc= 0.227 USER MOD Single : A 21 LYS NZ :NH3+ -173:sc= -0.0151 (180deg=-0.0828) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot -147:sc= 1.26 USER MOD Single : A 31 THR OG1 : rot 72:sc= 0.839 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.882 F(o=-2.3!,f=-0.88) USER MOD Single : A 34 SER OG : rot 74:sc= 1.27 USER MOD Single : A 35 GLN : amide:sc= -0.174 K(o=-0.17,f=-0.74) USER MOD Single : A 39 TYR OH : rot 30:sc= 0.569 USER MOD Single : A 40 ASN : amide:sc= -0.0836 K(o=-0.084,f=-8.5!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0.702 K(o=0.7,f=-6.5!) USER MOD Single : A 53 THR OG1 : rot 80:sc= 1.23 USER MOD Single : A 58 TYR OH : rot -129:sc= -1.92! USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 66 THR OG1 : rot 94:sc= 0.714 USER MOD Single : A 68 GLN : amide:sc= -0.743 X(o=-0.74,f=-0.5) USER MOD Single : A 71 SER OG : rot 76:sc= 1.22 USER MOD ----------------------------------------------------------------- ATOM 77 N LYS A 6 -8.193 -9.903 -3.142 1.00 0.00 N ATOM 78 CA LYS A 6 -6.883 -9.960 -2.529 1.00 0.00 C ATOM 79 C LYS A 6 -6.280 -8.578 -2.546 1.00 0.00 C ATOM 80 O LYS A 6 -6.303 -7.897 -3.579 1.00 0.00 O ATOM 81 CB LYS A 6 -5.914 -10.926 -3.277 1.00 0.00 C ATOM 82 CG LYS A 6 -6.452 -12.325 -3.618 1.00 0.00 C ATOM 83 CD LYS A 6 -7.379 -12.280 -4.827 1.00 0.00 C ATOM 84 CE LYS A 6 -7.903 -13.640 -5.215 1.00 0.00 C ATOM 85 NZ LYS A 6 -8.782 -13.540 -6.395 1.00 0.00 N ATOM 0 HA LYS A 6 -7.012 -10.334 -1.513 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -5.606 -10.445 -4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -5.018 -11.046 -2.668 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.619 -12.998 -3.820 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.989 -12.730 -2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.219 -11.621 -4.610 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.844 -11.847 -5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.070 -14.309 -5.431 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.453 -14.075 -4.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.133 -14.486 -6.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.587 -12.919 -6.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.247 -13.145 -7.194 1.00 0.00 H new ATOM 99 N LEU A 7 -5.747 -8.153 -1.439 1.00 0.00 N ATOM 100 CA LEU A 7 -5.124 -6.864 -1.390 1.00 0.00 C ATOM 101 C LEU A 7 -3.659 -7.027 -1.706 1.00 0.00 C ATOM 102 O LEU A 7 -2.865 -7.416 -0.855 1.00 0.00 O ATOM 103 CB LEU A 7 -5.316 -6.158 -0.030 1.00 0.00 C ATOM 104 CG LEU A 7 -6.758 -5.824 0.406 1.00 0.00 C ATOM 105 CD1 LEU A 7 -7.526 -7.056 0.874 1.00 0.00 C ATOM 106 CD2 LEU A 7 -6.752 -4.757 1.473 1.00 0.00 C ATOM 0 H LEU A 7 -5.731 -8.676 -0.563 1.00 0.00 H new ATOM 0 HA LEU A 7 -5.604 -6.224 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.869 -6.787 0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.748 -5.228 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.280 -5.443 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.534 -6.766 1.169 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.580 -7.781 0.062 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.013 -7.503 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.777 -4.533 1.769 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.193 -5.112 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -6.282 -3.855 1.082 1.00 0.00 H new ATOM 118 N VAL A 8 -3.314 -6.801 -2.933 1.00 0.00 N ATOM 119 CA VAL A 8 -1.952 -6.937 -3.351 1.00 0.00 C ATOM 120 C VAL A 8 -1.334 -5.564 -3.515 1.00 0.00 C ATOM 121 O VAL A 8 -1.877 -4.711 -4.219 1.00 0.00 O ATOM 122 CB VAL A 8 -1.827 -7.744 -4.676 1.00 0.00 C ATOM 123 CG1 VAL A 8 -0.373 -7.944 -5.060 1.00 0.00 C ATOM 124 CG2 VAL A 8 -2.535 -9.089 -4.564 1.00 0.00 C ATOM 0 H VAL A 8 -3.961 -6.519 -3.670 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.418 -7.494 -2.581 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.311 -7.164 -5.462 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -0.317 -8.511 -5.989 1.00 0.00 H new ATOM 0 HG12 VAL A 8 0.104 -6.974 -5.197 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.140 -8.492 -4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.433 -9.633 -5.503 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.087 -9.670 -3.757 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.592 -8.927 -4.352 1.00 0.00 H new ATOM 134 N LEU A 9 -0.249 -5.350 -2.829 1.00 0.00 N ATOM 135 CA LEU A 9 0.500 -4.130 -2.895 1.00 0.00 C ATOM 136 C LEU A 9 1.644 -4.357 -3.877 1.00 0.00 C ATOM 137 O LEU A 9 2.469 -5.246 -3.678 1.00 0.00 O ATOM 138 CB LEU A 9 1.056 -3.799 -1.500 1.00 0.00 C ATOM 139 CG LEU A 9 1.726 -2.434 -1.326 1.00 0.00 C ATOM 140 CD1 LEU A 9 0.698 -1.317 -1.426 1.00 0.00 C ATOM 141 CD2 LEU A 9 2.463 -2.370 0.002 1.00 0.00 C ATOM 0 H LEU A 9 0.150 -6.039 -2.191 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.124 -3.299 -3.222 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.237 -3.869 -0.784 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.780 -4.569 -1.232 1.00 0.00 H new ATOM 0 HG LEU A 9 2.452 -2.301 -2.128 1.00 0.00 H new ATOM 0 HD11 LEU A 9 1.193 -0.354 -1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 9 0.217 -1.352 -2.403 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.054 -1.443 -0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 9 2.934 -1.393 0.110 1.00 0.00 H new ATOM 0 HD22 LEU A 9 1.757 -2.525 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.227 -3.146 0.032 1.00 0.00 H new ATOM 153 N ASP A 10 1.647 -3.622 -4.943 1.00 0.00 N ATOM 154 CA ASP A 10 2.660 -3.750 -5.979 1.00 0.00 C ATOM 155 C ASP A 10 3.889 -2.982 -5.548 1.00 0.00 C ATOM 156 O ASP A 10 3.856 -1.756 -5.458 1.00 0.00 O ATOM 157 CB ASP A 10 2.127 -3.164 -7.277 1.00 0.00 C ATOM 158 CG ASP A 10 2.919 -3.554 -8.491 1.00 0.00 C ATOM 159 OD1 ASP A 10 4.092 -3.148 -8.628 1.00 0.00 O ATOM 160 OD2 ASP A 10 2.343 -4.228 -9.372 1.00 0.00 O ATOM 0 H ASP A 10 0.947 -2.906 -5.134 1.00 0.00 H new ATOM 0 HA ASP A 10 2.910 -4.800 -6.133 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.094 -3.484 -7.411 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.116 -2.077 -7.196 1.00 0.00 H new ATOM 165 N LEU A 11 4.961 -3.683 -5.289 1.00 0.00 N ATOM 166 CA LEU A 11 6.161 -3.070 -4.755 1.00 0.00 C ATOM 167 C LEU A 11 6.984 -2.386 -5.837 1.00 0.00 C ATOM 168 O LEU A 11 7.834 -1.521 -5.540 1.00 0.00 O ATOM 169 CB LEU A 11 7.009 -4.098 -4.004 1.00 0.00 C ATOM 170 CG LEU A 11 6.338 -4.806 -2.819 1.00 0.00 C ATOM 171 CD1 LEU A 11 7.311 -5.768 -2.158 1.00 0.00 C ATOM 172 CD2 LEU A 11 5.816 -3.796 -1.807 1.00 0.00 C ATOM 0 H LEU A 11 5.033 -4.689 -5.439 1.00 0.00 H new ATOM 0 HA LEU A 11 5.842 -2.300 -4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.334 -4.857 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.906 -3.599 -3.639 1.00 0.00 H new ATOM 0 HG LEU A 11 5.489 -5.375 -3.198 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.821 -6.262 -1.319 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.632 -6.516 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.179 -5.217 -1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.345 -4.323 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.645 -3.195 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.084 -3.146 -2.286 1.00 0.00 H new ATOM 184 N GLU A 12 6.734 -2.738 -7.078 1.00 0.00 N ATOM 185 CA GLU A 12 7.465 -2.158 -8.175 1.00 0.00 C ATOM 186 C GLU A 12 6.834 -0.846 -8.581 1.00 0.00 C ATOM 187 O GLU A 12 7.516 0.180 -8.695 1.00 0.00 O ATOM 188 CB GLU A 12 7.567 -3.128 -9.348 1.00 0.00 C ATOM 189 CG GLU A 12 8.282 -4.432 -9.000 1.00 0.00 C ATOM 190 CD GLU A 12 9.699 -4.229 -8.490 1.00 0.00 C ATOM 191 OE1 GLU A 12 9.895 -4.059 -7.273 1.00 0.00 O ATOM 192 OE2 GLU A 12 10.645 -4.261 -9.295 1.00 0.00 O ATOM 0 H GLU A 12 6.029 -3.423 -7.350 1.00 0.00 H new ATOM 0 HA GLU A 12 8.485 -1.955 -7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.564 -3.358 -9.708 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.095 -2.641 -10.167 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.705 -4.963 -8.243 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.310 -5.069 -9.884 1.00 0.00 H new ATOM 199 N ARG A 13 5.520 -0.851 -8.721 1.00 0.00 N ATOM 200 CA ARG A 13 4.781 0.355 -9.069 1.00 0.00 C ATOM 201 C ARG A 13 4.863 1.363 -7.919 1.00 0.00 C ATOM 202 O ARG A 13 4.838 2.579 -8.132 1.00 0.00 O ATOM 203 CB ARG A 13 3.316 0.021 -9.398 1.00 0.00 C ATOM 204 CG ARG A 13 2.475 1.213 -9.836 1.00 0.00 C ATOM 205 CD ARG A 13 3.002 1.849 -11.110 1.00 0.00 C ATOM 206 NE ARG A 13 2.230 3.041 -11.482 1.00 0.00 N ATOM 207 CZ ARG A 13 2.632 3.981 -12.350 1.00 0.00 C ATOM 208 NH1 ARG A 13 3.804 3.873 -12.965 1.00 0.00 N ATOM 209 NH2 ARG A 13 1.856 5.026 -12.603 1.00 0.00 N ATOM 0 H ARG A 13 4.938 -1.680 -8.599 1.00 0.00 H new ATOM 0 HA ARG A 13 5.230 0.798 -9.958 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.297 -0.730 -10.188 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.854 -0.429 -8.519 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.445 0.891 -9.991 