USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 639 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 72 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 92 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 51 LYS NZ :NH3+ -141:sc= 0.746 (180deg=0.0951) USER MOD Set 2.2: A 76 LYS NZ :NH3+ 143:sc= 1.11 (180deg=-0.741) USER MOD Single : A 14 HIS : no HE2:sc= -1.15 X(o=-1.2,f=-0.96) USER MOD Single : A 18 LYS NZ :NH3+ -111:sc= -1.57 (180deg=-3.99!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 27 LYS NZ :NH3+ -128:sc= -3.5! (180deg=-7.05!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= -11.6! C(o=-12!,f=-21!) USER MOD Single : A 45 TYR OH : rot 120:sc= 0.13 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.0125 K(o=-0.013,f=-0.65) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot -46:sc= -0.311 USER MOD Single : A 78 LYS NZ :NH3+ -165:sc=-0.00881 (180deg=-0.141) USER MOD Single : A 81 GLN : amide:sc= -3.3 K(o=-3.3,f=-7.4!) USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.466 USER MOD Single : A 86 TYR OH : rot 30:sc= -0.165 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 95 HIS : no HD1:sc= -0.483 X(o=-0.48,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 136 N TRP A 13 -6.589 -12.252 0.160 1.00 0.00 N ATOM 137 CA TRP A 13 -6.286 -11.105 -0.689 1.00 0.00 C ATOM 138 C TRP A 13 -4.827 -10.687 -0.537 1.00 0.00 C ATOM 139 O TRP A 13 -4.360 -10.420 0.570 1.00 0.00 O ATOM 140 CB TRP A 13 -7.205 -9.932 -0.344 1.00 0.00 C ATOM 141 CG TRP A 13 -6.832 -8.660 -1.045 1.00 0.00 C ATOM 142 CD1 TRP A 13 -5.657 -7.975 -0.930 1.00 0.00 C ATOM 143 CD2 TRP A 13 -7.641 -7.922 -1.967 1.00 0.00 C ATOM 144 NE1 TRP A 13 -5.686 -6.855 -1.725 1.00 0.00 N ATOM 145 CE2 TRP A 13 -6.892 -6.800 -2.373 1.00 0.00 C ATOM 146 CE3 TRP A 13 -8.924 -8.100 -2.492 1.00 0.00 C ATOM 147 CZ2 TRP A 13 -7.385 -5.862 -3.276 1.00 0.00 C ATOM 148 CZ3 TRP A 13 -9.412 -7.168 -3.388 1.00 0.00 C ATOM 149 CH2 TRP A 13 -8.644 -6.061 -3.773 1.00 0.00 C ATOM 0 HA TRP A 13 -6.455 -11.396 -1.726 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -8.231 -10.194 -0.604 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -7.181 -9.766 0.733 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -4.827 -8.270 -0.306 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -4.932 -6.175 -1.818 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -9.523 -8.951 -2.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.795 -5.008 -3.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -10.403 -7.295 -3.799 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -9.054 -5.351 -4.476 1.00 0.00 H new ATOM 160 N HIS A 14 -4.113 -10.630 -1.657 1.00 0.00 N ATOM 161 CA HIS A 14 -2.707 -10.242 -1.648 1.00 0.00 C ATOM 162 C HIS A 14 -2.441 -9.140 -2.668 1.00 0.00 C ATOM 163 O HIS A 14 -3.209 -8.955 -3.613 1.00 0.00 O ATOM 164 CB HIS A 14 -1.821 -11.452 -1.944 1.00 0.00 C ATOM 165 CG HIS A 14 -1.713 -11.773 -3.402 1.00 0.00 C ATOM 166 ND1 HIS A 14 -2.390 -12.818 -3.995 1.00 0.00 N ATOM 167 CD2 HIS A 14 -1.002 -11.179 -4.389 1.00 0.00 C ATOM 168 CE1 HIS A 14 -2.099 -12.854 -5.283 1.00 0.00 C ATOM 169 NE2 HIS A 14 -1.259 -11.870 -5.548 1.00 0.00 N ATOM 0 H HIS A 14 -4.485 -10.847 -2.582 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.467 -9.859 -0.656 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -0.823 -11.267 -1.546 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -2.218 -12.320 -1.418 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -3.017 -13.462 -3.514 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -0.354 -10.322 -4.285 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -2.483 -13.567 -5.998 1.00 0.00 H new ATOM 178 N LEU A 15 -1.348 -8.410 -2.472 1.00 0.00 N ATOM 179 CA LEU A 15 -0.981 -7.325 -3.375 1.00 0.00 C ATOM 180 C LEU A 15 0.535 -7.169 -3.451 1.00 0.00 C ATOM 181 O LEU A 15 1.250 -7.496 -2.505 1.00 0.00 O ATOM 182 CB LEU A 15 -1.616 -6.012 -2.913 1.00 0.00 C ATOM 183 CG LEU A 15 -1.881 -4.974 -4.003 1.00 0.00 C ATOM 184 CD1 LEU A 15 -3.086 -5.374 -4.840 1.00 0.00 C ATOM 185 CD2 LEU A 15 -2.090 -3.597 -3.390 1.00 0.00 C ATOM 0 H LEU A 15 -0.701 -8.550 -1.696 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.354 -7.572 -4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.561 -6.242 -2.421 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.967 -5.563 -2.162 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.009 -4.931 -4.655 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.259 -4.623 -5.611 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.898 -6.339 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.965 -5.447 -4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.277 -2.871 -4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.945 -3.626 -2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.198 -3.307 -2.835 1.00 0.00 H new ATOM 197 N ALA A 16 1.017 -6.667 -4.583 1.00 0.00 N ATOM 198 CA ALA A 16 2.447 -6.464 -4.781 1.00 0.00 C ATOM 199 C ALA A 16 2.833 -5.008 -4.541 1.00 0.00 C ATOM 200 O ALA A 16 2.094 -4.092 -4.900 1.00 0.00 O ATOM 201 CB ALA A 16 2.852 -6.896 -6.183 1.00 0.00 C ATOM 0 H ALA A 16 0.438 -6.393 -5.377 1.00 0.00 H new ATOM 0 HA ALA A 16 2.980 -7.078 -4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.922 -6.739 -6.317 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.620 -7.952 -6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.304 -6.307 -6.918 1.00 0.00 H new ATOM 207 N VAL A 17 3.996 -4.803 -3.931 1.00 0.00 N ATOM 208 CA VAL A 17 4.481 -3.458 -3.644 1.00 0.00 C ATOM 209 C VAL A 17 5.877 -3.243 -4.218 1.00 0.00 C ATOM 210 O VAL A 17 6.803 -4.002 -3.930 1.00 0.00 O ATOM 211 CB VAL A 17 4.514 -3.185 -2.128 1.00 0.00 C ATOM 212 CG1 VAL A 17 5.146 -1.832 -1.843 1.00 0.00 C ATOM 213 CG2 VAL A 17 3.111 -3.262 -1.544 1.00 0.00 C ATOM 0 H VAL A 17 4.619 -5.550 -3.626 1.00 0.00 H new ATOM 0 HA VAL A 17 3.786 -2.764 -4.116 1.00 0.00 H new ATOM 0 HB VAL A 17 5.125 -3.951 -1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.161 -1.657 -0.767 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.166 -1.819 -2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 17 4.565 -1.049 -2.330 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.152 -3.067 -0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.476 -2.518 -2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.699 -4.256 -1.716 1.00 0.00 H new ATOM 223 N LYS A 18 6.022 -2.203 -5.032 1.00 0.00 N ATOM 224 CA LYS A 18 7.306 -1.885 -5.646 1.00 0.00 C ATOM 225 C LYS A 18 7.790 -0.505 -5.212 1.00 0.00 C ATOM 226 O LYS A 18 7.015 0.452 -5.174 1.00 0.00 O ATOM 227 CB LYS A 18 7.192 -1.941 -7.171 1.00 0.00 C ATOM 228 CG LYS A 18 7.402 -3.331 -7.746 1.00 0.00 C ATOM 229 CD LYS A 18 8.873 -3.711 -7.765 1.00 0.00 C ATOM 230 CE LYS A 18 9.706 -2.679 -8.510 1.00 0.00 C ATOM 231 NZ LYS A 18 10.207 -1.610 -7.603 1.00 0.00 N ATOM 0 H LYS A 18 5.266 -1.566 -5.282 1.00 0.00 H new ATOM 0 HA LYS A 18 8.033 -2.626 -5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 18 6.207 -1.580 -7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.925 -1.262 -7.607 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.845 -4.058 -7.155 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.002 -3.371 -8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.239 -3.806 -6.743 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.992 -4.686 -8.238 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.551 -3.173 -8.991 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.106 -2.231 -9.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.729 -0.714 -7.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.010 -1.872 -6.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.233 -1.497 -7.733 1.00 0.00 H new ATOM 245 N LEU A 19 9.074 -0.408 -4.888 1.00 0.00 N ATOM 246 CA LEU A 19 9.662 0.856 -4.458 1.00 0.00 C ATOM 247 C LEU A 19 10.027 1.723 -5.659 1.00 0.00 C ATOM 248 O LEU A 19 10.975 1.426 -6.385 1.00 0.00 O ATOM 249 CB LEU A 19 10.904 0.599 -3.603 1.00 0.00 C ATOM 250 CG LEU A 19 11.347 1.751 -2.700 1.00 0.00 C ATOM 251 CD1 LEU A 19 10.271 2.067 -1.673 1.00 0.00 C ATOM 252 CD2 LEU A 19 12.661 1.413 -2.011 1.00 0.00 C ATOM 0 H LEU A 19 9.729 -1.190 -4.915 1.00 0.00 H new ATOM 0 HA LEU A 19 8.922 1.388 -3.861 1.00 0.00 H new ATOM 0 HB2 LEU A 19 10.716 -0.274 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 19 11.731 0.345 -4.266 1.00 0.00 H new ATOM 0 HG LEU A 19 11.501 2.635 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 19 10.603 2.889 -1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 19 9.352 2.352 -2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 19 10.085 1.187 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.961 2.244 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 19 12.534 0.517 -1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 19 13.431 1.236 -2.762 1.00 0.00 H new ATOM 264 N ALA A 20 9.270 2.796 -5.860 1.00 0.00 N ATOM 265 CA ALA A 20 9.517 3.708 -6.970 1.00 0.00 C ATOM 266 C ALA A 20 10.932 4.272 -6.913 1.00 0.00 C ATOM 267 O ALA A 20 11.568 4.487 -7.945 1.00 0.00 O ATOM 268 CB ALA A 20 8.496 4.836 -6.963 1.00 0.00 C ATOM 0 H ALA A 20 8.480 3.055 -5.269 1.00 0.00 H new ATOM 0 HA ALA A 20 9.416 3.147 -7.899 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.692 5.510 -7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.493 4.420 -7.061 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.570 5.388 -6.026 1.00 0.00 H new ATOM 274 N ASP A 21 11.420 4.511 -5.700 1.00 0.00 N ATOM 275 CA ASP A 21 12.761 5.051 -5.508 1.00 0.00 C ATOM 276 C ASP A 21 13.820 4.037 -5.930 1.00 0.00 C ATOM 277 O ASP A 21 14.937 4.407 -6.291 1.00 0.00 O ATOM 278 CB ASP A 21 12.970 5.447 -4.046 1.00 0.00 C ATOM 279 CG ASP A 21 14.428 5.706 -3.719 1.00 0.00 C ATOM 280 OD1 ASP A 21 14.980 6.705 -4.224 1.00 0.00 O ATOM 281 OD2 ASP A 21 15.016 4.909 -2.959 1.00 0.00 O ATOM 0 H ASP A 21 10.907 4.339 -4.835 1.00 0.00 H new ATOM 0 HA ASP A 21 12.862 5.938 -6.134 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.387 6.342 -3.828 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.591 4.655 -3.400 1.00 0.00 H new ATOM 286 N GLN A 22 13.460 2.758 -5.881 1.00 0.00 N ATOM 287 CA GLN A 22 14.381 1.692 -6.257 1.00 0.00 C ATOM 288 C GLN A 22 13.695 0.676 -7.165 1.00 0.00 C ATOM 289 O GLN A 22 13.140 -0.324 -6.710 1.00 0.00 O ATOM 290 CB GLN A 22 14.923 0.994 -5.008 1.00 0.00 C ATOM 291 CG GLN A 22 15.449 1.954 -3.954 1.00 0.00 C ATOM 292 CD GLN A 22 16.363 1.278 -2.952 1.00 0.00 C ATOM 293 OE1 GLN A 22 17.325 0.607 -3.327 1.00 0.00 O ATOM 294 NE2 GLN A 22 16.068 1.452 -1.669 1.00 0.00 N ATOM 0 H GLN A 22 12.539 2.436 -5.585 1.00 0.00 H new ATOM 0 HA GLN A 22 15.211 2.139 -6.804 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.132 0.385 -4.570 1.00 0.00 H new ATOM 0 HB3 GLN A 22 15.724 0.315 -5.300 1.00 0.00 H new ATOM 0 HG2 GLN A 22 15.989 2.764 -4.444 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.608 2.404 -3.427 1.00 0.00 H new ATOM 0 HE21 GLN A 22 15.261 2.016 -1.403 1.00 0.00 H new ATOM 0 HE22 GLN A 22 16.649 1.021 -0.949 1.00 0.00 H new ATOM 303 N PRO A 23 13.734 0.936 -8.480 1.00 0.00 N ATOM 304 CA PRO A 23 13.121 0.056 -9.479 1.00 0.00 C ATOM 305 C PRO A 23 13.865 -1.268 -9.620 1.00 0.00 C ATOM 306 O PRO A 23 13.406 -2.180 -10.309 1.00 0.00 O ATOM 307 CB PRO A 23 13.221 0.866 -10.774 1.00 0.00 C ATOM 308 CG PRO A 23 14.377 1.781 -10.560 1.00 0.00 C ATOM 309 CD PRO A 23 14.379 2.109 -9.093 1.00 0.00 C ATOM 0 HA PRO A 23 12.101 -0.219 -9.209 1.00 0.00 H new ATOM 0 HB2 PRO A 23 13.383 0.218 -11.635 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.304 1.424 -10.964 1.00 0.00 H new ATOM 0 HG2 PRO A 23 15.312 1.304 -10.855 1.00 0.00 H new ATOM 0 HG3 PRO A 23 14.276 2.684 -11.162 1.00 0.00 H new ATOM 0 HD2 PRO A 23 15.391 2.254 -8.715 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.827 3.025 -8.885 1.00 0.00 H new ATOM 317 N LEU A 24 15.016 -1.367 -8.964 1.00 0.00 N ATOM 318 CA LEU A 24 15.824 -2.580 -9.015 1.00 0.00 C ATOM 319 C LEU A 24 15.499 -3.501 -7.844 1.00 0.00 C ATOM 320 O LEU A 24 15.630 -4.721 -7.945 1.00 0.00 O ATOM 321 CB LEU A 24 17.312 -2.226 -9.002 1.00 0.00 C ATOM 322 CG LEU A 24 17.806 -1.358 -10.160 1.00 0.00 C ATOM 323 CD1 LEU A 24 18.972 -0.489 -9.717 1.00 0.00 C ATOM 324 CD2 LEU A 24 18.205 -2.226 -11.345 1.00 0.00 C ATOM 0 H LEU A 24 15.411 -0.622 -8.390 1.00 0.00 H new ATOM 0 HA LEU A 24 15.589 -3.104 -9.941 1.00 0.00 H new ATOM 0 HB2 LEU A 24 17.534 -1.711 -8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 24 17.885 -3.153 -8.999 1.00 0.00 H new ATOM 0 HG LEU A 24 16.991 -0.705 -10.472 1.00 0.00 H new ATOM 0 HD11 LEU A 24 19.310 0.121 -10.555 1.00 0.00 H new ATOM 0 HD12 LEU A 24 18.653 0.159 -8.901 1.00 0.00 H new ATOM 0 HD13 LEU A 24 19.790 -1.124 -9.377 1.00 0.00 H new ATOM 0 HD21 LEU A 24 18.554 -1.591 -12.160 1.00 0.00 H new ATOM 0 HD22 LEU A 24 19.004 -2.905 -11.046 1.00 0.00 H new ATOM 0 HD23 LEU A 24 17.343 -2.804 -11.679 1.00 0.00 H new ATOM 336 N ALA A 25 15.073 -2.909 -6.733 1.00 0.00 N ATOM 337 CA ALA A 25 14.724 -3.677 -5.544 1.00 0.00 C ATOM 338 C ALA A 25 13.625 -4.690 -5.846 1.00 0.00 C ATOM 339 O ALA A 25 12.763 -4.471 -6.697 1.00 0.00 O ATOM 340 CB ALA A 25 14.290 -2.744 -4.422 1.00 0.00 C ATOM 0 H ALA A 25 14.961 -1.900 -6.632 1.00 0.00 H new ATOM 0 HA ALA A 25 15.610 -4.226 -5.224 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.032 -3.331 -3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.106 -2.063 -4.179 1.00 0.00 H new ATOM 0 HB3 ALA A 25 13.421 -2.169 -4.742 1.00 0.00 H new ATOM 346 N PRO A 26 13.656 -5.827 -5.135 1.00 0.00 N ATOM 347 CA PRO A 26 12.669 -6.897 -5.311 1.00 0.00 C ATOM 348 C PRO A 26 11.287 -6.500 -4.803 1.00 0.00 C ATOM 349 O PRO A 26 11.158 -5.858 -3.760 1.00 0.00 O ATOM 350 CB PRO A 26 13.238 -8.045 -4.474 1.00 0.00 C ATOM 351 CG PRO A 26 14.084 -7.379 -3.444 1.00 0.00 C ATOM 352 CD PRO A 26 14.655 -6.155 -4.105 1.00 0.00 C ATOM 0 HA PRO A 26 12.523 -7.149 -6.361 1.00 0.00 H new ATOM 0 HB2 PRO A 26 12.443 -8.632 -4.014 1.00 0.00 H new ATOM 0 HB3 PRO A 26 13.825 -8.729 -5.087 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.493 -7.110 -2.568 1.00 0.00 H new ATOM 0 HG3 PRO A 26 14.877 -8.043 -3.101 1.00 0.00 H new ATOM 0 HD2 PRO A 26 14.784 -5.338 -3.395 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.633 -6.354 -4.543 1.00 0.00 H new ATOM 360 N LYS A 27 10.255 -6.887 -5.545 1.00 0.00 N ATOM 361 CA LYS A 27 8.882 -6.574 -5.169 1.00 0.00 C ATOM 362 C LYS A 27 8.472 -7.342 -3.917 1.00 0.00 C ATOM 363 O LYS A 27 8.804 -8.517 -3.761 1.00 0.00 O ATOM 364 CB LYS A 27 7.928 -6.906 -6.319 1.00 0.00 C ATOM 365 CG LYS A 27 6.461 -6.810 -5.940 1.00 0.00 C ATOM 366 CD LYS A 27 5.928 -8.139 -5.432 1.00 0.00 C ATOM 367 CE LYS A 27 5.732 -9.132 -6.568 1.00 0.00 C ATOM 368 NZ LYS A 27 5.589 -10.527 -6.067 1.00 0.00 N ATOM 0 H LYS A 27 10.344 -7.418 -6.411 1.00 0.00 H new ATOM 0 HA LYS A 27 8.825 -5.507 -4.954 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.125 -6.229 -7.150 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.138 -7.915 -6.674 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.332 -6.048 -5.172 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.881 -6.491 -6.806 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.621 -8.554 -4.700 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.980 -7.980 -4.919 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.845 -8.859 -7.140 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.581 -9.076 -7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.260 -11.145 -6.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.788 -10.551 -5.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.619 -10.860 -6.239 1.00 0.00 H new ATOM 382 N SER A 28 7.746 -6.672 -3.028 1.00 0.00 N ATOM 383 CA SER A 28 7.293 -7.291 -1.788 1.00 0.00 C ATOM 384 C SER A 28 5.799 -7.596 -1.848 1.00 0.00 C ATOM 385 O SER A 28 5.059 -6.980 -2.615 1.00 0.00 O ATOM 386 CB SER A 28 7.591 -6.378 -0.597 1.00 0.00 C ATOM 387 OG SER A 28 8.892 -6.612 -0.088 1.00 0.00 O ATOM 0 H SER A 28 7.459 -5.700 -3.143 1.00 0.00 H new ATOM 0 HA SER A 28 7.834 -8.229 -1.661 1.00 0.00 H new ATOM 0 HB2 SER A 28 7.498 -5.336 -0.902 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.854 -6.547 0.188 1.00 0.00 H new ATOM 0 HG SER A 28 9.059 -6.015 0.671 1.00 0.00 H new ATOM 393 N ILE A 29 5.364 -8.551 -1.033 1.00 0.00 N ATOM 394 CA ILE A 29 3.959 -8.938 -0.992 1.00 0.00 C ATOM 395 C ILE A 29 3.283 -8.422 0.274 1.00 0.00 C ATOM 396 O ILE A 29 3.689 -8.757 1.388 1.00 0.00 O ATOM 397 CB ILE A 29 3.794 -10.467 -1.062 1.00 0.00 C ATOM 398 CG1 ILE A 29 4.449 -11.015 -2.331 1.00 0.00 C ATOM 399 CG2 ILE A 29 2.320 -10.843 -1.015 1.00 0.00 C ATOM 400 CD1 ILE A 29 3.811 -10.512 -3.606 1.00 0.00 C ATOM 0 H ILE A 29 5.964 -9.071 -0.392 1.00 0.00 H new ATOM 0 HA ILE A 29 3.483 -8.489 -1.864 1.00 0.00 H new ATOM 0 HB ILE A 29 4.290 -10.911 -0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.505 -10.744 -2.331 1.00 0.00 H new ATOM 0 HG13 ILE A 29 4.399 -12.104 -2.315 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.219 -11.927 -1.065 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.882 -10.481 -0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.802 -10.391 -1.861 1.00 0.00 H new ATOM 0 HD11 ILE A 29 4.327 -10.942 -4.465 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.762 -10.806 -3.628 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.884 -9.425 -3.645 1.00 0.00 H new ATOM 412 N LEU A 30 2.250 -7.606 0.097 1.00 0.00 N ATOM 413 CA LEU A 30 1.516 -7.045 1.225 1.00 0.00 C ATOM 414 C LEU A 30 0.162 -7.729 1.388 1.00 0.00 C ATOM 415 O LEU A 30 -0.695 -7.648 0.508 1.00 0.00 O ATOM 416 CB LEU A 30 1.320 -5.540 1.034 1.00 0.00 C ATOM 417 CG LEU A 30 0.686 -4.791 2.207 1.00 0.00 C ATOM 418 CD1 LEU A 30 1.752 -4.357 3.201 1.00 0.00 C ATOM 419 CD2 LEU A 30 -0.102 -3.588 1.708 1.00 0.00 C ATOM 0 H LEU A 30 1.902 -7.318 -0.817 1.00 0.00 H new ATOM 0 HA LEU A 30 2.101 -7.217 2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.291 -5.091 0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.700 -5.384 0.151 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.003 -5.466 2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.283 -3.826 4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.273 -5.235 3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.465 -3.699 2.705 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.546 -3.067 2.556 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.566 -2.911 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.891 -3.924 1.035 1.00 0.00 H new ATOM 431 N GLN A 31 -0.024 -8.400 2.521 1.00 0.00 N ATOM 432 CA GLN A 31 -1.274 -9.096 2.799 1.00 0.00 C ATOM 433 C GLN A 31 -2.132 -8.303 3.779 1.00 0.00 C ATOM 434 O GLN A 31 -1.879 -8.304 4.984 1.00 0.00 O ATOM 435 CB GLN A 31 -0.992 -10.490 3.363 1.00 0.00 C ATOM 436 CG GLN A 31 -0.337 -11.429 2.363 1.00 0.00 C ATOM 437 CD GLN A 31 1.108 -11.067 2.081 1.00 0.00 C ATOM 438 OE1 GLN A 31 1.390 -10.089 1.388 1.00 0.00 O ATOM 439 NE2 GLN A 31 2.032 -11.854 2.619 1.00 0.00 N ATOM 0 H GLN A 31 0.675 -8.476 3.260 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.822 -9.195 1.862 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.347 -10.396 4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -1.929 -10.931 3.704 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -0.384 -12.449 2.744 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.901 -11.411 1.430 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.753 -12.654 3.187 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.021 -11.659 2.465 1.00 0.00 H new ATOM 448 N LEU A 32 -3.148 -7.626 3.254 1.00 0.00 N ATOM 449 CA LEU A 32 -4.045 -6.827 4.082 1.00 0.00 C ATOM 450 C LEU A 32 -4.942 -7.721 4.932 1.00 0.00 C ATOM 451 O LEU A 32 -5.246 -8.859 4.572 1.00 0.00 O ATOM 452 CB LEU A 32 -4.900 -5.912 3.206 1.00 0.00 C ATOM 453 CG LEU A 32 -5.773 -6.607 2.160 1.00 0.00 C ATOM 454 CD1 LEU A 32 -7.139 -6.938 2.740 1.00 0.00 C ATOM 455 CD2 LEU A 32 -5.914 -5.737 0.920 1.00 0.00 C ATOM 0 H LEU A 32 -3.371 -7.615 2.259 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.436 -6.216 4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.546 -5.321 3.855 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.240 -5.213 2.693 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.288 -7.540 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.746 -7.432 1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.019 -7.600 3.597 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.632 -6.019 3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.538 -6.247 0.187 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.376 -4.788 1.192 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.929 -5.552 0.492 1.00 0.00 H new ATOM 467 N PRO A 33 -5.380 -7.196 6.086 1.00 0.00 N ATOM 468 CA PRO A 33 -6.252 -7.928 7.009 1.00 0.00 C ATOM 469 C PRO A 33 -7.657 -8.121 6.450 1.00 0.00 C ATOM 470 O PRO A 33 -7.992 -7.587 5.393 1.00 0.00 O ATOM 471 CB PRO A 33 -6.288 -7.032 8.249 1.00 0.00 C ATOM 472 CG PRO A 33 -5.999 -5.664 7.736 1.00 0.00 C ATOM 473 CD PRO A 33 -5.058 -5.846 6.577 1.00 0.00 C ATOM 0 HA PRO A 33 -5.884 -8.935 7.205 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.261 -7.074 8.739 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -5.546 -7.344 8.985 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -6.915 -5.164 7.420 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.548 -5.044 8.511 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -5.217 -5.090 5.808 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -4.016 -5.770 6.889 1.00 0.00 H new ATOM 598 N LEU A 42 -13.510 -6.910 -2.335 1.00 0.00 N ATOM 599 CA LEU A 42 -13.591 -5.889 -1.295 1.00 0.00 C ATOM 600 C LEU A 42 -14.465 -4.723 -1.744 1.00 0.00 C ATOM 601 O LEU A 42 -15.522 -4.468 -1.167 1.00 0.00 O ATOM 602 CB LEU A 42 -12.192 -5.385 -0.938 1.00 0.00 C ATOM 603 CG LEU A 42 -11.170 -6.456 -0.555 1.00 0.00 C ATOM 604 CD1 LEU A 42 -9.849 -5.816 -0.158 1.00 0.00 C ATOM 605 CD2 LEU A 42 -11.705 -7.325 0.574 1.00 0.00 C ATOM 0 HA LEU A 42 -14.044 -6.340 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -11.801 -4.826 -1.788 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -12.281 -4.683 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.996 -7.091 -1.423 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.134 -6.594 0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.458 -5.238 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -10.006 -5.156 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.964 -8.081 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.909 -6.704 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.625 -7.813 0.253 1.00 0.00 H new ATOM 617 N GLY A 43 -14.018 -4.018 -2.779 1.00 0.00 N ATOM 618 CA GLY A 43 -14.773 -2.889 -3.289 1.00 0.00 C ATOM 619 C GLY A 43 -15.309 -2.002 -2.182 1.00 0.00 C ATOM 620 O GLY A 43 -16.514 -1.771 -2.091 1.00 0.00 O ATOM 0 H GLY A 43 -13.146 -4.209 -3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.137 -2.298 -3.948 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -15.604 -3.254 -3.892 1.00 0.00 H new ATOM 624 N GLY A 44 -14.411 -1.505 -1.337 1.00 0.00 N ATOM 625 CA GLY A 44 -14.820 -0.646 -0.241 1.00 0.00 C ATOM 626 C GLY A 44 -13.640 -0.011 0.469 1.00 0.00 C ATOM 627 O GLY A 44 -13.747 1.097 0.995 1.00 0.00 O ATOM 0 H GLY A 44 -13.408 -1.682 -1.392 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.475 0.137 -0.622 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -15.401 -1.227 0.475 1.00 0.00 H new ATOM 631 N TYR A 45 -12.514 -0.714 0.486 1.00 0.00 N ATOM 632 CA TYR A 45 -11.311 -0.215 1.141 1.00 0.00 C ATOM 633 C TYR A 45 -10.951 1.177 0.631 1.00 0.00 C ATOM 634 O TYR A 45 -11.323 1.559 -0.479 1.00 0.00 O ATOM 635 CB TYR A 45 -10.142 -1.173 0.907 1.00 0.00 C ATOM 636 CG TYR A 45 -10.043 -2.272 1.941 1.00 0.00 C ATOM 637 CD1 TYR A 45 -10.963 -3.313 1.968 1.00 0.00 C ATOM 638 CD2 TYR A 45 -9.030 -2.269 2.892 1.00 0.00 C ATOM 639 CE1 TYR A 45 -10.877 -4.318 2.912 1.00 0.00 C ATOM 640 CE2 TYR A 45 -8.935 -3.270 3.839 1.00 0.00 C ATOM 641 CZ TYR A 45 -9.862 -4.292 3.845 1.00 0.00 C ATOM 642 OH TYR A 45 -9.772 -5.293 4.786 1.00 0.00 O ATOM 0 H TYR A 45 -12.409 -1.632 0.054 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.511 -0.151 2.211 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.244 -1.623 -0.081 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.212 -0.604 0.903 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -11.759 -3.337 1.238 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -8.304 -1.470 2.891 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.601 -5.120 2.919 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -8.140 -3.253 4.570 1.00 0.00 H new ATOM 0 HH TYR A 45 -8.913 -5.754 4.692 1.00 0.00 H new ATOM 652 N SER A 46 -10.224 1.931 1.450 1.00 0.00 N ATOM 653 CA SER A 46 -9.816 3.282 1.084 1.00 0.00 C ATOM 654 C SER A 46 -8.300 3.371 0.936 1.00 0.00 C ATOM 655 O SER A 46 -7.554 2.944 1.818 1.00 0.00 O ATOM 656 CB SER A 46 -10.296 4.285 2.135 1.00 0.00 C ATOM 657 OG SER A 46 -11.660 4.615 1.940 1.00 0.00 O ATOM 0 H SER A 46 -9.906 1.629 2.371 1.00 0.00 H new ATOM 0 HA SER A 46 -10.272 3.525 0.124 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.159 3.866 3.132 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.689 5.189 2.083 1.00 0.00 H new ATOM 0 HG SER A 46 -11.943 5.256 2.625 1.00 0.00 H new ATOM 663 N ILE A 47 -7.853 3.927 -0.184 1.00 0.00 N ATOM 664 CA ILE A 47 -6.427 4.073 -0.448 1.00 0.00 C ATOM 665 C ILE A 47 -5.662 4.399 0.830 1.00 0.00 C ATOM 666 O ILE A 47 -4.692 3.724 1.175 1.00 0.00 O ATOM 667 CB ILE A 47 -6.156 5.174 -1.491 1.00 0.00 C ATOM 668 CG1 ILE A 47 -6.885 4.858 -2.798 1.00 0.00 C ATOM 669 CG2 ILE A 47 -4.661 5.318 -1.733 1.00 0.00 C ATOM 670 CD1 ILE A 47 -6.565 3.488 -3.354 1.00 0.00 C ATOM 0 H ILE A 47 -8.458 4.284 -0.924 1.00 0.00 H new ATOM 0 HA ILE A 47 -6.080 3.118 -0.843 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.534 6.121 -1.105 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.960 4.931 -2.632 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.625 5.612 -3.541 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -4.486 6.100 -2.472 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.165 5.584 -0.799 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.259 4.374 -2.101 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.117 3.333 -4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -5.496 3.417 -3.553 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -6.851 2.725 -2.630 1.00 0.00 H new ATOM 682 N SER A 48 -6.106 5.438 1.530 1.00 0.00 N ATOM 683 CA SER A 48 -5.462 5.856 2.770 1.00 0.00 C ATOM 684 C SER A 48 -4.931 4.651 3.539 1.00 0.00 C ATOM 685 O SER A 48 -3.764 4.613 3.929 1.00 0.00 O ATOM 686 CB SER A 48 -6.446 6.640 3.641 1.00 0.00 C ATOM 687 OG SER A 48 -5.765 7.392 4.629 1.00 0.00 O ATOM 0 H SER A 48 -6.909 6.006 1.260 1.00 0.00 H new ATOM 0 HA SER A 48 -4.621 6.501 2.515 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.038 7.308 3.015 1.00 0.00 H new ATOM 0 HB3 SER A 48 -7.142 5.951 4.119 1.00 0.00 H new ATOM 0 HG SER A 48 -6.416 7.885 5.171 1.00 0.00 H new ATOM 693 N PHE A 49 -5.798 3.667 3.756 1.00 0.00 N ATOM 694 CA PHE A 49 -5.418 2.459 4.480 1.00 0.00 C ATOM 695 C PHE A 49 -4.138 1.860 3.905 1.00 0.00 C ATOM 696 O PHE A 49 -3.144 1.695 4.612 1.00 0.00 O ATOM 697 CB PHE A 49 -6.548 1.429 4.423 1.00 0.00 C ATOM 698 CG PHE A 49 -6.365 0.286 5.381 1.00 0.00 C ATOM 699 CD1 PHE A 49 -6.186 0.522 6.735 1.00 0.00 C ATOM 700 CD2 PHE A 49 -6.374 -1.023 4.928 1.00 0.00 C ATOM 701 CE1 PHE A 49 -6.017 -0.528 7.618 1.00 0.00 C ATOM 702 CE2 PHE A 49 -6.206 -2.077 5.807 1.00 0.00 C ATOM 703 CZ PHE A 49 -6.028 -1.828 7.154 1.00 0.00 C ATOM 0 H PHE A 49 -6.768 3.682 3.441 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.235 2.730 5.520 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.494 1.926 4.639 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -6.619 1.035 3.409 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.178 1.537 7.104 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.514 -1.223 3.876 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.876 -0.331 8.671 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.214 -3.093 5.441 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.898 -2.649 7.843 1.00 0.00 H new ATOM 713 N LEU A 50 -4.171 1.535 2.617 1.00 0.00 N ATOM 714 CA LEU A 50 -3.015 0.953 1.945 1.00 0.00 C ATOM 715 C LEU A 50 -1.757 1.771 2.219 1.00 0.00 C ATOM 716 O LEU A 50 -0.733 1.234 2.642 1.00 0.00 O ATOM 717 CB LEU A 50 -3.264 0.869 0.438 1.00 0.00 C ATOM 718 CG LEU A 50 -3.934 -0.411 -0.061 1.00 0.00 C ATOM 719 CD1 LEU A 50 -4.171 -0.340 -1.562 1.00 0.00 C ATOM 720 CD2 LEU A 50 -3.090 -1.627 0.290 1.00 0.00 C ATOM 0 H LEU A 50 -4.986 1.665 2.017 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.866 -0.052 2.339 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.882 1.717 0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.308 0.979 -0.075 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.900 -0.509 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.649 -1.260 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.817 0.508 -1.789 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.217 -0.217 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.583 -2.529 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.109 -1.536 -0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.972 -1.688 1.372 1.00 0.00 H new ATOM 732 N LYS A 51 -1.841 3.075 1.976 1.00 0.00 N ATOM 733 CA LYS A 51 -0.712 3.970 2.200 1.00 0.00 C ATOM 734 C LYS A 51 -0.060 3.696 3.551 1.00 0.00 C ATOM 735 O LYS A 51 1.110 4.016 3.762 1.00 0.00 O ATOM 736 CB LYS A 51 -1.169 5.429 2.128 1.00 0.00 C ATOM 737 CG LYS A 51 -1.500 5.894 0.721 1.00 0.00 C ATOM 738 CD LYS A 51 -2.072 7.302 0.719 1.00 0.00 C ATOM 739 CE LYS A 51 -2.101 7.890 -0.683 1.00 0.00 C ATOM 740 NZ LYS A 51 -3.078 9.008 -0.796 1.00 0.00 N ATOM 0 H LYS A 51 -2.680 3.536 1.624 1.00 0.00 H new ATOM 0 HA LYS A 51 0.025 3.788 1.418 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.048 5.557 2.760 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.386 6.067 2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.600 5.865 0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.217 5.208 0.269 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.082 7.286 1.129 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -1.474 7.940 1.370 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.106 8.249 -0.947 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.358 7.109 -1.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -3.561 8.955 -1.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.779 8.935 -0.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.577 9.916 -0.720 1.00 0.00 H new ATOM 754 N GLN A 52 -0.823 3.101 4.462 1.00 0.00 N ATOM 755 CA GLN A 52 -0.318 2.784 5.793 1.00 0.00 C ATOM 756 C GLN A 52 0.336 1.407 5.812 1.00 0.00 C ATOM 757 O GLN A 52 1.491 1.262 6.217 1.00 0.00 O ATOM 758 CB GLN A 52 -1.452 2.838 6.818 1.00 0.00 C ATOM 759 CG GLN A 52 -2.365 4.042 6.653 1.00 0.00 C ATOM 760 CD GLN A 52 -2.992 4.483 7.960 1.00 0.00 C ATOM 761 OE1 GLN A 52 -3.105 3.700 8.904 1.00 0.00 O ATOM 762 NE2 GLN A 52 -3.404 5.744 8.024 1.00 0.00 N ATOM 0 H GLN A 52 -1.793 2.829 4.303 1.00 0.00 H new ATOM 0 HA GLN A 52 0.435 3.527 6.056 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.047 1.928 6.738 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.024 2.852 7.820 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.795 4.870 6.230 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -3.153 3.800 5.940 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -3.291 6.359 7.218 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.833 6.097 8.879 1.00 0.00 H new ATOM 771 N LEU A 53 -0.408 0.398 5.374 1.00 0.00 N ATOM 772 CA LEU A 53 0.100 -0.970 5.341 1.00 0.00 C ATOM 773 C LEU A 53 1.462 -1.029 4.657 1.00 0.00 C ATOM 774 O LEU A 53 2.434 -1.519 5.231 1.00 0.00 O ATOM 775 CB LEU A 53 -0.888 -1.884 4.615 1.00 0.00 C ATOM 776 CG LEU A 53 -2.182 -2.205 5.365 1.00 0.00 C ATOM 777 CD1 LEU A 53 -3.256 -1.178 5.040 1.00 0.00 C ATOM 778 CD2 LEU A 53 -2.663 -3.608 5.024 1.00 0.00 C ATOM 0 H LEU A 53 -1.365 0.501 5.037 1.00 0.00 H new ATOM 0 HA LEU A 53 0.215 -1.313 6.369 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.149 -1.421 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.383 -2.822 4.385 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.979 -2.162 6.435 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.169 -1.423 5.582 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.913 -0.187 5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.457 -1.188 3.969 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.584 -3.819 5.567 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.849 -3.678 3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.901 -4.333 5.308 1.00 0.00 H new ATOM 790 N ILE A 54 1.524 -0.524 3.430 1.00 0.00 N ATOM 791 CA ILE A 54 2.768 -0.516 2.670 1.00 0.00 C ATOM 792 C ILE A 54 3.865 0.233 3.418 1.00 0.00 C ATOM 793 O ILE A 54 4.974 -0.273 3.584 1.00 0.00 O ATOM 794 CB ILE A 54 2.576 0.126 1.283 1.00 0.00 C ATOM 795 CG1 ILE A 54 1.766 -0.801 0.375 1.00 0.00 C ATOM 796 CG2 ILE A 54 3.925 0.444 0.656 1.00 0.00 C ATOM 797 CD1 ILE A 54 0.270 -0.601 0.488 1.00 0.00 C ATOM 0 H ILE A 54 0.728 -0.115 2.941 1.00 0.00 H new ATOM 0 HA ILE A 54 3.066 -1.557 2.541 1.00 0.00 H new ATOM 0 HB ILE A 54 2.024 1.058 1.404 1.00 0.00 H new ATOM 0 HG12 ILE A 54 2.069 -0.639 -0.659 1.00 0.00 H new ATOM 0 HG13 ILE A 54 2.006 -1.836 0.619 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.773 0.897 -0.324 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.469 1.138 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.501 -0.475 0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.241 -1.291 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.046 -0.792 1.514 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.018 0.424 0.215 1.00 0.00 H new ATOM 809 N ALA A 55 3.546 1.442 3.869 1.00 0.00 N ATOM 810 CA ALA A 55 4.503 2.260 4.604 1.00 0.00 C ATOM 811 C ALA A 55 4.995 1.540 5.855 1.00 0.00 C ATOM 812 O ALA A 55 6.072 1.836 6.370 1.00 0.00 O ATOM 813 CB ALA A 55 3.880 3.598 4.973 1.00 0.00 C ATOM 0 H ALA A 55 2.632 1.876 3.738 1.00 0.00 H new ATOM 0 HA ALA A 55 5.363 2.438 3.958 1.00 0.00 H new ATOM 0 HB1 ALA A 55 4.606 4.198 5.521 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.585 4.125 4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.002 3.431 5.597 1.00 0.00 H new ATOM 819 N GLY A 56 4.196 0.594 6.340 1.00 0.00 N ATOM 820 CA GLY A 56 4.568 -0.153 7.527 1.00 0.00 C ATOM 821 C GLY A 56 5.515 -1.296 7.221 1.00 0.00 C ATOM 822 O GLY A 56 6.281 -1.725 8.084 1.00 0.00 O ATOM 0 H GLY A 56 3.299 0.332 5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 56 5.037 0.521 8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.669 -0.547 8.001 1.00 0.00 H new ATOM 826 N LYS A 57 5.463 -1.792 5.990 1.00 0.00 N ATOM 827 CA LYS A 57 6.322 -2.892 5.571 1.00 0.00 C ATOM 828 C LYS A 57 7.630 -2.369 4.985 1.00 0.00 C ATOM 829 O LYS A 57 8.688 -2.974 5.165 1.00 0.00 O ATOM 830 CB LYS A 57 5.602 -3.764 4.539 1.00 0.00 C ATOM 831 CG LYS A 57 4.757 -4.865 5.157 1.00 0.00 C ATOM 832 CD LYS A 57 5.618 -5.899 5.863 1.00 0.00 C ATOM 833 CE LYS A 57 4.791 -7.088 6.328 1.00 0.00 C ATOM 834 NZ LYS A 57 5.614 -8.324 6.444 1.00 0.00 N ATOM 0 H LYS A 57 4.834 -1.449 5.264 1.00 0.00 H new ATOM 0 HA LYS A 57 6.553 -3.494 6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.964 -3.131 3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.341 -4.214 3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.054 -4.430 5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.166 -5.351 4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 57 6.403 -6.242 5.189 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.111 -5.440 6.720 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.339 -6.861 7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 57 3.975 -7.260 5.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 5.014 -9.112 6.