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.460 1.957 -9.040 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.049 2.121 -10.975 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.964 1.123 -11.922 1.00 0.00 H new ATOM 0 HE ARG A 13 1.316 3.164 -11.046 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.406 3.071 -12.779 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.102 4.592 -13.624 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.953 5.115 -12.137 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.162 5.741 -13.263 1.00 0.00 H new ATOM 223 N LEU A 14 5.010 0.847 -6.717 1.00 0.00 N ATOM 224 CA LEU A 14 5.153 1.662 -5.516 1.00 0.00 C ATOM 225 C LEU A 14 6.405 2.546 -5.602 1.00 0.00 C ATOM 226 O LEU A 14 6.401 3.681 -5.154 1.00 0.00 O ATOM 227 CB LEU A 14 5.237 0.750 -4.288 1.00 0.00 C ATOM 228 CG LEU A 14 5.346 1.422 -2.921 1.00 0.00 C ATOM 229 CD1 LEU A 14 4.119 2.276 -2.634 1.00 0.00 C ATOM 230 CD2 LEU A 14 5.533 0.369 -1.839 1.00 0.00 C ATOM 0 H LEU A 14 5.035 -0.157 -6.538 1.00 0.00 H new ATOM 0 HA LEU A 14 4.283 2.313 -5.428 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.353 0.112 -4.281 1.00 0.00 H new ATOM 0 HB3 LEU A 14 6.100 0.096 -4.412 1.00 0.00 H new ATOM 0 HG LEU A 14 6.215 2.080 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.222 2.743 -1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.027 3.049 -3.397 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.228 1.648 -2.645 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.610 0.856 -0.867 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.679 -0.308 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 14 6.444 -0.196 -2.035 1.00 0.00 H new ATOM 242 N ALA A 15 7.446 2.033 -6.241 1.00 0.00 N ATOM 243 CA ALA A 15 8.707 2.751 -6.343 1.00 0.00 C ATOM 244 C ALA A 15 8.633 3.861 -7.387 1.00 0.00 C ATOM 245 O ALA A 15 9.377 4.852 -7.319 1.00 0.00 O ATOM 246 CB ALA A 15 9.836 1.794 -6.655 1.00 0.00 C ATOM 0 H ALA A 15 7.442 1.121 -6.697 1.00 0.00 H new ATOM 0 HA ALA A 15 8.906 3.219 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 15 10.772 2.347 -6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.914 1.052 -5.860 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.636 1.292 -7.602 1.00 0.00 H new ATOM 252 N THR A 16 7.738 3.711 -8.353 1.00 0.00 N ATOM 253 CA THR A 16 7.561 4.742 -9.348 1.00 0.00 C ATOM 254 C THR A 16 6.741 5.904 -8.791 1.00 0.00 C ATOM 255 O THR A 16 6.753 7.007 -9.329 1.00 0.00 O ATOM 256 CB THR A 16 6.980 4.202 -10.683 1.00 0.00 C ATOM 257 OG1 THR A 16 5.814 3.390 -10.455 1.00 0.00 O ATOM 258 CG2 THR A 16 8.021 3.384 -11.425 1.00 0.00 C ATOM 0 H THR A 16 7.135 2.896 -8.463 1.00 0.00 H new ATOM 0 HA THR A 16 8.553 5.121 -9.592 1.00 0.00 H new ATOM 0 HB THR A 16 6.695 5.064 -11.287 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.557 3.444 -9.511 1.00 0.00 H new ATOM 0 HG21 THR A 16 7.596 3.014 -12.358 1.00 0.00 H new ATOM 0 HG22 THR A 16 8.887 4.009 -11.644 1.00 0.00 H new ATOM 0 HG23 THR A 16 8.329 2.541 -10.807 1.00 0.00 H new ATOM 266 N VAL A 17 6.078 5.659 -7.677 1.00 0.00 N ATOM 267 CA VAL A 17 5.327 6.683 -6.998 1.00 0.00 C ATOM 268 C VAL A 17 6.305 7.509 -6.164 1.00 0.00 C ATOM 269 O VAL A 17 7.149 6.935 -5.469 1.00 0.00 O ATOM 270 CB VAL A 17 4.228 6.073 -6.087 1.00 0.00 C ATOM 271 CG1 VAL A 17 3.462 7.157 -5.337 1.00 0.00 C ATOM 272 CG2 VAL A 17 3.271 5.235 -6.914 1.00 0.00 C ATOM 0 H VAL A 17 6.048 4.746 -7.223 1.00 0.00 H new ATOM 0 HA VAL A 17 4.822 7.310 -7.733 1.00 0.00 H new ATOM 0 HB VAL A 17 4.718 5.437 -5.350 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.700 6.696 -4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.152 7.725 -4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.985 7.827 -6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.504 4.812 -6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.800 5.862 -7.672 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.820 4.429 -7.400 1.00 0.00 H new ATOM 282 N PRO A 18 6.253 8.861 -6.292 1.00 0.00 N ATOM 283 CA PRO A 18 7.130 9.793 -5.566 1.00 0.00 C ATOM 284 C PRO A 18 7.304 9.447 -4.084 1.00 0.00 C ATOM 285 O PRO A 18 6.323 9.104 -3.383 1.00 0.00 O ATOM 286 CB PRO A 18 6.388 11.122 -5.701 1.00 0.00 C ATOM 287 CG PRO A 18 5.716 11.031 -7.018 1.00 0.00 C ATOM 288 CD PRO A 18 5.337 9.587 -7.200 1.00 0.00 C ATOM 0 HA PRO A 18 8.143 9.782 -5.969 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.667 11.259 -4.895 1.00 0.00 H new ATOM 0 HB3 PRO A 18 7.075 11.967 -5.662 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.834 11.671 -7.050 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.380 11.362 -7.817 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.293 9.412 -6.938 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.464 9.268 -8.234 1.00 0.00 H new ATOM 296 N ALA A 19 8.538 9.581 -3.608 1.00 0.00 N ATOM 297 CA ALA A 19 8.913 9.302 -2.222 1.00 0.00 C ATOM 298 C ALA A 19 8.111 10.166 -1.255 1.00 0.00 C ATOM 299 O ALA A 19 7.905 9.799 -0.102 1.00 0.00 O ATOM 300 CB ALA A 19 10.405 9.521 -2.020 1.00 0.00 C ATOM 0 H ALA A 19 9.321 9.892 -4.183 1.00 0.00 H new ATOM 0 HA ALA A 19 8.683 8.257 -2.013 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.667 9.309 -0.983 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.963 8.855 -2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.656 10.556 -2.253 1.00 0.00 H new ATOM 306 N GLU A 20 7.634 11.307 -1.747 1.00 0.00 N ATOM 307 CA GLU A 20 6.757 12.197 -0.984 1.00 0.00 C ATOM 308 C GLU A 20 5.497 11.461 -0.512 1.00 0.00 C ATOM 309 O GLU A 20 4.911 11.810 0.505 1.00 0.00 O ATOM 310 CB GLU A 20 6.332 13.389 -1.835 1.00 0.00 C ATOM 311 CG GLU A 20 7.464 14.287 -2.273 1.00 0.00 C ATOM 312 CD GLU A 20 6.987 15.410 -3.140 1.00 0.00 C ATOM 313 OE1 GLU A 20 6.930 15.243 -4.358 1.00 0.00 O ATOM 314 OE2 GLU A 20 6.641 16.491 -2.610 1.00 0.00 O ATOM 0 H GLU A 20 7.844 11.643 -2.687 1.00 0.00 H new ATOM 0 HA GLU A 20 7.320 12.541 -0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.816 13.020 -2.721 1.00 0.00 H new ATOM 0 HB3 GLU A 20 5.613 13.983 -1.271 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.964 14.695 -1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 20 8.204 13.699 -2.816 1.00 0.00 H new ATOM 321 N LYS A 21 5.085 10.453 -1.260 1.00 0.00 N ATOM 322 CA LYS A 21 3.896 9.705 -0.923 1.00 0.00 C ATOM 323 C LYS A 21 4.254 8.282 -0.517 1.00 0.00 C ATOM 324 O LYS A 21 3.784 7.780 0.495 1.00 0.00 O ATOM 325 CB LYS A 21 2.930 9.647 -2.112 1.00 0.00 C ATOM 326 CG LYS A 21 2.541 10.992 -2.698 1.00 0.00 C ATOM 327 CD LYS A 21 1.518 10.813 -3.807 1.00 0.00 C ATOM 328 CE LYS A 21 1.179 12.125 -4.493 1.00 0.00 C ATOM 329 NZ LYS A 21 0.658 13.149 -3.554 1.00 0.00 N ATOM 0 H LYS A 21 5.560 10.136 -2.105 1.00 0.00 H new ATOM 0 HA LYS A 21 3.415 10.216 -0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.384 9.044 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.023 9.130 -1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 21 2.131 11.631 -1.916 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.426 11.495 -3.089 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.904 10.109 -4.544 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.609 10.376 -3.393 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.070 12.512 -4.987 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.438 11.942 -5.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.333 13.979 -4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.138 12.752 -3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.413 13.435 -2.898 1.00 0.00 H new ATOM 343 N ALA A 22 5.113 7.652 -1.296 1.00 0.00 N ATOM 344 CA ALA A 22 5.429 6.242 -1.113 1.00 0.00 C ATOM 345 C ALA A 22 6.572 5.987 -0.133 1.00 0.00 C ATOM 346 O ALA A 22 6.735 4.867 0.313 1.00 0.00 O ATOM 347 CB ALA A 22 5.744 5.613 -2.455 1.00 0.00 C ATOM 0 H ALA A 22 5.610 8.096 -2.068 1.00 0.00 H new ATOM 0 HA ALA A 22 4.546 5.781 -0.671 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.980 4.558 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.880 5.708 -3.113 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.599 6.120 -2.903 1.00 0.00 H new ATOM 353 N GLY A 23 7.307 7.033 0.229 1.00 0.00 N ATOM 354 CA GLY A 23 8.514 6.916 1.079 1.00 0.00 C ATOM 355 C GLY A 23 8.371 6.002 2.305 1.00 0.00 C ATOM 356 O GLY A 23 8.958 4.910 2.329 1.00 0.00 O ATOM 0 H GLY A 23 7.094 7.990 -0.052 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.335 6.546 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.795 7.912 1.421 1.00 0.00 H new ATOM 360 N PRO A 24 7.611 6.406 3.340 1.00 0.00 N ATOM 361 CA PRO A 24 7.418 5.580 4.539 1.00 0.00 C ATOM 362 C PRO A 24 6.593 4.315 4.265 1.00 0.00 C ATOM 363 O PRO A 24 6.713 3.317 4.980 1.00 0.00 O ATOM 364 CB PRO A 24 6.697 6.511 5.523 1.00 0.00 C ATOM 365 CG PRO A 24 6.877 7.881 4.954 1.00 0.00 C ATOM 366 CD PRO A 24 6.927 7.699 3.468 1.00 0.00 C ATOM 0 HA PRO A 24 8.367 5.206 4.922 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.641 6.254 5.609 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.126 6.438 6.523 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.054 8.535 5.241 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.794 8.341 5.323 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.931 7.679 3.026 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.477 8.502 2.977 1.00 0.00 H new ATOM 374 N LEU A 25 5.797 4.345 3.208 1.00 0.00 N ATOM 375 CA LEU A 25 4.981 3.204 2.826 1.00 0.00 C ATOM 376 C LEU A 25 5.929 2.065 2.380 1.00 0.00 C ATOM 377 O LEU A 25 5.763 0.899 2.763 1.00 0.00 O ATOM 378 CB LEU A 25 3.993 3.628 1.697 1.00 0.00 C ATOM 379 CG LEU A 25 2.766 2.736 1.387 1.00 0.00 C ATOM 380 CD1 LEU A 25 1.882 3.416 0.366 1.00 0.00 C ATOM 381 CD2 LEU A 25 3.147 1.351 0.886 1.00 0.00 C ATOM 0 H LEU A 25 5.699 5.154 2.595 1.00 0.00 H new ATOM 0 HA LEU A 25 4.379 2.846 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.621 4.622 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.569 3.723 0.777 1.00 0.00 H new ATOM 0 HG LEU A 25 2.231 2.601 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.020 2.784 0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.541 4.373 0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.447 3.582 -0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.243 0.775 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.728 1.443 -0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.743 0.841 1.643 1.00 0.00 H new ATOM 393 N GLN A 26 6.957 2.436 1.612 1.00 0.00 N ATOM 394 CA GLN A 26 7.975 1.493 1.148 1.00 0.00 C ATOM 395 C GLN A 26 8.754 0.919 2.323 1.00 0.00 C ATOM 396 O GLN A 26 9.208 -0.217 2.275 1.00 0.00 O ATOM 397 CB GLN A 26 8.947 2.158 0.161 1.00 0.00 C ATOM 398 CG GLN A 26 8.304 2.623 -1.135 1.00 0.00 C ATOM 399 CD GLN A 26 9.295 3.262 -2.082 1.00 0.00 C ATOM 400 OE1 GLN A 26 9.525 4.477 -2.051 1.00 0.00 O ATOM 401 NE2 GLN A 26 9.893 2.464 -2.921 1.00 0.00 N ATOM 0 H GLN A 26 7.106 3.394 1.296 1.00 0.00 H new ATOM 0 HA GLN A 26 7.457 0.685 0.632 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.412 3.014 0.649 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.744 1.453 -0.075 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.833 1.772 -1.628 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.513 3.337 -0.907 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.678 1.467 -2.918 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.576 2.837 -3.581 1.00 0.00 H new ATOM 410 N ARG A 27 8.878 1.711 3.381 1.00 0.00 N ATOM 411 CA ARG A 27 9.591 1.303 4.589 1.00 0.00 C ATOM 412 C ARG A 27 8.827 0.204 5.291 1.00 0.00 C ATOM 413 O ARG A 27 9.405 -0.806 5.687 1.00 0.00 O ATOM 414 CB ARG A 27 9.791 2.490 5.519 1.00 0.00 C ATOM 415 CG ARG A 27 10.573 3.611 4.878 1.00 0.00 C ATOM 416 CD ARG A 27 10.756 4.805 5.796 1.00 0.00 C ATOM 417 NE ARG A 27 11.314 5.950 5.063 1.00 0.00 N ATOM 418 CZ ARG A 27 11.373 7.215 5.514 1.00 0.00 C ATOM 419 NH1 ARG A 27 11.042 7.505 6.770 1.00 0.00 N ATOM 420 NH2 ARG A 27 11.781 8.186 4.708 1.00 0.00 N ATOM 0 H ARG A 27 8.489 2.653 3.428 1.00 0.00 H new ATOM 0 HA ARG A 27 10.573 0.924 4.305 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.818 2.866 5.835 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.311 2.158 6.418 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.552 3.238 4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.061 3.932 3.971 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.797 5.081 6.235 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.418 4.538 6.619 1.00 0.00 H new ATOM 0 HE ARG A 27 11.689 5.769 4.132 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.740 6.764 7.402 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.091 8.469 7.101 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.049 7.972 3.747 1.00 0.00 H new ATOM 0 HH22 ARG A 27 11.826 9.146 5.049 1.00 0.00 H new ATOM 434 N TYR A 28 7.521 0.412 5.423 1.00 0.00 N ATOM 435 CA TYR A 28 6.594 -0.592 5.975 1.00 0.00 C ATOM 436 C TYR A 28 6.750 -1.898 5.203 1.00 0.00 C ATOM 437 O TYR A 28 6.940 -2.966 5.791 1.00 0.00 O ATOM 438 CB TYR A 28 5.138 -0.077 5.862 1.00 0.00 C ATOM 439 CG TYR A 28 4.045 -1.018 6.392 1.00 0.00 C ATOM 440 CD1 TYR A 28 3.630 -0.947 7.707 1.00 0.00 C ATOM 441 CD2 TYR A 28 3.415 -1.948 5.560 1.00 0.00 C ATOM 442 CE1 TYR A 28 2.630 -1.767 8.197 1.00 0.00 C ATOM 443 CE2 TYR A 28 2.406 -2.770 6.040 1.00 0.00 C ATOM 444 CZ TYR A 28 2.019 -2.673 7.364 1.00 0.00 C ATOM 445 OH TYR A 28 1.009 -3.485 7.857 1.00 0.00 O ATOM 0 H TYR A 28 7.065 1.283 5.151 1.00 0.00 H new ATOM 0 HA TYR A 28 6.824 -0.766 7.026 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.066 0.869 6.399 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.929 0.135 4.813 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.098 -0.234 8.369 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.719 -2.028 4.527 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.330 -1.695 9.232 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.926 -3.481 5.384 1.00 0.00 H new ATOM 0 HH TYR A 28 1.033 -4.351 7.399 1.00 0.00 H new ATOM 455 N ALA A 29 6.719 -1.785 3.880 1.00 0.00 N ATOM 456 CA ALA A 29 6.862 -2.926 2.993 1.00 0.00 C ATOM 457 C ALA A 29 8.206 -3.622 3.205 1.00 0.00 C ATOM 458 O ALA A 29 8.263 -4.850 3.339 1.00 0.00 O ATOM 459 CB ALA A 29 6.707 -2.487 1.543 1.00 0.00 C ATOM 0 H ALA A 29 6.594 -0.897 3.395 1.00 0.00 H new ATOM 0 HA ALA A 29 6.075 -3.643 3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.816 -3.351 0.888 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.721 -2.045 1.400 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.473 -1.750 1.302 1.00 0.00 H new ATOM 465 N ALA A 30 9.273 -2.827 3.276 1.00 0.00 N ATOM 466 CA ALA A 30 10.626 -3.330 3.497 1.00 0.00 C ATOM 467 C ALA A 30 10.727 -4.066 4.828 1.00 0.00 C ATOM 468 O ALA A 30 11.383 -5.110 4.928 1.00 0.00 O ATOM 469 CB ALA A 30 11.634 -2.193 3.447 1.00 0.00 C ATOM 0 H ALA A 30 9.222 -1.813 3.181 1.00 0.00 H new ATOM 0 HA ALA A 30 10.855 -4.036 2.699 1.00 0.00 H new ATOM 0 HB1 ALA A 30 12.636 -2.588 3.614 1.00 0.00 H new ATOM 0 HB2 ALA A 30 11.592 -1.712 2.470 1.00 0.00 H new ATOM 0 HB3 ALA A 30 11.398 -1.463 4.221 1.00 0.00 H new ATOM 475 N THR A 31 10.067 -3.542 5.838 1.00 0.00 N ATOM 476 CA THR A 31 10.051 -4.169 7.129 1.00 0.00 C ATOM 477 C THR A 31 9.338 -5.537 7.054 1.00 0.00 C ATOM 478 O THR A 31 9.838 -6.521 7.589 1.00 0.00 O ATOM 479 CB THR A 31 9.414 -3.235 8.183 1.00 0.00 C ATOM 480 OG1 THR A 31 10.148 -1.993 8.186 1.00 0.00 O ATOM 481 CG2 THR A 31 9.468 -3.850 9.579 1.00 0.00 C ATOM 0 H THR A 31 9.532 -2.675 5.782 1.00 0.00 H new ATOM 0 HA THR A 31 11.077 -4.354 7.446 1.00 0.00 H new ATOM 0 HB THR A 31 8.367 -3.075 7.926 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.950 -1.494 7.366 1.00 0.00 H new ATOM 0 HG21 THR A 31 9.012 -3.167 10.295 1.00 0.00 H new ATOM 0 HG22 THR A 31 8.925 -4.795 9.582 1.00 0.00 H new ATOM 0 HG23 THR A 31 10.506 -4.028 9.858 1.00 0.00 H new ATOM 489 N ILE A 32 8.226 -5.603 6.314 1.00 0.00 N ATOM 490 CA ILE A 32 7.493 -6.868 6.120 1.00 0.00 C ATOM 491 C ILE A 32 8.393 -7.882 5.385 1.00 0.00 C ATOM 492 O ILE A 32 8.448 -9.068 5.740 1.00 0.00 O ATOM 493 CB ILE A 32 6.167 -6.662 5.315 1.00 0.00 C ATOM 494 CG1 ILE A 32 5.253 -5.629 6.007 1.00 0.00 C ATOM 495 CG2 ILE A 32 5.422 -7.987 5.122 1.00 0.00 C ATOM 496 CD1 ILE A 32 4.862 -5.978 7.432 1.00 0.00 C ATOM 0 H ILE A 32 7.812 -4.801 5.839 1.00 0.00 H new ATOM 0 HA ILE A 32 7.226 -7.249 7.106 1.00 0.00 H new ATOM 0 HB ILE A 32 6.439 -6.278 4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.758 -4.663 6.010 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.346 -5.513 5.414 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.505 -7.810 4.559 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.056 -8.684 4.574 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.174 -8.410 6.095 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.220 -5.195 7.835 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.326 -6.927 7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.759 -6.063 8.045 1.00 0.00 H new ATOM 508 N GLN A 33 9.122 -7.388 4.386 1.00 0.00 N ATOM 509 CA GLN A 33 10.086 -8.201 3.637 1.00 0.00 C ATOM 510 C GLN A 33 11.158 -8.752 4.573 1.00 0.00 C ATOM 511 O GLN A 33 11.534 -9.913 4.491 1.00 0.00 O ATOM 512 CB GLN A 33 10.740 -7.368 2.535 1.00 0.00 C ATOM 513 CG GLN A 33 9.784 -6.929 1.440 1.00 0.00 C ATOM 514 CD GLN A 33 9.277 -8.081 0.593 1.00 0.00 C ATOM 515 OE1 GLN A 33 8.205 -8.710 1.004 1.00 0.00 O flip ATOM 516 NE2 GLN A 33 9.869 -8.424 -0.422 1.00 0.00 N flip ATOM 0 H GLN A 33 9.064 -6.419 4.072 1.00 0.00 H new ATOM 0 HA GLN A 33 9.552 -9.035 3.182 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.193 -6.484 2.983 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.547 -7.947 2.087 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.934 -6.417 1.892 1.00 0.00 H new ATOM 0 HG3 GLN A 33 10.286 -6.206 0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.702 -7.918 -0.722 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.529 -9.216 -0.968 1.00 0.00 H new ATOM 525 N SER A 34 11.599 -7.921 5.489 1.00 0.00 N ATOM 526 CA SER A 