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.025 -8.556 5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.378 -8.169 7.133 1.00 0.00 H new ATOM 848 N LEU A 58 7.551 -1.242 4.287 1.00 0.00 N ATOM 849 CA LEU A 58 8.729 -0.636 3.676 1.00 0.00 C ATOM 850 C LEU A 58 9.384 0.361 4.627 1.00 0.00 C ATOM 851 O LEU A 58 10.118 1.250 4.199 1.00 0.00 O ATOM 852 CB LEU A 58 8.349 0.062 2.369 1.00 0.00 C ATOM 853 CG LEU A 58 7.468 -0.740 1.411 1.00 0.00 C ATOM 854 CD1 LEU A 58 7.358 -0.034 0.069 1.00 0.00 C ATOM 855 CD2 LEU A 58 8.019 -2.147 1.232 1.00 0.00 C ATOM 0 H LEU A 58 6.684 -0.729 4.130 1.00 0.00 H new ATOM 0 HA LEU A 58 9.445 -1.429 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 58 7.834 0.991 2.613 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.266 0.334 1.846 1.00 0.00 H new ATOM 0 HG LEU A 58 6.470 -0.814 1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.727 -0.620 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.917 0.953 0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.351 0.072 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.380 -2.704 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.028 -2.093 0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.045 -2.653 2.197 1.00 0.00 H new ATOM 867 N GLN A 59 9.113 0.204 5.919 1.00 0.00 N ATOM 868 CA GLN A 59 9.677 1.090 6.930 1.00 0.00 C ATOM 869 C GLN A 59 11.186 1.222 6.757 1.00 0.00 C ATOM 870 O GLN A 59 11.801 2.152 7.279 1.00 0.00 O ATOM 871 CB GLN A 59 9.356 0.568 8.332 1.00 0.00 C ATOM 872 CG GLN A 59 7.954 0.916 8.805 1.00 0.00 C ATOM 873 CD GLN A 59 7.884 2.276 9.471 1.00 0.00 C ATOM 874 OE1 GLN A 59 8.604 3.202 9.095 1.00 0.00 O ATOM 875 NE2 GLN A 59 7.015 2.404 10.467 1.00 0.00 N ATOM 0 H GLN A 59 8.507 -0.528 6.290 1.00 0.00 H new ATOM 0 HA GLN A 59 9.228 2.075 6.805 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.476 -0.515 8.343 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.080 0.976 9.037 1.00 0.00 H new ATOM 0 HG2 GLN A 59 7.272 0.897 7.955 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.611 0.154 9.506 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.438 1.610 10.746 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.924 3.296 10.953 1.00 0.00 H new ATOM 884 N GLU A 60 11.777 0.286 6.021 1.00 0.00 N ATOM 885 CA GLU A 60 13.215 0.298 5.781 1.00 0.00 C ATOM 886 C GLU A 60 13.624 1.539 4.992 1.00 0.00 C ATOM 887 O GLU A 60 14.695 2.104 5.215 1.00 0.00 O ATOM 888 CB GLU A 60 13.640 -0.963 5.026 1.00 0.00 C ATOM 889 CG GLU A 60 12.960 -1.122 3.677 1.00 0.00 C ATOM 890 CD GLU A 60 13.597 -2.204 2.826 1.00 0.00 C ATOM 891 OE1 GLU A 60 14.104 -3.189 3.402 1.00 0.00 O ATOM 892 OE2 GLU A 60 13.590 -2.065 1.585 1.00 0.00 O ATOM 0 H GLU A 60 11.282 -0.490 5.581 1.00 0.00 H new ATOM 0 HA GLU A 60 13.718 0.320 6.747 1.00 0.00 H new ATOM 0 HB2 GLU A 60 14.720 -0.942 4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 60 13.419 -1.836 5.640 1.00 0.00 H new ATOM 0 HG2 GLU A 60 11.907 -1.359 3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 60 12.998 -0.174 3.141 1.00 0.00 H new ATOM 899 N SER A 61 12.764 1.956 4.069 1.00 0.00 N ATOM 900 CA SER A 61 13.037 3.126 3.243 1.00 0.00 C ATOM 901 C SER A 61 12.019 4.231 3.513 1.00 0.00 C ATOM 902 O SER A 61 12.378 5.401 3.650 1.00 0.00 O ATOM 903 CB SER A 61 13.014 2.748 1.761 1.00 0.00 C ATOM 904 OG SER A 61 14.297 2.341 1.318 1.00 0.00 O ATOM 0 H SER A 61 11.872 1.501 3.874 1.00 0.00 H new ATOM 0 HA SER A 61 14.029 3.498 3.500 1.00 0.00 H new ATOM 0 HB2 SER A 61 12.298 1.943 1.599 1.00 0.00 H new ATOM 0 HB3 SER A 61 12.675 3.599 1.171 1.00 0.00 H new ATOM 0 HG SER A 61 14.255 2.103 0.368 1.00 0.00 H new ATOM 910 N VAL A 62 10.748 3.850 3.589 1.00 0.00 N ATOM 911 CA VAL A 62 9.678 4.806 3.844 1.00 0.00 C ATOM 912 C VAL A 62 9.686 5.266 5.298 1.00 0.00 C ATOM 913 O VAL A 62 9.574 4.467 6.228 1.00 0.00 O ATOM 914 CB VAL A 62 8.298 4.206 3.515 1.00 0.00 C ATOM 915 CG1 VAL A 62 7.187 5.087 4.065 1.00 0.00 C ATOM 916 CG2 VAL A 62 8.145 4.015 2.014 1.00 0.00 C ATOM 0 H VAL A 62 10.434 2.886 3.478 1.00 0.00 H new ATOM 0 HA VAL A 62 9.858 5.662 3.194 1.00 0.00 H new ATOM 0 HB VAL A 62 8.223 3.229 3.992 1.00 0.00 H new ATOM 0 HG11 VAL A 62 6.220 4.647 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 62 7.288 5.167 5.147 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.256 6.080 3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.164 3.590 1.799 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.241 4.978 1.513 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.920 3.339 1.652 1.00 0.00 H new ATOM 926 N PRO A 63 9.821 6.585 5.500 1.00 0.00 N ATOM 927 CA PRO A 63 9.846 7.182 6.839 1.00 0.00 C ATOM 928 C PRO A 63 8.488 7.116 7.529 1.00 0.00 C ATOM 929 O PRO A 63 8.382 6.666 8.670 1.00 0.00 O ATOM 930 CB PRO A 63 10.240 8.637 6.571 1.00 0.00 C ATOM 931 CG PRO A 63 9.798 8.898 5.173 1.00 0.00 C ATOM 932 CD PRO A 63 9.959 7.596 4.438 1.00 0.00 C ATOM 0 HA PRO A 63 10.529 6.657 7.507 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.754 9.314 7.273 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.315 8.783 6.680 1.00 0.00 H new ATOM 0 HG2 PRO A 63 8.762 9.235 5.148 1.00 0.00 H new ATOM 0 HG3 PRO A 63 10.399 9.682 4.714 1.00 0.00 H new ATOM 0 HD2 PRO A 63 9.199 7.474 3.666 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.929 7.530 3.944 1.00 0.00 H new ATOM 940 N ASP A 64 7.452 7.566 6.830 1.00 0.00 N ATOM 941 CA ASP A 64 6.099 7.556 7.374 1.00 0.00 C ATOM 942 C ASP A 64 5.064 7.453 6.258 1.00 0.00 C ATOM 943 O ASP A 64 5.314 7.822 5.111 1.00 0.00 O ATOM 944 CB ASP A 64 5.851 8.818 8.202 1.00 0.00 C ATOM 945 CG ASP A 64 6.210 8.632 9.663 1.00 0.00 C ATOM 946 OD1 ASP A 64 7.397 8.803 10.010 1.00 0.00 O ATOM 947 OD2 ASP A 64 5.302 8.315 10.461 1.00 0.00 O ATOM 0 H ASP A 64 7.523 7.943 5.885 1.00 0.00 H new ATOM 0 HA ASP A 64 5.999 6.682 8.018 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.435 9.640 7.789 1.00 0.00 H new ATOM 0 HB3 ASP A 64 4.801 9.101 8.122 1.00 0.00 H new ATOM 952 N PRO A 65 3.874 6.938 6.600 1.00 0.00 N ATOM 953 CA PRO A 65 2.778 6.774 5.641 1.00 0.00 C ATOM 954 C PRO A 65 2.185 8.109 5.204 1.00 0.00 C ATOM 955 O PRO A 65 1.540 8.200 4.160 1.00 0.00 O ATOM 956 CB PRO A 65 1.743 5.959 6.421 1.00 0.00 C ATOM 957 CG PRO A 65 2.021 6.265 7.853 1.00 0.00 C ATOM 958 CD PRO A 65 3.506 6.477 7.950 1.00 0.00 C ATOM 0 HA PRO A 65 3.111 6.296 4.720 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.727 6.242 6.146 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.843 4.893 6.217 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.478 7.154 8.175 1.00 0.00 H new ATOM 0 HG3 PRO A 65 1.701 5.446 8.496 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.757 7.217 8.710 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.027 5.557 8.216 1.00 0.00 H new ATOM 966 N GLU A 66 2.407 9.143 6.011 1.00 0.00 N ATOM 967 CA GLU A 66 1.894 10.473 5.706 1.00 0.00 C ATOM 968 C GLU A 66 2.866 11.240 4.815 1.00 0.00 C ATOM 969 O GLU A 66 2.460 12.090 4.020 1.00 0.00 O ATOM 970 CB GLU A 66 1.642 11.255 6.997 1.00 0.00 C ATOM 971 CG GLU A 66 0.772 10.514 7.998 1.00 0.00 C ATOM 972 CD GLU A 66 -0.044 11.450 8.868 1.00 0.00 C ATOM 973 OE1 GLU A 66 -1.058 11.986 8.373 1.00 0.00 O ATOM 974 OE2 GLU A 66 0.332 11.648 10.042 1.00 0.00 O ATOM 0 H GLU A 66 2.938 9.084 6.880 1.00 0.00 H new ATOM 0 HA GLU A 66 0.952 10.357 5.170 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.599 11.488 7.463 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.168 12.205 6.750 1.00 0.00 H new ATOM 0 HG2 GLU A 66 0.100 9.843 7.463 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.404 9.893 8.633 1.00 0.00 H new ATOM 981 N LEU A 67 4.152 10.936 4.953 1.00 0.00 N ATOM 982 CA LEU A 67 5.184 11.597 4.161 1.00 0.00 C ATOM 983 C LEU A 67 5.429 10.850 2.854 1.00 0.00 C ATOM 984 O LEU A 67 6.468 11.020 2.216 1.00 0.00 O ATOM 985 CB LEU A 67 6.485 11.692 4.960 1.00 0.00 C ATOM 986 CG LEU A 67 6.347 12.129 6.418 1.00 0.00 C ATOM 987 CD1 LEU A 67 7.685 12.034 7.133 1.00 0.00 C ATOM 988 CD2 LEU A 67 5.796 13.545 6.500 1.00 0.00 C ATOM 0 H LEU A 67 4.505 10.236 5.606 1.00 0.00 H new ATOM 0 HA LEU A 67 4.837 12.603 3.923 1.00 0.00 H new ATOM 0 HB2 LEU A 67 6.973 10.718 4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.149 12.392 4.453 1.00 0.00 H new ATOM 0 HG LEU A 67 5.645 11.458 6.913 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.567 12.349 8.170 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.040 11.004 7.105 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.409 12.681 6.638 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.704 13.840 7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.473 14.229 5.988 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.816 13.582 6.025 1.00 0.00 H new ATOM 1000 N ILE A 68 4.465 10.025 2.460 1.00 0.00 N ATOM 1001 CA ILE A 68 4.575 9.255 1.228 1.00 0.00 C ATOM 1002 C ILE A 68 3.245 9.215 0.483 1.00 0.00 C ATOM 1003 O ILE A 68 2.275 9.854 0.891 1.00 0.00 O ATOM 1004 CB ILE A 68 5.039 7.813 1.504 1.00 0.00 C ATOM 1005 CG1 ILE A 68 4.048 7.103 2.430 1.00 0.00 C ATOM 1006 CG2 ILE A 68 6.434 7.812 2.113 1.00 0.00 C ATOM 1007 CD1 ILE A 68 2.930 6.400 1.692 1.00 0.00 C ATOM 0 H ILE A 68 3.599 9.873 2.977 1.00 0.00 H new ATOM 0 HA ILE A 68 5.320 9.756 0.610 1.00 0.00 H new ATOM 0 HB ILE A 68 5.076 7.272 0.558 1.00 0.00 H new ATOM 0 HG12 ILE A 68 4.587 6.375 3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 68 3.617 7.832 3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 68 6.748 6.785 2.302 1.00 0.00 H new ATOM 0 HG22 ILE A 68 7.133 8.283 1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.422 8.366 3.051 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.266 5.919 2.410 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.366 7.127 1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.351 5.647 1.026 1.00 0.00 H new ATOM 1019 N ASP A 69 3.207 8.459 -0.608 1.00 0.00 N ATOM 1020 CA ASP A 69 1.994 8.333 -1.409 1.00 0.00 C ATOM 1021 C ASP A 69 1.986 7.016 -2.179 1.00 0.00 C ATOM 1022 O ASP A 69 2.989 6.302 -2.220 1.00 0.00 O ATOM 1023 CB ASP A 69 1.875 9.507 -2.381 1.00 0.00 C ATOM 1024 CG ASP A 69 1.390 10.774 -1.703 1.00 0.00 C ATOM 1025 OD1 ASP A 69 0.262 10.765 -1.169 1.00 0.00 O ATOM 1026 OD2 ASP A 69 2.139 11.773 -1.707 1.00 0.00 O ATOM 0 H ASP A 69 4.002 7.924 -0.959 1.00 0.00 H new ATOM 0 HA ASP A 69 1.139 8.343 -0.733 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.845 9.693 -2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.187 9.242 -3.184 1.00 0.00 H new ATOM 1031 N LEU A 70 0.848 6.699 -2.787 1.00 0.00 N ATOM 1032 CA LEU A 70 0.709 5.467 -3.555 1.00 0.00 C ATOM 1033 C LEU A 70 0.427 5.770 -5.023 1.00 0.00 C ATOM 1034 O LEU A 70 -0.405 6.619 -5.344 1.00 0.00 O ATOM 1035 CB LEU A 70 -0.415 4.606 -2.976 1.00 0.00 C ATOM 1036 CG