34 12.614 -8.291 6.452 1.00 0.00 C ATOM 527 C SER A 34 12.073 -9.298 7.485 1.00 0.00 C ATOM 528 O SER A 34 12.824 -10.121 8.016 1.00 0.00 O ATOM 529 CB SER A 34 13.134 -7.033 7.139 1.00 0.00 C ATOM 530 OG SER A 34 13.581 -6.093 6.164 1.00 0.00 O ATOM 0 H SER A 34 11.263 -6.963 5.589 1.00 0.00 H new ATOM 0 HA SER A 34 13.433 -8.783 5.927 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.347 -6.590 7.749 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.953 -7.288 7.812 1.00 0.00 H new ATOM 0 HG SER A 34 12.806 -5.682 5.727 1.00 0.00 H new ATOM 536 N GLN A 35 10.774 -9.246 7.742 1.00 0.00 N ATOM 537 CA GLN A 35 10.150 -10.145 8.700 1.00 0.00 C ATOM 538 C GLN A 35 10.000 -11.545 8.136 1.00 0.00 C ATOM 539 O GLN A 35 10.240 -12.527 8.832 1.00 0.00 O ATOM 540 CB GLN A 35 8.787 -9.624 9.174 1.00 0.00 C ATOM 541 CG GLN A 35 8.845 -8.306 9.929 1.00 0.00 C ATOM 542 CD GLN A 35 9.746 -8.358 11.148 1.00 0.00 C ATOM 543 OE1 GLN A 35 9.916 -9.407 11.778 1.00 0.00 O ATOM 544 NE2 GLN A 35 10.322 -7.240 11.491 1.00 0.00 N ATOM 0 H GLN A 35 10.131 -8.589 7.299 1.00 0.00 H new ATOM 0 HA GLN A 35 10.816 -10.186 9.561 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.137 -9.504 8.308 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.328 -10.376 9.816 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.198 -7.524 9.257 1.00 0.00 H new ATOM 0 HG3 GLN A 35 7.838 -8.028 10.240 1.00 0.00 H new ATOM 0 HE21 GLN A 35 10.158 -6.394 10.946 1.00 0.00 H new ATOM 0 HE22 GLN A 35 10.937 -7.212 12.304 1.00 0.00 H new ATOM 553 N ARG A 36 9.627 -11.645 6.873 1.00 0.00 N ATOM 554 CA ARG A 36 9.424 -12.951 6.266 1.00 0.00 C ATOM 555 C ARG A 36 10.690 -13.506 5.615 1.00 0.00 C ATOM 556 O ARG A 36 10.696 -14.629 5.122 1.00 0.00 O ATOM 557 CB ARG A 36 8.242 -12.950 5.287 1.00 0.00 C ATOM 558 CG ARG A 36 6.888 -12.719 5.961 1.00 0.00 C ATOM 559 CD ARG A 36 5.729 -12.858 4.976 1.00 0.00 C ATOM 560 NE ARG A 36 5.696 -14.197 4.355 1.00 0.00 N ATOM 561 CZ ARG A 36 4.681 -14.720 3.644 1.00 0.00 C ATOM 562 NH1 ARG A 36 3.540 -14.046 3.480 1.00 0.00 N ATOM 563 NH2 ARG A 36 4.814 -15.930 3.110 1.00 0.00 N ATOM 0 H ARG A 36 9.460 -10.852 6.254 1.00 0.00 H new ATOM 0 HA ARG A 36 9.174 -13.628 7.083 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.402 -12.175 4.538 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.218 -13.903 4.759 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.761 -13.434 6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.869 -11.724 6.405 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.788 -12.674 5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.819 -12.099 4.199 1.00 0.00 H new ATOM 0 HE ARG A 36 6.523 -14.782 4.477 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.429 -13.122 3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.779 -14.456 2.938 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.680 -16.453 3.241 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.050 -16.336 2.569 1.00 0.00 H new ATOM 577 N GLY A 37 11.745 -12.713 5.585 1.00 0.00 N ATOM 578 CA GLY A 37 13.019 -13.171 5.049 1.00 0.00 C ATOM 579 C GLY A 37 13.109 -12.967 3.557 1.00 0.00 C ATOM 580 O GLY A 37 14.031 -12.309 3.054 1.00 0.00 O ATOM 0 H GLY A 37 11.748 -11.751 5.924 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.832 -12.635 5.538 1.00 0.00 H new ATOM 0 HA3 GLY A 37 13.150 -14.228 5.279 1.00 0.00 H new ATOM 584 N ASP A 38 12.174 -13.541 2.859 1.00 0.00 N ATOM 585 CA ASP A 38 12.040 -13.402 1.454 1.00 0.00 C ATOM 586 C ASP A 38 10.579 -13.399 1.130 1.00 0.00 C ATOM 587 O ASP A 38 9.745 -13.783 1.973 1.00 0.00 O ATOM 588 CB ASP A 38 12.755 -14.524 0.673 1.00 0.00 C ATOM 589 CG ASP A 38 12.239 -15.937 0.923 1.00 0.00 C ATOM 590 OD1 ASP A 38 11.263 -16.358 0.265 1.00 0.00 O ATOM 591 OD2 ASP A 38 12.829 -16.663 1.754 1.00 0.00 O ATOM 0 H ASP A 38 11.461 -14.140 3.276 1.00 0.00 H new ATOM 0 HA ASP A 38 12.514 -12.469 1.150 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.671 -14.310 -0.392 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.816 -14.495 0.922 1.00 0.00 H new ATOM 596 N TYR A 39 10.258 -12.950 -0.035 1.00 0.00 N ATOM 597 CA TYR A 39 8.921 -12.904 -0.498 1.00 0.00 C ATOM 598 C TYR A 39 9.000 -12.965 -2.018 1.00 0.00 C ATOM 599 O TYR A 39 10.068 -13.272 -2.559 1.00 0.00 O ATOM 600 CB TYR A 39 8.293 -11.581 -0.050 1.00 0.00 C ATOM 601 CG TYR A 39 6.782 -11.596 0.029 1.00 0.00 C ATOM 602 CD1 TYR A 39 6.154 -12.097 1.146 1.00 0.00 C ATOM 603 CD2 TYR A 39 5.994 -11.129 -1.008 1.00 0.00 C ATOM 604 CE1 TYR A 39 4.783 -12.129 1.234 1.00 0.00 C ATOM 605 CE2 TYR A 39 4.624 -11.163 -0.930 1.00 0.00 C ATOM 606 CZ TYR A 39 4.024 -11.661 0.193 1.00 0.00 C ATOM 607 OH TYR A 39 2.653 -11.689 0.278 1.00 0.00 O ATOM 0 H TYR A 39 10.939 -12.596 -0.707 1.00 0.00 H new ATOM 0 HA TYR A 39 8.315 -13.722 -0.107 1.00 0.00 H new ATOM 0 HB2 TYR A 39 8.692 -11.318 0.929 1.00 0.00 H new ATOM 0 HB3 TYR A 39 8.600 -10.796 -0.741 1.00 0.00 H new ATOM 0 HD1 TYR A 39 6.748 -12.471 1.967 1.00 0.00 H new ATOM 0 HD2 TYR A 39 6.465 -10.731 -1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 39 4.306 -12.521 2.120 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.024 -10.799 -1.751 1.00 0.00 H new ATOM 0 HH TYR A 39 2.381 -11.599 1.215 1.00 0.00 H new ATOM 617 N ASN A 40 7.900 -12.744 -2.681 1.00 0.00 N ATOM 618 CA ASN A 40 7.848 -12.608 -4.131 1.00 0.00 C ATOM 619 C ASN A 40 8.748 -11.448 -4.582 1.00 0.00 C ATOM 620 O ASN A 40 9.501 -11.567 -5.547 1.00 0.00 O ATOM 621 CB ASN A 40 6.398 -12.360 -4.571 1.00 0.00 C ATOM 622 CG ASN A 40 6.265 -12.068 -6.051 1.00 0.00 C ATOM 623 OD1 ASN A 40 6.334 -10.913 -6.470 1.00 0.00 O ATOM 624 ND2 ASN A 40 6.052 -13.081 -6.840 1.00 0.00 N ATOM 0 H ASN A 40 6.990 -12.650 -2.231 1.00 0.00 H new ATOM 0 HA ASN A 40 8.208 -13.527 -4.594 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.796 -13.234 -4.324 1.00 0.00 H new ATOM 0 HB3 ASN A 40 5.991 -11.523 -4.004 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.936 -12.931 -7.842 1.00 0.00 H new ATOM 0 HD22 ASN A 40 6.001 -14.025 -6.456 1.00 0.00 H new ATOM 631 N GLY A 41 8.639 -10.322 -3.893 1.00 0.00 N ATOM 632 CA GLY A 41 9.507 -9.194 -4.159 1.00 0.00 C ATOM 633 C GLY A 41 8.870 -8.164 -5.055 1.00 0.00 C ATOM 634 O GLY A 41 8.998 -6.964 -4.827 1.00 0.00 O ATOM 0 H GLY A 41 7.959 -10.169 -3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 41 9.785 -8.725 -3.215 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.427 -9.551 -4.621 1.00 0.00 H new ATOM 638 N LYS A 42 8.168 -8.626 -6.058 1.00 0.00 N ATOM 639 CA LYS A 42 7.533 -7.751 -7.014 1.00 0.00 C ATOM 640 C LYS A 42 6.211 -7.240 -6.444 1.00 0.00 C ATOM 641 O LYS A 42 5.866 -6.059 -6.575 1.00 0.00 O ATOM 642 CB LYS A 42 7.336 -8.506 -8.338 1.00 0.00 C ATOM 643 CG LYS A 42 6.716 -7.697 -9.468 1.00 0.00 C ATOM 644 CD LYS A 42 6.650 -8.504 -10.765 1.00 0.00 C ATOM 645 CE LYS A 42 8.043 -8.857 -11.292 1.00 0.00 C ATOM 646 NZ LYS A 42 7.992 -9.649 -12.543 1.00 0.00 N ATOM 0 H LYS A 42 8.020 -9.619 -6.236 1.00 0.00 H new ATOM 0 HA LYS A 42 8.162 -6.883 -7.212 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.305 -8.879 -8.671 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.707 -9.376 -8.150 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.712 -7.382 -9.183 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.300 -6.791 -9.631 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.084 -9.420 -10.594 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.111 -7.933 -11.520 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.604 -7.940 -11.469 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.584 -9.420 -10.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 8.960 -9.862 -12.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 7.480 -10.538 -12.