LEU A 70 -0.291 3.099 -3.202 1.00 0.00 C ATOM 1037 CD1 LEU A 70 1.079 2.605 -2.763 1.00 0.00 C ATOM 1038 CD2 LEU A 70 -1.391 2.356 -2.458 1.00 0.00 C ATOM 0 H LEU A 70 0.009 7.278 -2.763 1.00 0.00 H new ATOM 0 HA LEU A 70 1.649 4.919 -3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.469 4.789 -1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.360 4.941 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 70 -0.402 2.900 -4.268 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.149 1.530 -2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.851 3.114 -3.340 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.219 2.816 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.287 1.285 -2.630 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -1.311 2.561 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.364 2.689 -2.820 1.00 0.00 H new ATOM 1050 N ILE A 71 1.125 5.069 -5.911 1.00 0.00 N ATOM 1051 CA ILE A 71 0.947 5.260 -7.345 1.00 0.00 C ATOM 1052 C ILE A 71 0.487 3.972 -8.019 1.00 0.00 C ATOM 1053 O ILE A 71 1.098 2.917 -7.848 1.00 0.00 O ATOM 1054 CB ILE A 71 2.249 5.740 -8.014 1.00 0.00 C ATOM 1055 CG1 ILE A 71 2.927 6.807 -7.153 1.00 0.00 C ATOM 1056 CG2 ILE A 71 1.960 6.280 -9.407 1.00 0.00 C ATOM 1057 CD1 ILE A 71 2.083 8.045 -6.948 1.00 0.00 C ATOM 0 H ILE A 71 1.819 4.364 -5.662 1.00 0.00 H new ATOM 0 HA ILE A 71 0.180 6.025 -7.469 1.00 0.00 H new ATOM 0 HB ILE A 71 2.927 4.892 -8.108 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.169 6.378 -6.181 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.870 7.093 -7.619 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.889 6.615 -9.867 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.516 5.493 -10.017 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.267 7.118 -9.336 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.627 8.758 -6.328 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.862 8.499 -7.914 1.00 0.00 H new ATOM 0 HD13 ILE A 71 1.151 7.772 -6.454 1.00 0.00 H new ATOM 1069 N TYR A 72 -0.593 4.066 -8.787 1.00 0.00 N ATOM 1070 CA TYR A 72 -1.136 2.908 -9.487 1.00 0.00 C ATOM 1071 C TYR A 72 -1.538 3.273 -10.913 1.00 0.00 C ATOM 1072 O TYR A 72 -2.078 4.352 -11.161 1.00 0.00 O ATOM 1073 CB TYR A 72 -2.343 2.349 -8.732 1.00 0.00 C ATOM 1074 CG TYR A 72 -3.016 1.193 -9.436 1.00 0.00 C ATOM 1075 CD1 TYR A 72 -2.593 -0.114 -9.228 1.00 0.00 C ATOM 1076 CD2 TYR A 72 -4.073 1.407 -10.312 1.00 0.00 C ATOM 1077 CE1 TYR A 72 -3.204 -1.174 -9.870 1.00 0.00 C ATOM 1078 CE2 TYR A 72 -4.691 0.354 -10.957 1.00 0.00 C ATOM 1079 CZ TYR A 72 -4.253 -0.935 -10.733 1.00 0.00 C ATOM 1080 OH TYR A 72 -4.865 -1.987 -11.375 1.00 0.00 O ATOM 0 H TYR A 72 -1.110 4.932 -8.940 1.00 0.00 H new ATOM 0 HA TYR A 72 -0.359 2.145 -9.532 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.023 2.024 -7.742 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.071 3.147 -8.585 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -1.772 -0.305 -8.553 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.417 2.415 -10.492 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -2.862 -2.184 -9.697 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.513 0.538 -11.633 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.585 -1.647 -11.946 1.00 0.00 H new ATOM 1090 N CYS A 73 -1.272 2.365 -11.846 1.00 0.00 N ATOM 1091 CA CYS A 73 -1.606 2.590 -13.248 1.00 0.00 C ATOM 1092 C CYS A 73 -0.924 3.849 -13.774 1.00 0.00 C ATOM 1093 O CYS A 73 -1.416 4.493 -14.700 1.00 0.00 O ATOM 1094 CB CYS A 73 -3.121 2.705 -13.421 1.00 0.00 C ATOM 1095 SG CYS A 73 -3.669 2.709 -15.144 1.00 0.00 S ATOM 0 H CYS A 73 -0.827 1.467 -11.657 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.246 1.737 -13.823 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.599 1.875 -12.901 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.462 3.622 -12.940 1.00 0.00 H new ATOM 0 HG CYS A 73 -2.928 3.525 -15.833 1.00 0.00 H new ATOM 1101 N GLY A 74 0.211 4.196 -13.175 1.00 0.00 N ATOM 1102 CA GLY A 74 0.941 5.377 -13.595 1.00 0.00 C ATOM 1103 C GLY A 74 0.303 6.660 -13.098 1.00 0.00 C ATOM 1104 O GLY A 74 0.603 7.744 -13.597 1.00 0.00 O ATOM 0 H GLY A 74 0.638 3.680 -12.406 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.965 5.318 -13.227 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.995 5.399 -14.683 1.00 0.00 H new ATOM 1108 N ARG A 75 -0.580 6.536 -12.112 1.00 0.00 N ATOM 1109 CA ARG A 75 -1.263 7.694 -11.549 1.00 0.00 C ATOM 1110 C ARG A 75 -1.436 7.543 -10.041 1.00 0.00 C ATOM 1111 O ARG A 75 -1.755 6.461 -9.547 1.00 0.00 O ATOM 1112 CB ARG A 75 -2.629 7.880 -12.214 1.00 0.00 C ATOM 1113 CG ARG A 75 -3.673 6.877 -11.751 1.00 0.00 C ATOM 1114 CD ARG A 75 -5.076 7.311 -12.147 1.00 0.00 C ATOM 1115 NE ARG A 75 -5.246 7.358 -13.597 1.00 0.00 N ATOM 1116 CZ ARG A 75 -5.542 6.296 -14.337 1.00 0.00 C ATOM 1117 NH1 ARG A 75 -5.701 5.110 -13.766 1.00 0.00 N ATOM 1118 NH2 ARG A 75 -5.681 6.419 -15.650 1.00 0.00 N ATOM 0 H ARG A 75 -0.839 5.646 -11.687 1.00 0.00 H new ATOM 0 HA ARG A 75 -0.650 8.575 -11.741 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.989 8.888 -12.009 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.512 7.797 -13.295 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.457 5.900 -12.183 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.617 6.766 -10.668 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.803 6.621 -11.719 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.284 8.295 -11.726 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.131 8.256 -14.067 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.596 5.012 -12.756 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -5.928 4.296 -14.337 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.561 7.330 -16.092 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.908 5.603 -16.217 1.00 0.00 H new ATOM 1132 N LYS A 76 -1.224 8.635 -9.314 1.00 0.00 N ATOM 1133 CA LYS A 76 -1.356 8.626 -7.862 1.00 0.00 C ATOM 1134 C LYS A 76 -2.786 8.291 -7.448 1.00 0.00 C ATOM 1135 O LYS A 76 -3.726 8.474 -8.223 1.00 0.00 O ATOM 1136 CB LYS A 76 -0.952 9.984 -7.284 1.00 0.00 C ATOM 1137 CG LYS A 76 -0.359 9.898 -5.888 1.00 0.00 C ATOM 1138 CD LYS A 76 -0.656 11.149 -5.078 1.00 0.00 C ATOM 1139 CE LYS A 76 -2.123 11.221 -4.683 1.00 0.00 C ATOM 1140 NZ LYS A 76 -2.377 10.568 -3.369 1.00 0.00 N ATOM 0 H LYS A 76 -0.960 9.538 -9.707 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.692 7.857 -7.467 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.227 10.452 -7.950 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.827 10.634 -7.259 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.762 9.026 -5.373 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.719 9.756 -5.958 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.036 11.159 -4.182 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.391 12.032 -5.660 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.436 12.264 -4.636 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.730 10.740 -5.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.097 11.107 -2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.715 9.597 -3.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.496 10.544 -2.817 1.00 0.00 H new ATOM 1154 N LEU A 77 -2.943 7.802 -6.223 1.00 0.00 N ATOM 1155 CA LEU A 77 -4.259 7.443 -5.706 1.00 0.00 C ATOM 1156 C LEU A 77 -4.603 8.270 -4.471 1.00 0.00 C ATOM 1157 O LEU A 77 -3.893 8.228 -3.465 1.00 0.00 O ATOM 1158 CB LEU A 77 -4.306 5.953 -5.365 1.00 0.00 C ATOM 1159 CG LEU A 77 -3.710 5.007 -6.409 1.00 0.00 C ATOM 1160 CD1 LEU A 77 -3.576 3.603 -5.841 1.00 0.00 C ATOM 1161 CD2 LEU A 77 -4.564 4.996 -7.668 1.00 0.00 C ATOM 0 H LEU A 77 -2.176 7.645 -5.569 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.996 7.656 -6.480 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.780 5.800 -4.423 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -5.346 5.671 -5.200 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.715 5.367 -6.672 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.150 2.944 -6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.923 3.624 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.559 3.233 -5.549 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.125 4.318 -8.400 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.571 4.661 -7.421 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.608 6.002 -8.086 1.00 0.00 H new ATOM 1173 N LYS A 78 -5.696 9.020 -4.552 1.00 0.00 N ATOM 1174 CA LYS A 78 -6.137 9.854 -3.441 1.00 0.00 C ATOM 1175 C LYS A 78 -6.691 8.999 -2.305 1.00 0.00 C ATOM 1176 O LYS A 78 -6.981 7.817 -2.490 1.00 0.00 O ATOM 1177 CB LYS A 78 -7.203 10.846 -3.912 1.00 0.00 C ATOM 1178 CG LYS A 78 -6.629 12.152 -4.435 1.00 0.00 C ATOM 1179 CD LYS A 78 -7.720 13.181 -4.681 1.00 0.00 C ATOM 1180 CE LYS A 78 -8.462 12.907 -5.980 1.00 0.00 C ATOM 1181 NZ LYS A 78 -7.628 13.221 -7.173 1.00 0.00 N ATOM 0 H LYS A 78 -6.294 9.067 -5.377 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.274 10.406 -3.070 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.799 10.381 -4.697 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.878 11.061 -3.084 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.909 12.547 -3.718 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.086 11.967 -5.362 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.425 13.172 -3.849 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.280 14.178 -4.715 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.762 11.860 -6.013 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.375 13.501 -6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.233 13.268 -8.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.155 14.137 -7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.912 12.478 -7.301 1.00 0.00 H new ATOM 1195 N ASP A 79 -6.835 9.605 -1.132 1.00 0.00 N ATOM 1196 CA ASP A 79 -7.357 8.899 0.034 1.00 0.00 C ATOM 1197 C ASP A 79 -8.881 8.941 0.057 1.00 0.00 C ATOM 1198 O ASP A 79 -9.509 8.509 1.023 1.00 0.00 O ATOM 1199 CB ASP A 79 -6.798 9.512 1.319 1.00 0.00 C ATOM 1200 CG ASP A 79 -6.854 11.027 1.311 1.00 0.00 C ATOM 1201 OD1 ASP A 79 -6.030 11.647 0.606 1.00 0.00 O ATOM 1202 OD2 ASP A 79 -7.722 11.592 2.008 1.00 0.00 O ATOM 0 H ASP A 79 -6.598 10.583 -0.962 1.00 0.00 H new ATOM 0 HA ASP A 79 -7.041 7.858 -0.030 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.361 9.135 2.173 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.765 9.190 1.452 1.00 0.00 H new ATOM 1207 N ASP A 80 -9.470 9.464 -1.013 1.00 0.00 N ATOM 1208 CA ASP A 80 -10.921 9.562 -1.116 1.00 0.00 C ATOM 1209 C ASP A 80 -11.458 8.596 -2.169 1.00 0.00 C ATOM 1210 O ASP A 80 -12.628 8.662 -2.545 1.00 0.00 O ATOM 1211 CB ASP A 80 -11.334 10.993 -1.462 1.00 0.00 C ATOM 1212 CG ASP A 80 -11.413 11.884 -0.238 1.00 0.00 C ATOM 1213 OD1 ASP A 80 -11.509 11.344 0.884 1.00 0.00 O ATOM 1214 OD2 ASP A 80 -11.381 13.122 -0.402 1.00 0.00 O ATOM 0 H ASP A 80 -8.965 9.827 -1.821 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.348 9.292 -0.150 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.619 11.414 -2.169 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -12.303 10.978 -1.960 1.00 0.00 H new ATOM 1219 N GLN A 81 -10.595 7.702 -2.639 1.00 0.00 N ATOM 1220 CA GLN A 81 -10.982 6.725 -3.649 1.00 0.00 C ATOM 1221 C GLN A 81 -11.072 5.326 -3.048 1.00 0.00 C ATOM 1222 O GLN A 81 -10.720 5.114 -1.887 1.00 0.00 O ATOM 1223 CB GLN A 81 -9.981 6.732 -4.806 1.00 0.00 C ATOM 1224 CG GLN A 81 -9.906 8.062 -5.538 1.00 0.00 C ATOM 1225 CD GLN A 81 -11.166 8.368 -6.324 1.00 0.00 C ATOM 1226 OE1 GLN A 81 -12.227 7.800 -6.063 1.00 0.00 O ATOM 1227 NE2 GLN A 81 -11.056 9.269 -7.293 1.00 0.00 N ATOM 0 H GLN A 81 -9.623 7.634 -2.337 1.00 0.00 H new ATOM 0 HA GLN A 81 -11.966 7.002 -4.027 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.992 6.482 -4.421 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -10.253 5.951 -5.516 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -9.730 8.860 -4.817 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.053 8.051 -6.216 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -10.157 9.715 -7.475 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -11.871 9.515 -7.856 1.00 0.00 H new ATOM 1236 N THR A 82 -11.546 4.374 -3.845 1.00 0.00 N ATOM 1237 CA THR A 82 -11.684 2.996 -3.391 1.00 0.00 C ATOM 1238 C THR A 82 -11.049 2.025 -4.380 1.00 0.00 C ATOM 1239 O THR A 82 -10.784 2.378 -5.529 1.00 0.00 O ATOM 1240 CB THR A 82 -13.164 2.615 -3.193 1.00 0.00 C ATOM 1241 OG1 THR A 82 -13.954 3.146 -4.263 1.00 0.00 O ATOM 1242 CG2 THR A 82 -13.684 3.138 -1.863 1.00 0.00 C ATOM 0 H THR A 82 -11.841 4.532 -4.809 1.00 0.00 H new ATOM 0 HA THR A 82 -11.167 2.925 -2.434 1.00 0.00 H new ATOM 0 HB THR A 82 -13.240 1.528 -3.192 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.893 2.898 -4.131 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.731 2.857 -1.746 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.099 2.708 -1.049 1.00 0.00 H new ATOM 0 HG23 THR A 82 -13.595 4.224 -1.839 1.00 0.00 H new ATOM 1250 N LEU A 83 -10.807 0.800 -3.926 1.00 0.00 N ATOM 1251 CA LEU A 83 -10.203 -0.224 -4.772 1.00 0.00 C ATOM 1252 C LEU A 83 -11.069 -0.498 -5.997 1.00 0.00 C ATOM 1253 O LEU A 83 -10.557 -0.768 -7.084 1.00 0.00 O ATOM 1254 CB LEU A 83 -10.000 -1.515 -3.978 1.00 0.00 C ATOM 1255 CG LEU A 83 -8.837 -1.516 -2.984 1.00 0.00 C ATOM 1256 CD1 LEU A 83 -7.540 -1.899 -3.680 1.00 0.00 C ATOM 1257 CD2 LEU A 83 -8.704 -0.154 -2.318 1.00 0.00 C ATOM 0 H LEU A 83 -11.020 0.492 -2.977 1.00 0.00 H new ATOM 0 HA LEU A 83 -9.234 0.144 -5.110 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -10.919 -1.730 -3.432 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -9.849 -2.332 -4.684 1.00 0.00 H new ATOM 0 HG LEU A 83 -9.044 -2.258 -2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -6.724 -1.894 -2.957 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -7.638 -2.896 -4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.327 -1.182 -4.473 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -7.872 -0.173 -1.614 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.520 0.606 -3.077 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.625 0.082 -1.785 1.00 0.00 H new ATOM 1269 N ASP A 84 -12.383 -0.426 -5.815 1.00 0.00 N ATOM 1270 CA ASP A 84 -13.321 -0.664 -6.906 1.00 0.00 C ATOM 1271 C ASP A 84 -13.409 0.554 -7.821 1.00 0.00 C ATOM 1272 O ASP A 84 -13.613 0.422 -9.028 1.00 0.00 O ATOM 1273 CB ASP A 84 -14.706 -1.002 -6.352 1.00 0.00 C ATOM 1274 CG ASP A 84 -15.810 -0.754 -7.361 1.00 0.00 C ATOM 1275 OD1 ASP A 84 -15.831 -1.447 -8.400 1.00 0.00 O ATOM 1276 OD2 ASP A 84 -16.653 0.133 -7.112 1.00 0.00 O ATOM 0 H ASP A 84 -12.823 -0.205 -4.922 1.00 0.00 H new ATOM 0 HA ASP A 84 -12.956 -1.509 -7.489 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -14.726 -2.048 -6.046 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -14.893 -0.405 -5.460 1.00 0.00 H new ATOM 1281 N PHE A 85 -13.255 1.738 -7.239 1.00 0.00 N ATOM 1282 CA PHE A 85 -13.319 2.979 -8.001 1.00 0.00 C ATOM 1283 C PHE A 85 -12.273 2.990 -9.112 1.00 0.00 C ATOM 1284 O PHE A 85 -12.568 3.344 -10.254 1.00 0.00 O ATOM 1285 CB PHE A 85 -13.111 4.182 -7.078 1.00 0.00 C ATOM 1286 CG PHE A 85 -13.061 5.495 -7.805 1.00 0.00 C ATOM 1287 CD1 PHE A 85 -11.930 5.866 -8.515 1.00 0.00 C ATOM 1288 CD2 PHE A 85 -14.144 6.358 -7.780 1.00 0.00 C ATOM 1289 CE1 PHE A 85 -11.881 7.074 -9.185 1.00 0.00 C ATOM 1290 CE2 PHE A 85 -14.101 7.567 -8.448 1.00 0.00 C ATOM 1291 CZ PHE A 85 -12.968 7.925 -9.152 1.00 0.00 C ATOM 0 H PHE A 85 -13.085 1.864 -6.241 1.00 0.00 H new ATOM 0 HA PHE A 85 -14.308 3.045 -8.455 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -13.918 4.212 -6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -12.182 4.048 -6.523 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -11.077 5.204 -8.545 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -15.033 6.083 -7.232 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -10.993 7.352 -9.734 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -14.952 8.231 -8.420 1.00 0.00 H new ATOM 0 HZ PHE A 85 -12.932 8.869 -9.676 1.00 0.00 H new ATOM 1301 N TYR A 86 -11.051 2.600 -8.769 1.00 0.00 N ATOM 1302 CA TYR A 86 -9.959 2.567 -9.735 1.00 0.00 C ATOM 1303 C TYR A 86 -9.977 1.267 -10.533 1.00 0.00 C ATOM 1304 O TYR A 86 -9.578 1.233 -11.696 1.00 0.00 O ATOM 1305 CB TYR A 86 -8.615 2.723 -9.023 1.00 0.00 C ATOM 1306 CG TYR A 86 -8.256 4.159 -8.714 1.00 0.00 C ATOM 1307 CD1 TYR A 86 -8.012 5.070 -9.735 1.00 0.00 C ATOM 1308 CD2 TYR A 86 -8.162 4.605 -7.402 1.00 0.00 C ATOM 1309 CE1 TYR A 86 -7.683 6.382 -9.457 1.00 0.00 C ATOM 1310 CE2 TYR A 86 -7.835 5.916 -7.114 1.00 0.00 C ATOM 1311 CZ TYR A 86 -7.596 6.801 -8.145 1.00 0.00 C ATOM 1312 OH TYR A 86 -7.270 8.108 -7.864 1.00 0.00 O ATOM 0 H TYR A 86 -10.791 2.302 -7.829 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.094 3.399 -10.427 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -8.638 2.155 -8.093 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -7.832 2.287 -9.643 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.081 4.746 -10.763 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -8.348 3.915 -6.593 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.495 7.077 -10.262 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.767 6.246 -6.088 1.00 0.00 H new ATOM 0 HH TYR A 86 -7.589 8.687 -8.587 1.00 0.00 H new ATOM 1322 N GLY A 87 -10.446 0.197 -9.898 1.00 0.00 N ATOM 1323 CA GLY A 87 -10.508 -1.092 -10.563 1.00 0.00 C ATOM 1324 C GLY A 87 -9.362 -2.003 -10.171 1.00 0.00 C ATOM 1325 O GLY A 87 -9.046 -2.956 -10.884 1.00 0.00 O ATOM 0 H GLY A 87 -10.784 0.200 -8.936 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.453 -1.577 -10.320 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.495 -0.941 -11.642 1.00 0.00 H new ATOM 1329 N ILE A 88 -8.736 -1.709 -9.037 1.00 0.00 N ATOM 1330 CA ILE A 88 -7.617 -2.508 -8.553 1.00 0.00 C ATOM 1331 C ILE A 88 -8.061 -3.927 -8.213 1.00 0.00 C ATOM 1332 O ILE A 88 -9.174 -4.140 -7.733 1.00 0.00 O ATOM 1333 CB ILE A 88 -6.968 -1.874 -7.308 1.00 0.00 C ATOM 1334 CG1 ILE A 88 -6.409 -0.490 -7.647 1.00 0.00 C ATOM 1335 CG2 ILE A 88 -5.871 -2.776 -6.764 1.00 0.00 C ATOM 1336 CD1 ILE A 88 -6.175 0.380 -6.432 1.00 0.00 C ATOM 0 H ILE A 88 -8.985 -0.923 -8.436 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.883 -2.542 -9.358 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.731 -1.759 -6.538 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.469 -0.609 -8.186 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.100 0.018 -8.320 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.423 -2.314 -5.885 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -6.296 -3.741 -6.489 