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.500 -9.104 -13.279 1.00 0.00 H new ATOM 660 N VAL A 43 5.488 -8.124 -5.805 1.00 0.00 N ATOM 661 CA VAL A 43 4.237 -7.781 -5.170 1.00 0.00 C ATOM 662 C VAL A 43 4.240 -8.265 -3.723 1.00 0.00 C ATOM 663 O VAL A 43 5.057 -9.117 -3.349 1.00 0.00 O ATOM 664 CB VAL A 43 3.002 -8.363 -5.929 1.00 0.00 C ATOM 665 CG1 VAL A 43 2.884 -7.776 -7.331 1.00 0.00 C ATOM 666 CG2 VAL A 43 3.056 -9.886 -5.993 1.00 0.00 C ATOM 0 H VAL A 43 5.749 -9.105 -5.709 1.00 0.00 H new ATOM 0 HA VAL A 43 4.146 -6.695 -5.197 1.00 0.00 H new ATOM 0 HB VAL A 43 2.114 -8.077 -5.365 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.015 -8.202 -7.832 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.770 -6.694 -7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.783 -8.012 -7.901 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.182 -10.259 -6.527 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.961 -10.196 -6.516 1.00 0.00 H new ATOM 0 HG23 VAL A 43 3.064 -10.293 -4.982 1.00 0.00 H new ATOM 676 N LEU A 44 3.367 -7.702 -2.923 1.00 0.00 N ATOM 677 CA LEU A 44 3.215 -8.047 -1.528 1.00 0.00 C ATOM 678 C LEU A 44 1.734 -8.176 -1.200 1.00 0.00 C ATOM 679 O LEU A 44 0.990 -7.224 -1.370 1.00 0.00 O ATOM 680 CB LEU A 44 3.844 -6.935 -0.662 1.00 0.00 C ATOM 681 CG LEU A 44 3.767 -7.100 0.866 1.00 0.00 C ATOM 682 CD1 LEU A 44 4.558 -8.304 1.331 1.00 0.00 C ATOM 683 CD2 LEU A 44 4.257 -5.841 1.564 1.00 0.00 C ATOM 0 H LEU A 44 2.725 -6.972 -3.231 1.00 0.00 H new ATOM 0 HA LEU A 44 3.714 -8.994 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 44 4.894 -6.846 -0.939 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.364 -5.992 -0.924 1.00 0.00 H new ATOM 0 HG LEU A 44 2.722 -7.263 1.131 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.483 -8.392 2.415 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.158 -9.204 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.604 -8.184 1.048 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.195 -5.976 2.644 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.292 -5.647 1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.636 -4.996 1.268 1.00 0.00 H new ATOM 695 N SER A 45 1.296 -9.340 -0.780 1.00 0.00 N ATOM 696 CA SER A 45 -0.086 -9.500 -0.385 1.00 0.00 C ATOM 697 C SER A 45 -0.241 -8.966 1.035 1.00 0.00 C ATOM 698 O SER A 45 0.472 -9.395 1.960 1.00 0.00 O ATOM 699 CB SER A 45 -0.527 -10.980 -0.478 1.00 0.00 C ATOM 700 OG SER A 45 -1.923 -11.147 -0.187 1.00 0.00 O ATOM 0 H SER A 45 1.868 -10.181 -0.703 1.00 0.00 H new ATOM 0 HA SER A 45 -0.730 -8.939 -1.062 1.00 0.00 H new ATOM 0 HB2 SER A 45 -0.318 -11.358 -1.479 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.062 -11.578 0.218 1.00 0.00 H new ATOM 0 HG SER A 45 -2.161 -12.095 -0.258 1.00 0.00 H new ATOM 706 N ILE A 46 -1.120 -8.016 1.197 1.00 0.00 N ATOM 707 CA ILE A 46 -1.353 -7.391 2.471 1.00 0.00 C ATOM 708 C ILE A 46 -2.795 -7.630 2.881 1.00 0.00 C ATOM 709 O ILE A 46 -3.595 -8.143 2.088 1.00 0.00 O ATOM 710 CB ILE A 46 -1.067 -5.854 2.432 1.00 0.00 C ATOM 711 CG1 ILE A 46 -1.995 -5.135 1.429 1.00 0.00 C ATOM 712 CG2 ILE A 46 0.400 -5.585 2.103 1.00 0.00 C ATOM 713 CD1 ILE A 46 -1.852 -3.621 1.416 1.00 0.00 C ATOM 0 H ILE A 46 -1.700 -7.650 0.442 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.669 -7.833 3.196 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.275 -5.452 3.423 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.792 -5.516 0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.029 -5.388 1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.577 -4.510 2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 46 1.033 -6.041 2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.639 -6.012 1.129 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.539 -3.197 0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -2.085 -3.225 2.405 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.829 -3.354 1.150 1.00 0.00 H new ATOM 725 N ARG A 47 -3.129 -7.301 4.092 1.00 0.00 N ATOM 726 CA ARG A 47 -4.484 -7.443 4.551 1.00 0.00 C ATOM 727 C ARG A 47 -5.118 -6.071 4.618 1.00 0.00 C ATOM 728 O ARG A 47 -4.439 -5.053 4.401 1.00 0.00 O ATOM 729 CB ARG A 47 -4.520 -8.099 5.925 1.00 0.00 C ATOM 730 CG ARG A 47 -3.788 -9.422 6.018 1.00 0.00 C ATOM 731 CD ARG A 47 -4.320 -10.461 5.044 1.00 0.00 C ATOM 732 NE ARG A 47 -3.595 -11.719 5.200 1.00 0.00 N ATOM 733 CZ ARG A 47 -3.089 -12.472 4.216 1.00 0.00 C ATOM 734 NH1 ARG A 47 -3.325 -12.182 2.925 1.00 0.00 N ATOM 735 NH2 ARG A 47 -2.350 -13.526 4.525 1.00 0.00 N ATOM 0 H ARG A 47 -2.480 -6.930 4.786 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.036 -8.078 3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.090 -7.410 6.652 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.560 -8.255 6.210 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.728 -9.259 5.825 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.872 -9.807 7.034 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.384 -10.622 5.219 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.216 -10.098 4.022 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.461 -12.057 6.153 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.899 -11.375 2.680 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -2.930 -12.769 2.190 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.173 -13.755 5.503 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.958 -14.109 3.785 1.00 0.00 H new ATOM 749 N GLN A 48 -6.396 -6.023 4.935 1.00 0.00 N ATOM 750 CA GLN A 48 -7.117 -4.757 5.008 1.00 0.00 C ATOM 751 C GLN A 48 -6.603 -3.877 6.146 1.00 0.00 C ATOM 752 O GLN A 48 -6.633 -2.655 6.060 1.00 0.00 O ATOM 753 CB GLN A 48 -8.642 -4.978 5.071 1.00 0.00 C ATOM 754 CG GLN A 48 -9.112 -5.857 6.215 1.00 0.00 C ATOM 755 CD GLN A 48 -10.582 -6.192 6.131 1.00 0.00 C ATOM 756 OE1 GLN A 48 -11.428 -5.482 6.677 1.00 0.00 O ATOM 757 NE2 GLN A 48 -10.897 -7.263 5.455 1.00 0.00 N ATOM 0 H GLN A 48 -6.962 -6.844 5.147 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.919 -4.211 4.085 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -9.132 -4.008 5.152 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -8.969 -5.423 4.131 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.533 -6.781 6.219 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -8.913 -5.352 7.160 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -10.166 -7.824 5.018 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -11.875 -7.539 5.364 1.00 0.00 H new ATOM 766 N ASP A 49 -6.084 -4.501 7.187 1.00 0.00 N ATOM 767 CA ASP A 49 -5.527 -3.750 8.301 1.00 0.00 C ATOM 768 C ASP A 49 -4.180 -3.166 7.952 1.00 0.00 C ATOM 769 O ASP A 49 -3.828 -2.095 8.432 1.00 0.00 O ATOM 770 CB ASP A 49 -5.458 -4.559 9.594 1.00 0.00 C ATOM 771 CG ASP A 49 -6.821 -4.856 10.161 1.00 0.00 C ATOM 772 OD1 ASP A 49 -7.565 -3.908 10.454 1.00 0.00 O ATOM 773 OD2 ASP A 49 -7.188 -6.047 10.297 1.00 0.00 O ATOM 0 H ASP A 49 -6.036 -5.515 7.286 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.218 -2.928 8.488 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.934 -5.496 9.405 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.873 -4.010 10.332 1.00 0.00 H new ATOM 778 N ASP A 50 -3.428 -3.850 7.089 1.00 0.00 N ATOM 779 CA ASP A 50 -2.124 -3.328 6.606 1.00 0.00 C ATOM 780 C ASP A 50 -2.363 -2.025 5.892 1.00 0.00 C ATOM 781 O ASP A 50 -1.692 -1.025 6.135 1.00 0.00 O ATOM 782 CB ASP A 50 -1.450 -4.286 5.617 1.00 0.00 C ATOM 783 CG ASP A 50 -0.935 -5.564 6.222 1.00 0.00 C ATOM 784 OD1 ASP A 50 -1.712 -6.517 6.371 1.00 0.00 O ATOM 785 OD2 ASP A 50 0.269 -5.656 6.523 1.00 0.00 O ATOM 0 H ASP A 50 -3.686 -4.760 6.706 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.473 -3.208 7.472 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.164 -4.535 4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.619 -3.767 5.140 1.00 0.00 H new ATOM 790 N LEU A 51 -3.370 -2.056 5.044 1.00 0.00 N ATOM 791 CA LEU A 51 -3.821 -0.926 4.256 1.00 0.00 C ATOM 792 C LEU A 51 -4.170 0.261 5.171 1.00 0.00 C ATOM 793 O LEU A 51 -3.742 1.395 4.941 1.00 0.00 O ATOM 794 CB LEU A 51 -5.044 -1.382 3.458 1.00 0.00 C ATOM 795 CG LEU A 51 -5.710 -0.371 2.539 1.00 0.00 C ATOM 796 CD1 LEU A 51 -4.750 0.087 1.459 1.00 0.00 C ATOM 797 CD2 LEU A 51 -6.945 -0.991 1.920 1.00 0.00 C ATOM 0 H LEU A 51 -3.918 -2.900 4.878 1.00 0.00 H new ATOM 0 HA LEU A 51 -3.036 -0.590 3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.748 -2.240 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.793 -1.735 4.167 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.999 0.503 3.123 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.248 0.810 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.878 0.552 1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.433 -0.771 0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.424 -0.267 1.261 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.661 -1.873 1.346 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.641 -1.280 2.708 1.00 0.00 H new ATOM 809 N ARG A 52 -4.917 -0.028 6.227 1.00 0.00 N ATOM 810 CA ARG A 52 -5.307 0.981 7.212 1.00 0.00 C ATOM 811 C ARG A 52 -4.091 1.536 7.944 1.00 0.00 C ATOM 812 O ARG A 52 -4.001 2.735 8.171 1.00 0.00 O ATOM 813 CB ARG A 52 -6.292 0.391 8.217 1.00 0.00 C ATOM 814 CG ARG A 52 -7.588 -0.067 7.596 1.00 0.00 C ATOM 815 CD ARG A 52 -8.461 -0.807 8.590 1.00 0.00 C ATOM 816 NE ARG A 52 -9.684 -1.274 7.948 1.00 0.00 N ATOM 817 CZ ARG A 52 -10.178 -2.512 8.027 1.00 0.00 C ATOM 818 NH1 ARG A 52 -9.601 -3.432 8.798 1.00 0.00 N ATOM 819 NH2 ARG A 52 -11.260 -2.826 7.335 1.00 0.00 N ATOM 0 H ARG A 52 -5.271 -0.963 6.428 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.788 1.799 6.677 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -5.822 -0.454 8.721 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -6.509 1.137 8.981 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.130 0.796 7.209 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -7.374 -0.716 6.747 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -7.914 -1.654 9.003 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.709 -0.151 9.424 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.207 -0.598 7.391 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.769 -3.195 9.339 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.991 -4.373 8.847 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -11.710 -2.125 6.747 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -11.644 -3.769 7.389 1.00 0.00 H new ATOM 833 N THR A 53 -3.146 0.659 8.264 1.00 0.00 N ATOM 834 CA THR A 53 -1.934 1.035 8.989 1.00 0.00 C ATOM 835 C THR A 53 -1.121 2.067 8.188 1.00 0.00 C ATOM 836 O THR A 53 -0.570 3.013 8.749 1.00 0.00 O ATOM 837 CB THR A 53 -1.059 -0.213 9.300 1.00 0.00 C ATOM 838 OG1 THR A 53 -1.870 -1.215 9.951 1.00 0.00 O ATOM 839 CG2 THR A 53 0.101 0.149 10.224 1.00 0.00 C ATOM 0 H THR A 53 -3.197 -0.332 8.029 1.00 0.00 H new ATOM 0 HA THR A 53 -2.237 1.485 9.934 1.00 0.00 H new ATOM 0 HB THR A 53 -0.659 -0.593 8.360 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.397 -1.696 9.279 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.697 -0.741 10.426 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.726 0.903 9.745 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.290 0.544 11.162 1.00 0.00 H new ATOM 847 N LEU A 54 -1.112 1.908 6.871 1.00 0.00 N ATOM 848 CA LEU A 54 -0.408 2.823 5.974 1.00 0.00 C ATOM 849 C LEU A 54 -1.000 4.230 6.057 1.00 0.00 C ATOM 850 O LEU A 54 -0.283 5.235 5.984 1.00 0.00 O ATOM 851 CB LEU A 54 -0.466 2.293 4.542 1.00 0.00 C ATOM 852 CG LEU A 54 0.181 0.924 4.314 1.00 0.00 C ATOM 853 CD1 LEU A 54 -0.049 0.448 2.893 1.00 0.00 C ATOM 854 CD2 LEU A 54 1.668 0.986 4.619 1.00 0.00 C ATOM 0 H LEU A 54 -1.590 1.144 6.393 1.00 0.00 H new ATOM 0 HA LEU A 54 0.635 2.883 6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.511 2.236 4.237 1.00 0.00 H new ATOM 0 HB3 LEU A 54 0.018 3.017 3.886 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.285 0.208 4.991 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.420 -0.526 2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.120 0.365 2.706 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.387 1.162 2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.115 0.006 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.143 1.717 3.965 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.814 1.280 5.658 1.00 0.00 H new ATOM 866 N ALA A 55 -2.300 4.294 6.257 1.00 0.00 N ATOM 867 CA ALA A 55 -2.993 5.555 6.403 1.00 0.00 C ATOM 868 C ALA A 55 -2.669 6.177 7.753 1.00 0.00 C ATOM 869 O ALA A 55 -2.560 7.398 7.880 1.00 0.00 O ATOM 870 CB ALA A 55 -4.489 5.356 6.263 1.00 0.00 C ATOM 0 H ALA A 55 -2.904 3.475 6.323 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.658 6.230 5.615 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.996 6.315 6.375 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.710 4.942 5.279 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.838 4.668 7.033 1.00 0.00 H new ATOM 876 N VAL A 56 -2.461 5.324 8.746 1.00 0.00 N ATOM 877 CA VAL A 56 -2.168 5.756 10.106 1.00 0.00 C ATOM 878 C VAL A 56 -0.793 6.421 10.151 1.00 0.00 C ATOM 879 O VAL A 56 -0.591 7.394 10.896 1.00 0.00 O ATOM 880 CB VAL A 56 -2.224 4.572 11.129 1.00 0.00 C ATOM 881 CG1 VAL A 56 -1.953 5.051 12.545 1.00 0.00 C ATOM 882 CG2 VAL A 56 -3.574 3.879 11.080 1.00 0.00 C ATOM 0 H VAL A 56 -2.491 4.311 8.631 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.937 6.472 10.397 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.446 3.863 10.845 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.999 4.205 13.230 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.962 5.503 12.593 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.703 5.789 12.829 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -3.589 3.060 11.799 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.359 4.594 11.327 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.745 3.485 10.078 1.00 0.00 H new ATOM 892 N ILE A 57 0.130 5.926 9.307 1.00 0.00 N ATOM 893 CA ILE A 57 1.495 6.470 9.202 1.00 0.00 C ATOM 894 C ILE A 57 1.432 7.955 8.882 1.00 0.00 C ATOM 895 O ILE A 57 2.072 8.785 9.536 1.00 0.00 O ATOM 896 CB ILE A 57 2.336 5.789 8.062 1.00 0.00 C ATOM 897 CG1 ILE A 57 2.315 4.269 8.203 1.00 0.00 C ATOM 898 CG2 ILE A 57 3.781 6.293 8.104 1.00 0.00 C ATOM 899 CD1 ILE A 57 3.125 3.528 7.150 1.00 0.00 C ATOM 0 H ILE A 57 -0.049 5.141 8.681 1.00 0.00 H new ATOM 0 HA ILE A 57 1.975 6.277 10.161 1.00 0.00 H new ATOM 0 HB ILE A 57 1.888 6.053 7.104 1.00 0.00 H new ATOM 0 HG12 ILE A 57 2.695 4.003 9.189 1.00 0.00 H new ATOM 0 HG13 ILE A 57 1.281 3.926 8.156 1.00 0.00 H new ATOM 0 HG21 ILE A 57 4.356 5.816 7.311 1.00 0.00 H new ATOM 0 HG22 ILE A 57 3.794 7.374 7.962 1.00 0.00 H new ATOM 0 HG23 ILE A 57 4.223 6.049 9.070 1.00 0.00 H new ATOM 0 HD11 ILE A 57 3.055 2.455 7.326 1.00 0.00 H new ATOM 0 HD12 ILE A 57 2.733 3.760 6.160 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.168 3.838 7.209 1.00 0.00 H new ATOM 911 N TYR A 58 0.601 8.289 7.921 1.00 0.00 N ATOM 912 CA TYR A 58 0.524 9.653 7.423 1.00 0.00 C ATOM 913 C TYR A 58 -0.554 10.434 8.146 1.00 0.00 C ATOM 914 O TYR A 58 -0.708 11.630 7.927 1.00 0.00 O ATOM 915 CB TYR A 58 0.223 9.655 5.923 1.00 0.00 C ATOM 916 CG TYR A 58 1.123 8.767 5.084 1.00 0.00 C ATOM 917 CD1 TYR A 58 2.445 8.508 5.441 1.00 0.00 C ATOM 918 CD2 TYR A 58 0.640 8.173 3.935 1.00 0.00 C ATOM 919 CE1 TYR A 58 3.237 7.691 4.670 1.00 0.00 C ATOM 920 CE2 TYR A 58 1.443 7.367 3.165 1.00 0.00 C ATOM 921 CZ TYR A 58 2.738 7.134 3.547 1.00 0.00 C ATOM 922 OH TYR A 58 3.549 6.370 2.779 1.00 0.00 O ATOM 0 H TYR A 58 -0.035 7.636 7.464 1.00 0.00 H new ATOM 0 HA TYR A 58 1.488 10.128 7.604 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -0.810 9.341 5.775 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.302 10.678 5.554 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.853 8.955 6.336 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.384 8.344 3.637 1.00 0.00 H new ATOM 0 HE1 TYR A 58 4.258 7.495 4.963 1.00 0.00 H new ATOM 0 HE2 TYR A 58 1.055 6.919 2.262 1.00 0.00 H new ATOM 0 HH TYR A 58 3.503 6.676 1.849 1.00 0.00 H new ATOM 932 N ASP A 59 -1.273 9.740 9.009 1.00 0.00 N ATOM 933 CA ASP A 59 -2.402 10.283 9.766 1.00 0.00 C ATOM 934 C ASP A 59 -3.490 10.764 8.807 1.00 0.00 C ATOM 935 O ASP A 59 -3.837 11.953 8.720 1.00 0.00 O ATOM 936 CB ASP A 59 -1.966 11.376 10.769 1.00 0.00 C ATOM 937 CG ASP A 59 -3.081 11.801 11.697 1.00 0.00 C ATOM 938 OD1 ASP A 59 -3.458 11.009 12.570 1.00 0.00 O ATOM 939 OD2 ASP A 59 -3.581 12.942 11.585 1.00 0.00 O ATOM 0 H ASP A 59 -1.089 8.758 9.213 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.822 9.483 10.376 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.129 11.006 11.361 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.607 12.245 10.218 1.00 0.00 H new ATOM 944 N GLN A 60 -3.950 9.833 8.009 1.00 0.00 N ATOM 945 CA GLN A 60 -4.987 10.078 7.042 1.00 0.00 C ATOM 946 C GLN A 60 -6.035 9.002 7.147 1.00 0.00 C ATOM 947 O GLN A 60 -5.852 8.015 7.873 1.00 0.00 O ATOM 948 CB GLN A 60 -4.439 10.142 5.603 1.00 0.00 C ATOM 949 CG GLN A 60 -3.523 11.326 5.321 1.00 0.00 C ATOM 950 CD GLN A 60 -3.114 11.404 3.865 1.00 0.00 C ATOM 951 OE1 GLN A 60 -2.013 10.792 3.521 1.00 0.00 O flip ATOM 952 NE2 GLN A 60 -3.783 12.026 3.054 1.00 0.00 N flip ATOM 0 H GLN A 60 -3.609 8.872 8.014 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.426 11.051 7.263 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -3.894 9.221 5.395 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.280 10.178 4.910 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.029 12.249 5.604 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.631 11.248 5.943 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -4.639 12.494 3.351 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -3.486 12.077 2.080 1.00 0.00 H new ATOM 961 N SER A 61 -7.111 9.185 6.444 1.00 0.00 N ATOM 962 CA SER A 61 -8.186 8.250 6.432 1.00 0.00 C ATOM 963 C SER A 61 -7.825 7.059 5.551 1.00 0.00 C ATOM 964 O SER A 61 -7.221 7.233 4.478 1.00 0.00 O ATOM 965 CB SER A 61 -9.461 8.938 5.915 1.00 0.00 C ATOM 966 OG SER A 61 -10.555 8.037 5.844 1.00 0.00 O ATOM 0 H SER A 61 -7.266 10.003 5.854 1.00 0.00 H new ATOM 0 HA SER A 61 -8.368 7.889 7.444 1.00 0.00 H new ATOM 0 HB2 SER A 61 -9.717 9.769 6.572 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.272 9.359 4.927 1.00 0.00 H new ATOM 0 HG SER A 61 -11.347 8.510 5.513 1.00 0.00 H new ATOM 972 N PRO A 62 -8.171 5.828 5.983 1.00 0.00 N ATOM 973 CA PRO A 62 -7.939 4.624 5.191 1.00 0.00 C ATOM 974 C PRO A 62 -8.644 4.721 3.841 1.00 0.00 C ATOM 975 O PRO A 62 -8.154 4.207 2.836 1.00 0.00 O ATOM 976 CB PRO A 62 -8.544 3.492 6.042 1.00 0.00 C ATOM 977 CG PRO A 62 -9.408 4.172 7.050 1.00 0.00 C ATOM 978 CD PRO A 62 -8.788 5.513 7.288 1.00 0.00 C ATOM 0 HA PRO A 62 -6.883 4.464 4.972 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.125 2.805 5.426 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.764 2.904 6.526 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.429 4.274 6.683 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -9.457 3.596 7.974 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.532 6.257 7.573 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.048 5.480 8.087 1.00 0.00 H new ATOM 986 N SER A 63 -9.756 5.449 3.831 