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.107 -2.920 -7.528 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.779 1.345 -6.747 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.117 0.529 -5.904 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.460 -0.107 -5.768 1.00 0.00 H new ATOM 1348 N GLN A 89 -7.184 -4.892 -8.465 1.00 0.00 N ATOM 1349 CA GLN A 89 -7.486 -6.291 -8.185 1.00 0.00 C ATOM 1350 C GLN A 89 -6.359 -6.943 -7.390 1.00 0.00 C ATOM 1351 O GLN A 89 -5.220 -6.475 -7.384 1.00 0.00 O ATOM 1352 CB GLN A 89 -7.714 -7.057 -9.489 1.00 0.00 C ATOM 1353 CG GLN A 89 -9.159 -7.035 -9.962 1.00 0.00 C ATOM 1354 CD GLN A 89 -9.280 -7.112 -11.471 1.00 0.00 C ATOM 1355 OE1 GLN A 89 -8.933 -8.123 -12.082 1.00 0.00 O ATOM 1356 NE2 GLN A 89 -9.775 -6.041 -12.081 1.00 0.00 N ATOM 0 H GLN A 89 -6.258 -4.732 -8.863 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.396 -6.327 -7.587 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -7.079 -6.632 -10.266 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.401 -8.092 -9.352 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -9.696 -7.871 -9.515 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.639 -6.122 -9.609 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.050 -5.225 -11.535 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -9.880 -6.035 -13.096 1.00 0.00 H new ATOM 1365 N PRO A 90 -6.682 -8.048 -6.702 1.00 0.00 N ATOM 1366 CA PRO A 90 -5.710 -8.787 -5.891 1.00 0.00 C ATOM 1367 C PRO A 90 -4.669 -9.504 -6.743 1.00 0.00 C ATOM 1368 O PRO A 90 -4.836 -10.671 -7.094 1.00 0.00 O ATOM 1369 CB PRO A 90 -6.575 -9.802 -5.138 1.00 0.00 C ATOM 1370 CG PRO A 90 -7.776 -9.988 -6.000 1.00 0.00 C ATOM 1371 CD PRO A 90 -8.020 -8.661 -6.663 1.00 0.00 C ATOM 0 HA PRO A 90 -5.138 -8.127 -5.239 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -6.044 -10.742 -4.990 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.850 -9.432 -4.150 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -7.607 -10.769 -6.741 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -8.638 -10.292 -5.407 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -8.436 -8.782 -7.663 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.725 -8.052 -6.096 1.00 0.00 H new ATOM 1379 N GLY A 91 -3.593 -8.797 -7.074 1.00 0.00 N ATOM 1380 CA GLY A 91 -2.540 -9.382 -7.883 1.00 0.00 C ATOM 1381 C GLY A 91 -1.676 -8.335 -8.557 1.00 0.00 C ATOM 1382 O GLY A 91 -0.537 -8.609 -8.935 1.00 0.00 O ATOM 0 H GLY A 91 -3.432 -7.829 -6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -1.914 -10.016 -7.255 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -2.985 -10.025 -8.642 1.00 0.00 H new ATOM 1386 N SER A 92 -2.220 -7.131 -8.711 1.00 0.00 N ATOM 1387 CA SER A 92 -1.493 -6.040 -9.350 1.00 0.00 C ATOM 1388 C SER A 92 -0.320 -5.589 -8.485 1.00 0.00 C ATOM 1389 O SER A 92 -0.080 -6.136 -7.407 1.00 0.00 O ATOM 1390 CB SER A 92 -2.430 -4.860 -9.613 1.00 0.00 C ATOM 1391 OG SER A 92 -3.186 -5.063 -10.794 1.00 0.00 O ATOM 0 H SER A 92 -3.161 -6.887 -8.402 1.00 0.00 H new ATOM 0 HA SER A 92 -1.103 -6.404 -10.300 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.102 -4.729 -8.765 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.848 -3.943 -9.703 1.00 0.00 H new ATOM 0 HG SER A 92 -3.778 -4.296 -10.939 1.00 0.00 H new ATOM 1397 N THR A 93 0.410 -4.587 -8.965 1.00 0.00 N ATOM 1398 CA THR A 93 1.559 -4.062 -8.238 1.00 0.00 C ATOM 1399 C THR A 93 1.550 -2.538 -8.222 1.00 0.00 C ATOM 1400 O THR A 93 1.469 -1.897 -9.269 1.00 0.00 O ATOM 1401 CB THR A 93 2.884 -4.550 -8.854 1.00 0.00 C ATOM 1402 OG1 THR A 93 2.759 -5.915 -9.268 1.00 0.00 O ATOM 1403 CG2 THR A 93 4.025 -4.419 -7.856 1.00 0.00 C ATOM 0 H THR A 93 0.226 -4.123 -9.854 1.00 0.00 H new ATOM 0 HA THR A 93 1.483 -4.434 -7.216 1.00 0.00 H new ATOM 0 HB THR A 93 3.107 -3.928 -9.721 1.00 0.00 H new ATOM 0 HG1 THR A 93 3.605 -6.217 -9.660 1.00 0.00 H new ATOM 0 HG21 THR A 93 4.950 -4.770 -8.313 1.00 0.00 H new ATOM 0 HG22 THR A 93 4.137 -3.374 -7.566 1.00 0.00 H new ATOM 0 HG23 THR A 93 3.807 -5.019 -6.973 1.00 0.00 H new ATOM 1411 N VAL A 94 1.635 -1.963 -7.026 1.00 0.00 N ATOM 1412 CA VAL A 94 1.638 -0.513 -6.874 1.00 0.00 C ATOM 1413 C VAL A 94 3.048 0.010 -6.620 1.00 0.00 C ATOM 1414 O VAL A 94 3.962 -0.759 -6.322 1.00 0.00 O ATOM 1415 CB VAL A 94 0.722 -0.068 -5.719 1.00 0.00 C ATOM 1416 CG1 VAL A 94 -0.686 -0.609 -5.915 1.00 0.00 C ATOM 1417 CG2 VAL A 94 1.293 -0.517 -4.383 1.00 0.00 C ATOM 0 H VAL A 94 1.703 -2.479 -6.149 1.00 0.00 H new ATOM 0 HA VAL A 94 1.261 -0.096 -7.808 1.00 0.00 H new ATOM 0 HB VAL A 94 0.670 1.021 -5.719 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.319 -0.284 -5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -1.093 -0.233 -6.854 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -0.657 -1.698 -5.943 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.633 -0.194 -3.578 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.376 -1.604 -4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.280 -0.076 -4.242 1.00 0.00 H new ATOM 1427 N HIS A 95 3.216 1.323 -6.741 1.00 0.00 N ATOM 1428 CA HIS A 95 4.515 1.950 -6.523 1.00 0.00 C ATOM 1429 C HIS A 95 4.417 3.053 -5.475 1.00 0.00 C ATOM 1430 O HIS A 95 3.486 3.858 -5.491 1.00 0.00 O ATOM 1431 CB HIS A 95 5.055 2.523 -7.834 1.00 0.00 C ATOM 1432 CG HIS A 95 5.468 1.474 -8.821 1.00 0.00 C ATOM 1433 ND1 HIS A 95 6.683 0.826 -8.766 1.00 0.00 N ATOM 1434 CD2 HIS A 95 4.818 0.961 -9.892 1.00 0.00 C ATOM 1435 CE1 HIS A 95 6.764 -0.040 -9.761 1.00 0.00 C ATOM 1436 NE2 HIS A 95 5.645 0.023 -10.459 1.00 0.00 N ATOM 0 H HIS A 95 2.470 1.973 -6.989 1.00 0.00 H new ATOM 0 HA HIS A 95 5.202 1.187 -6.158 1.00 0.00 H new ATOM 0 HB2 HIS A 95 4.291 3.155 -8.287 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.910 3.162 -7.616 1.00 0.00 H new ATOM 0 HD2 HIS A 95 3.833 1.238 -10.236 1.00 0.00 H new ATOM 0 HE1 HIS A 95 7.602 -0.689 -9.968 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.430 -0.535 -11.285 1.00 0.00 H new ATOM 1445 N VAL A 96 5.384 3.084 -4.563 1.00 0.00 N ATOM 1446 CA VAL A 96 5.407 4.089 -3.506 1.00 0.00 C ATOM 1447 C VAL A 96 6.217 5.310 -3.927 1.00 0.00 C ATOM 1448 O VAL A 96 7.304 5.183 -4.491 1.00 0.00 O ATOM 1449 CB VAL A 96 5.996 3.519 -2.202 1.00 0.00 C ATOM 1450 CG1 VAL A 96 6.327 4.642 -1.231 1.00 0.00 C ATOM 1451 CG2 VAL A 96 5.033 2.525 -1.573 1.00 0.00 C ATOM 0 H VAL A 96 6.162 2.425 -4.535 1.00 0.00 H new ATOM 0 HA VAL A 96 4.373 4.386 -3.329 1.00 0.00 H new ATOM 0 HB VAL A 96 6.920 2.993 -2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 96 6.742 4.221 -0.315 1.00 0.00 H new ATOM 0 HG12 VAL A 96 7.057 5.312 -1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 96 5.420 5.199 -0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.465 2.132 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.091 3.024 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.852 1.705 -2.268 1.00 0.00 H new ATOM 1461 N LEU A 97 5.682 6.493 -3.647 1.00 0.00 N ATOM 1462 CA LEU A 97 6.356 7.739 -3.995 1.00 0.00 C ATOM 1463 C LEU A 97 6.441 8.668 -2.788 1.00 0.00 C ATOM 1464 O LEU A 97 5.439 8.933 -2.124 1.00 0.00 O ATOM 1465 CB LEU A 97 5.619 8.438 -5.140 1.00 0.00 C ATOM 1466 CG LEU A 97 6.461 9.374 -6.008 1.00 0.00 C ATOM 1467 CD1 LEU A 97 7.050 10.495 -5.167 1.00 0.00 C ATOM 1468 CD2 LEU A 97 7.563 8.598 -6.714 1.00 0.00 C ATOM 0 H LEU A 97 4.784 6.616 -3.180 1.00 0.00 H new ATOM 0 HA LEU A 97 7.369 7.498 -4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.181 7.675 -5.783 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.794 9.011 -4.718 1.00 0.00 H new ATOM 0 HG LEU A 97 5.814 9.817 -6.765 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.646 11.151 -5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 97 6.244 11.068 -4.708 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.683 10.071 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.152 9.280 -7.327 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.208 8.127 -5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.119 7.831 -7.348 1.00 0.00 H new ATOM 1480 N ARG A 98 7.644 9.161 -2.512 1.00 0.00 N ATOM 1481 CA ARG A 98 7.860 10.061 -1.385 1.00 0.00 C ATOM 1482 C ARG A 98 7.492 11.495 -1.757 1.00 0.00 C ATOM 1483 O ARG A 98 7.899 12.000 -2.803 1.00 0.00 O ATOM 1484 CB ARG A 98 9.318 9.999 -0.928 1.00 0.00 C ATOM 1485 CG ARG A 98 9.644 8.771 -0.094 1.00 0.00 C ATOM 1486 CD ARG A 98 10.890 8.986 0.751 1.00 0.00 C ATOM 1487 NE ARG A 98 12.092 9.110 -0.068 1.00 0.00 N ATOM 1488 CZ ARG A 98 13.319 9.189 0.435 1.00 0.00 C ATOM 1489 NH1 ARG A 98 13.504 9.157 1.748 1.00 0.00 N ATOM 1490 NH2 ARG A 98 14.364 9.300 -0.375 1.00 0.00 N ATOM 0 H ARG A 98 8.483 8.953 -3.053 1.00 0.00 H new ATOM 0 HA ARG A 98 7.216 9.740 -0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.965 10.014 -1.805 1.00 0.00 H new ATOM 0 HB3 ARG A 98 9.546 10.893 -0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 98 8.800 8.535 0.554 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.791 7.913 -0.750 1.00 0.00 H new ATOM 0 HD2 ARG A 98 10.768 9.886 1.354 1.00 0.00 H new ATOM 0 HD3 ARG A 98 11.007 8.152 1.443 1.00 0.00 H new ATOM 0 HE ARG A 98 11.984 9.137 -1.082 1.00 0.00 H new ATOM 0 HH11 ARG A 98 12.703 9.072 2.374 1.00 0.00 H new ATOM 0 HH12 ARG A 98 14.447 9.218 2.132 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.226 9.325 -1.385 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.306 9.361 0.013 1.00 0.00 H new