1.00 0.00 N ATOM 987 CA SER A 63 -10.563 5.669 2.653 1.00 0.00 C ATOM 988 C SER A 63 -9.718 6.303 1.527 1.00 0.00 C ATOM 989 O SER A 63 -9.601 5.745 0.426 1.00 0.00 O ATOM 990 CB SER A 63 -11.715 6.602 3.031 1.00 0.00 C ATOM 991 OG SER A 63 -12.333 6.168 4.247 1.00 0.00 O ATOM 0 H SER A 63 -10.123 5.909 4.664 1.00 0.00 H new ATOM 0 HA SER A 63 -10.950 4.718 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.343 7.620 3.148 1.00 0.00 H new ATOM 0 HB3 SER A 63 -12.452 6.623 2.229 1.00 0.00 H new ATOM 0 HG SER A 63 -11.940 6.650 5.004 1.00 0.00 H new ATOM 997 N VAL A 64 -9.060 7.421 1.845 1.00 0.00 N ATOM 998 CA VAL A 64 -8.292 8.154 0.846 1.00 0.00 C ATOM 999 C VAL A 64 -7.004 7.431 0.484 1.00 0.00 C ATOM 1000 O VAL A 64 -6.545 7.492 -0.652 1.00 0.00 O ATOM 1001 CB VAL A 64 -8.002 9.633 1.255 1.00 0.00 C ATOM 1002 CG1 VAL A 64 -9.300 10.378 1.485 1.00 0.00 C ATOM 1003 CG2 VAL A 64 -7.103 9.732 2.484 1.00 0.00 C ATOM 0 H VAL A 64 -9.046 7.832 2.778 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.925 8.193 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 64 -7.463 10.097 0.429 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.083 11.408 1.770 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -9.891 10.371 0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.862 9.892 2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -6.932 10.781 2.726 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -7.585 9.238 3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -6.149 9.248 2.277 1.00 0.00 H new ATOM 1013 N LEU A 65 -6.458 6.705 1.442 1.00 0.00 N ATOM 1014 CA LEU A 65 -5.224 5.974 1.238 1.00 0.00 C ATOM 1015 C LEU A 65 -5.466 4.851 0.214 1.00 0.00 C ATOM 1016 O LEU A 65 -4.688 4.672 -0.731 1.00 0.00 O ATOM 1017 CB LEU A 65 -4.729 5.441 2.614 1.00 0.00 C ATOM 1018 CG LEU A 65 -3.285 4.873 2.740 1.00 0.00 C ATOM 1019 CD1 LEU A 65 -3.111 3.544 2.041 1.00 0.00 C ATOM 1020 CD2 LEU A 65 -2.253 5.880 2.246 1.00 0.00 C ATOM 0 H LEU A 65 -6.855 6.606 2.376 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.442 6.616 0.831 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.824 6.255 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.417 4.656 2.927 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.119 4.694 3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.084 3.200 2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.793 2.813 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.330 3.660 0.979 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.254 5.456 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.445 6.114 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -2.321 6.792 2.839 1.00 0.00 H new ATOM 1032 N THR A 66 -6.579 4.155 0.376 1.00 0.00 N ATOM 1033 CA THR A 66 -6.940 3.046 -0.484 1.00 0.00 C ATOM 1034 C THR A 66 -7.167 3.503 -1.939 1.00 0.00 C ATOM 1035 O THR A 66 -6.560 2.956 -2.877 1.00 0.00 O ATOM 1036 CB THR A 66 -8.208 2.346 0.054 1.00 0.00 C ATOM 1037 OG1 THR A 66 -8.002 1.974 1.427 1.00 0.00 O ATOM 1038 CG2 THR A 66 -8.540 1.104 -0.762 1.00 0.00 C ATOM 0 H THR A 66 -7.259 4.346 1.112 1.00 0.00 H new ATOM 0 HA THR A 66 -6.108 2.342 -0.482 1.00 0.00 H new ATOM 0 HB THR A 66 -9.043 3.042 -0.026 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.353 2.677 2.013 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.437 0.633 -0.359 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.713 1.386 -1.800 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.708 0.402 -0.711 1.00 0.00 H new ATOM 1046 N GLU A 67 -7.993 4.538 -2.118 1.00 0.00 N ATOM 1047 CA GLU A 67 -8.331 5.024 -3.455 1.00 0.00 C ATOM 1048 C GLU A 67 -7.104 5.571 -4.183 1.00 0.00 C ATOM 1049 O GLU A 67 -6.993 5.451 -5.409 1.00 0.00 O ATOM 1050 CB GLU A 67 -9.462 6.061 -3.414 1.00 0.00 C ATOM 1051 CG GLU A 67 -9.172 7.268 -2.546 1.00 0.00 C ATOM 1052 CD GLU A 67 -10.264 8.295 -2.598 1.00 0.00 C ATOM 1053 OE1 GLU A 67 -11.308 8.107 -1.940 1.00 0.00 O ATOM 1054 OE2 GLU A 67 -10.108 9.316 -3.310 1.00 0.00 O ATOM 0 H GLU A 67 -8.437 5.052 -1.357 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.694 4.167 -4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.665 6.400 -4.430 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.369 5.577 -3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.033 6.944 -1.515 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.235 7.724 -2.866 1.00 0.00 H new ATOM 1061 N GLN A 68 -6.173 6.142 -3.437 1.00 0.00 N ATOM 1062 CA GLN A 68 -4.952 6.618 -4.020 1.00 0.00 C ATOM 1063 C GLN A 68 -4.112 5.479 -4.546 1.00 0.00 C ATOM 1064 O GLN A 68 -3.709 5.500 -5.702 1.00 0.00 O ATOM 1065 CB GLN A 68 -4.164 7.491 -3.060 1.00 0.00 C ATOM 1066 CG GLN A 68 -4.702 8.911 -2.929 1.00 0.00 C ATOM 1067 CD GLN A 68 -4.759 9.629 -4.272 1.00 0.00 C ATOM 1068 OE1 GLN A 68 -3.786 10.253 -4.698 1.00 0.00 O ATOM 1069 NE2 GLN A 68 -5.895 9.578 -4.932 1.00 0.00 N ATOM 0 H GLN A 68 -6.249 6.282 -2.430 1.00 0.00 H new ATOM 0 HA GLN A 68 -5.227 7.246 -4.868 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -4.163 7.022 -2.076 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.127 7.536 -3.393 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.700 8.881 -2.492 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.070 9.476 -2.243 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.682 9.052 -4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.989 10.064 -5.824 1.00 0.00 H new ATOM 1078 N LEU A 69 -3.909 4.453 -3.727 1.00 0.00 N ATOM 1079 CA LEU A 69 -3.102 3.296 -4.131 1.00 0.00 C ATOM 1080 C LEU A 69 -3.661 2.637 -5.386 1.00 0.00 C ATOM 1081 O LEU A 69 -2.901 2.221 -6.270 1.00 0.00 O ATOM 1082 CB LEU A 69 -2.999 2.254 -3.022 1.00 0.00 C ATOM 1083 CG LEU A 69 -2.370 2.693 -1.710 1.00 0.00 C ATOM 1084 CD1 LEU A 69 -2.292 1.536 -0.768 1.00 0.00 C ATOM 1085 CD2 LEU A 69 -0.998 3.237 -1.928 1.00 0.00 C ATOM 0 H LEU A 69 -4.288 4.394 -2.782 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.104 3.680 -4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.003 1.888 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.426 1.409 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.996 3.477 -1.285 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.840 1.860 0.169 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.295 1.156 -0.575 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.684 0.747 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.572 3.543 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.369 2.468 -2.376 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.050 4.098 -2.595 1.00 0.00 H new ATOM 1097 N ILE A 70 -4.978 2.551 -5.464 1.00 0.00 N ATOM 1098 CA ILE A 70 -5.646 1.984 -6.629 1.00 0.00 C ATOM 1099 C ILE A 70 -5.389 2.860 -7.862 1.00 0.00 C ATOM 1100 O ILE A 70 -5.060 2.351 -8.933 1.00 0.00 O ATOM 1101 CB ILE A 70 -7.174 1.816 -6.388 1.00 0.00 C ATOM 1102 CG1 ILE A 70 -7.414 0.857 -5.216 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -7.876 1.303 -7.647 1.00 0.00 C ATOM 1104 CD1 ILE A 70 -8.870 0.699 -4.834 1.00 0.00 C ATOM 0 H ILE A 70 -5.612 2.868 -4.730 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.231 0.991 -6.804 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.594 2.792 -6.144 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -7.009 -0.122 -5.473 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -6.859 1.214 -4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.943 1.195 -7.450 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.727 2.012 -8.461 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.459 0.336 -7.928 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -8.954 0.005 -3.998 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.277 1.668 -4.544 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.429 0.311 -5.685 1.00 0.00 H new ATOM 1116 N SER A 71 -5.476 4.171 -7.684 1.00 0.00 N ATOM 1117 CA SER A 71 -5.253 5.122 -8.765 1.00 0.00 C ATOM 1118 C SER A 71 -3.795 5.117 -9.248 1.00 0.00 C ATOM 1119 O SER A 71 -3.526 5.336 -10.434 1.00 0.00 O ATOM 1120 CB SER A 71 -5.664 6.522 -8.322 1.00 0.00 C ATOM 1121 OG SER A 71 -7.029 6.532 -7.923 1.00 0.00 O ATOM 0 H SER A 71 -5.702 4.605 -6.789 1.00 0.00 H new ATOM 0 HA SER A 71 -5.871 4.814 -9.608 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.034 6.849 -7.495 1.00 0.00 H new ATOM 0 HB3 SER A 71 -5.511 7.229 -9.138 1.00 0.00 H new ATOM 0 HG SER A 71 -7.113 6.126 -7.035 1.00 0.00 H new ATOM 1127 N TRP A 72 -2.855 4.860 -8.343 1.00 0.00 N ATOM 1128 CA TRP A 72 -1.444 4.823 -8.724 1.00 0.00 C ATOM 1129 C TRP A 72 -1.126 3.503 -9.429 1.00 0.00 C ATOM 1130 O TRP A 72 -0.112 3.380 -10.115 1.00 0.00 O ATOM 1131 CB TRP A 72 -0.521 4.920 -7.505 1.00 0.00 C ATOM 1132 CG TRP A 72 -0.730 6.074 -6.562 1.00 0.00 C ATOM 1133 CD1 TRP A 72 -1.374 7.264 -6.786 1.00 0.00 C ATOM 1134 CD2 TRP A 72 -0.235 6.130 -5.230 1.00 0.00 C ATOM 1135 NE1 TRP A 72 -1.338 8.034 -5.641 1.00 0.00 N ATOM 1136 CE2 TRP A 72 -0.629 7.354 -4.674 1.00 0.00 C ATOM 1137 CE3 TRP A 72 0.500 5.242 -4.452 1.00 0.00 C ATOM 1138 CZ2 TRP A 72 -0.303 7.705 -3.358 1.00 0.00 C ATOM 1139 CZ3 TRP A 72 0.829 5.597 -3.163 1.00 0.00 C ATOM 1140 CH2 TRP A 72 0.429 6.810 -2.625 1.00 0.00 C ATOM 0 H TRP A 72 -3.038 4.677 -7.356 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.273 5.676 -9.380 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -0.621 3.997 -6.934 1.00 0.00 H new ATOM 0 HB3 TRP A 72 0.507 4.962 -7.865 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -1.839 7.554 -7.717 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -1.765 8.953 -5.529 1.00 0.00 H new ATOM 0 HE3 TRP A 72 0.808 4.288 -4.853 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -0.618 8.648 -2.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 1.411 4.916 -2.559 1.00 0.00 H new ATOM 0 HH2 TRP A 72 0.700 7.054 -1.608 1.00 0.00 H new ATOM 1151 N GLY A 73 -2.004 2.531 -9.258 1.00 0.00 N ATOM 1152 CA GLY A 73 -1.797 1.211 -9.828 1.00 0.00 C ATOM 1153 C GLY A 73 -0.939 0.361 -8.918 1.00 0.00 C ATOM 1154 O GLY A 73 -0.323 -0.619 -9.345 1.00 0.00 O ATOM 0 H GLY A 73 -2.870 2.631 -8.728 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.759 0.724 -9.987 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.320 1.302 -10.804 1.00 0.00 H new ATOM 1158 N VAL A 74 -0.894 0.750 -7.655 1.00 0.00 N ATOM 1159 CA VAL A 74 -0.086 0.071 -6.663 1.00 0.00 C ATOM 1160 C VAL A 74 -0.909 -0.983 -5.936 1.00 0.00 C ATOM 1161 O VAL A 74 -0.442 -2.079 -5.682 1.00 0.00 O ATOM 1162 CB VAL A 74 0.538 1.072 -5.649 1.00 0.00 C ATOM 1163 CG1 VAL A 74 1.339 0.350 -4.584 1.00 0.00 C ATOM 1164 CG2 VAL A 74 1.431 2.055 -6.371 1.00 0.00 C ATOM 0 H VAL A 74 -1.418 1.546 -7.291 1.00 0.00 H new ATOM 0 HA VAL A 74 0.734 -0.422 -7.186 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.279 1.606 -5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.762 1.077 -3.891 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.687 -0.334 -4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.145 -0.214 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.862 2.751 -5.652 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.231 1.515 -6.878 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.845 2.608 -7.104 1.00 0.00 H new ATOM 1174 N LEU A 75 -2.132 -0.668 -5.629 1.00 0.00 N ATOM 1175 CA LEU A 75 -2.977 -1.631 -4.969 1.00 0.00 C ATOM 1176 C LEU A 75 -3.773 -2.329 -6.029 1.00 0.00 C ATOM 1177 O LEU A 75 -4.144 -1.698 -7.028 1.00 0.00 O ATOM 1178 CB LEU A 75 -3.909 -0.957 -3.953 1.00 0.00 C ATOM 1179 CG LEU A 75 -4.801 -1.885 -3.111 1.00 0.00 C ATOM 1180 CD1 LEU A 75 -3.957 -2.792 -2.223 1.00 0.00 C ATOM 1181 CD2 LEU A 75 -5.769 -1.071 -2.270 1.00 0.00 C ATOM 0 H LEU A 75 -2.567 0.235 -5.820 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.366 -2.341 -4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.298 -0.363 -3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.554 -0.262 -4.491 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.375 -2.514 -3.792 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.611 -3.439 -1.638 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.303 -3.404 -2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.353 -2.183 -1.551 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.393 -1.743 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.209 -0.416 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.401 -0.469 -2.923 1.00 0.00 H new ATOM 1193 N ASP A 76 -3.971 -3.623 -5.857 1.00 0.00 N ATOM 1194 CA ASP A 76 -4.720 -4.432 -6.812 1.00 0.00 C ATOM 1195 C ASP A 76 -6.089 -3.843 -7.067 1.00 0.00 C ATOM 1196 O ASP A 76 -6.774 -3.409 -6.138 1.00 0.00 O ATOM 1197 CB ASP A 76 -4.877 -5.874 -6.343 1.00 0.00 C ATOM 1198 CG ASP A 76 -5.488 -6.737 -7.423 1.00 0.00 C ATOM 1199 OD1 ASP A 76 -4.757 -7.133 -8.346 1.00 0.00 O ATOM 1200 OD2 ASP A 76 -6.707 -6.998 -7.404 1.00 0.00 O ATOM 0 H ASP A 76 -3.620 -4.146 -5.055 1.00 0.00 H new ATOM 0 HA ASP A 76 -4.143 -4.430 -7.737 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -3.904 -6.275 -6.061 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -5.504 -5.903 -5.452 1.00 0.00 H new ATOM 1205 N ALA A 77 -6.472 -3.837 -8.311 1.00 0.00 N ATOM 1206 CA ALA A 77 -7.716 -3.259 -8.743 1.00 0.00 C ATOM 1207 C ALA A 77 -8.936 -3.911 -8.108 1.00 0.00 C ATOM 1208 O ALA A 77 -9.912 -3.242 -7.846 1.00 0.00 O ATOM 1209 CB ALA A 77 -7.822 -3.335 -10.240 1.00 0.00 C ATOM 0 H ALA A 77 -5.920 -4.240 -9.068 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.708 -2.220 -8.414 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.767 -2.896 -10.561 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -6.995 -2.787 -10.692 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.781 -4.378 -10.555 1.00 0.00 H new ATOM 1215 N ASP A 78 -8.883 -5.197 -7.831 1.00 0.00 N ATOM 1216 CA ASP A 78 -10.062 -5.898 -7.310 1.00 0.00 C ATOM 1217 C ASP A 78 -10.219 -5.668 -5.814 1.00 0.00 C ATOM 1218 O ASP A 78 -11.317 -5.758 -5.265 1.00 0.00 O ATOM 1219 CB ASP A 78 -10.023 -7.390 -7.643 1.00 0.00 C ATOM 1220 CG ASP A 78 -11.331 -8.092 -7.328 1.00 0.00 C ATOM 1221 OD1 ASP A 78 -12.284 -7.963 -8.120 1.00 0.00 O ATOM 1222 OD2 ASP A 78 -11.419 -8.794 -6.307 1.00 0.00 O ATOM 0 H ASP A 78 -8.055 -5.780 -7.952 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.938 -5.479 -7.805 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.792 -7.517 -8.701 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.217 -7.863 -7.082 1.00 0.00 H new ATOM 1227 N ALA A 79 -9.123 -5.274 -5.182 1.00 0.00 N ATOM 1228 CA ALA A 79 -9.040 -5.054 -3.734 1.00 0.00 C ATOM 1229 C ALA A 79 -10.112 -4.092 -3.188 1.00 0.00 C ATOM 1230 O ALA A 79 -10.468 -4.178 -2.013 1.00 0.00 O ATOM 1231 CB ALA A 79 -7.655 -4.573 -3.343 1.00 0.00 C ATOM 0 H ALA A 79 -8.244 -5.093 -5.667 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.236 -6.023 -3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -7.615 -4.416 -2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -6.916 -5.322 -3.628 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -7.438 -3.635 -3.854 1.00 0.00 H new ATOM 1237 N ARG A 80 -10.644 -3.188 -4.035 1.00 0.00 N ATOM 1238 CA ARG A 80 -11.660 -2.218 -3.565 1.00 0.00 C ATOM 1239 C ARG A 80 -12.931 -2.938 -3.071 1.00 0.00 C ATOM 1240 O ARG A 80 -13.667 -2.422 -2.235 1.00 0.00 O ATOM 1241 CB ARG A 80 -12.031 -1.139 -4.629 1.00 0.00 C ATOM 1242 CG ARG A 80 -13.052 -1.543 -5.710 1.00 0.00 C ATOM 1243 CD ARG A 80 -12.542 -2.585 -6.671 1.00 0.00 C ATOM 1244 NE ARG A 80 -13.573 -2.981 -7.635 1.00 0.00 N ATOM 1245 CZ ARG A 80 -13.402 -3.816 -8.668 1.00 0.00 C ATOM 1246 NH1 ARG A 80 -12.193 -4.218 -9.017 1.00 0.00 N ATOM 1247 NH2 ARG A 80 -14.443 -4.188 -9.387 1.00 0.00 N ATOM 0 H ARG A 80 -10.398 -3.107 -5.021 1.00 0.00 H new ATOM 0 HA ARG A 80 -11.198 -1.690 -2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -12.421 -0.266 -4.105 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -11.114 -0.827 -5.129 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -13.951 -1.920 -5.224 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -13.342 -0.655 -6.272 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -11.675 -2.195 -7.204 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -12.207 -3.461 -6.115 1.00 0.00 H new ATOM 0 HE ARG A 80 -14.504 -2.585 -7.508 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -11.378 -3.892 -8.498 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -12.075 -4.854 -9.806 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -15.373 -3.840 -9.155 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -14.318 -4.824 -10.175 1.00 0.00 H new ATOM 1261 N ARG A 81 -13.131 -4.158 -3.553 1.00 0.00 N ATOM 1262 CA ARG A 81 -14.285 -4.977 -3.194 1.00 0.00 C ATOM 1263 C ARG A 81 -14.179 -5.465 -1.735 1.00 0.00 C ATOM 1264 O ARG A 81 -15.140 -5.970 -1.166 1.00 0.00 O ATOM 1265 CB ARG A 81 -14.399 -6.173 -4.155 1.00 0.00 C ATOM 1266 CG ARG A 81 -14.643 -5.803 -5.622 1.00 0.00 C ATOM 1267 CD ARG A 81 -16.079 -5.361 -5.895 1.00 0.00 C ATOM 1268 NE ARG A 81 -17.030 -6.474 -5.734 1.00 0.00 N ATOM 1269 CZ ARG A 81 -18.249 -6.563 -6.311 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -18.715 -5.580 -7.090 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -18.997 -7.638 -6.096 1.00 0.00 N ATOM 0 H ARG A 81 -12.494 -4.611 -4.208 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.184 -4.367 -3.281 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -13.483 -6.760 -4.091 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -15.213 -6.815 -3.817 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -13.962 -5.001 -5.907 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.407 -6.661 -6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -16.347 -4.552 -5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -16.152 -4.964 -6.907 1.00 0.00 H new ATOM 0 HE ARG A 81 -16.743 -7.247 -5.133 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -18.148 -4.748 -7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -19.637 -5.662 -7.518 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -18.651 -8.389 -5.499 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -19.918 -7.713 -6.528 1.00 0.00 H new