USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 663 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 43 HIS : no HD1:sc= 0 X(o=-0.86,f=-1.1) USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= -0.857 USER MOD Set 2.1: A 20 THR OG1 : rot 31:sc= 1.35 USER MOD Set 2.2: A 23 THR OG1 : rot -4:sc= 0.206 USER MOD Set 2.3: A 62 GLN :FLIP amide:sc= -0.913 F(o=-0.69!,f=0.64) USER MOD Set 3.1: A 17 LYS NZ :NH3+ 170:sc= 1.23 (180deg=0) USER MOD Set 3.2: A 27 THR OG1 : rot 23:sc= 0.316 USER MOD Single : A 29 THR OG1 : rot -160:sc= -0.619 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 19:sc= 0.0584 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.052) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 HIS :FLIP no HD1:sc= -1.88 F(o=-2.8,f=-1.9) USER MOD Single : A 69 SER OG : rot -53:sc= 0.364 USER MOD Single : A 70 THR OG1 : rot 53:sc= -0.803 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 119:sc= 1.15 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 GLN : amide:sc= -0.67 K(o=-0.67,f=-2.1!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 83 SER OG : rot 6:sc= 0.497 USER MOD Single : A 89 SER OG : rot 28:sc= 0.0552 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 43:sc= 0.0402 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 179:sc= 1.49 USER MOD ----------------------------------------------------------------- ATOM 85 N GLU A 9 15.712 -4.667 -2.927 1.00 0.00 N ATOM 86 CA GLU A 9 14.648 -5.317 -2.171 1.00 0.00 C ATOM 87 C GLU A 9 13.351 -4.518 -2.262 1.00 0.00 C ATOM 88 O GLU A 9 13.320 -3.426 -2.827 1.00 0.00 O ATOM 89 CB GLU A 9 15.059 -5.480 -0.706 1.00 0.00 C ATOM 90 CG GLU A 9 16.088 -6.574 -0.481 1.00 0.00 C ATOM 91 CD GLU A 9 15.483 -7.963 -0.527 1.00 0.00 C ATOM 92 OE1 GLU A 9 14.390 -8.115 -1.112 1.00 0.00 O ATOM 93 OE2 GLU A 9 16.100 -8.899 0.023 1.00 0.00 O ATOM 0 HA GLU A 9 14.478 -6.303 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 9 15.461 -4.534 -0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.172 -5.699 -0.111 1.00 0.00 H new ATOM 0 HG2 GLU A 9 16.867 -6.496 -1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 9 16.568 -6.423 0.486 1.00 0.00 H new ATOM 100 N ALA A 10 12.281 -5.073 -1.701 1.00 0.00 N ATOM 101 CA ALA A 10 10.982 -4.414 -1.716 1.00 0.00 C ATOM 102 C ALA A 10 10.236 -4.639 -0.405 1.00 0.00 C ATOM 103 O ALA A 10 10.626 -5.460 0.425 1.00 0.00 O ATOM 104 CB ALA A 10 10.152 -4.910 -2.890 1.00 0.00 C ATOM 0 H ALA A 10 12.289 -5.978 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 10 11.148 -3.343 -1.829 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.184 -4.409 -2.889 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.673 -4.691 -3.822 1.00 0.00 H new ATOM 0 HB3 ALA A 10 10.004 -5.986 -2.802 1.00 0.00 H new ATOM 110 N PRO A 11 9.137 -3.895 -0.213 1.00 0.00 N ATOM 111 CA PRO A 11 8.314 -3.996 0.995 1.00 0.00 C ATOM 112 C PRO A 11 7.552 -5.315 1.069 1.00 0.00 C ATOM 113 O PRO A 11 6.611 -5.542 0.309 1.00 0.00 O ATOM 114 CB PRO A 11 7.339 -2.823 0.860 1.00 0.00 C ATOM 115 CG PRO A 11 7.256 -2.567 -0.605 1.00 0.00 C ATOM 116 CD PRO A 11 8.613 -2.897 -1.161 1.00 0.00 C ATOM 0 HA PRO A 11 8.917 -3.965 1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.362 -3.071 1.275 1.00 0.00 H new ATOM 0 HB3 PRO A 11 7.699 -1.945 1.396 1.00 0.00 H new ATOM 0 HG2 PRO A 11 6.485 -3.184 -1.066 1.00 0.00 H new ATOM 0 HG3 PRO A 11 6.994 -1.528 -0.805 1.00 0.00 H new ATOM 0 HD2 PRO A 11 8.546 -3.299 -2.172 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.252 -2.015 -1.211 1.00 0.00 H new ATOM 124 N ARG A 12 7.965 -6.181 1.989 1.00 0.00 N ATOM 125 CA ARG A 12 7.321 -7.478 2.161 1.00 0.00 C ATOM 126 C ARG A 12 6.313 -7.437 3.305 1.00 0.00 C ATOM 127 O ARG A 12 6.406 -6.594 4.198 1.00 0.00 O ATOM 128 CB ARG A 12 8.369 -8.559 2.429 1.00 0.00 C ATOM 129 CG ARG A 12 7.882 -9.967 2.129 1.00 0.00 C ATOM 130 CD ARG A 12 8.760 -11.015 2.796 1.00 0.00 C ATOM 131 NE ARG A 12 8.036 -12.258 3.044 1.00 0.00 N ATOM 132 CZ ARG A 12 8.625 -13.392 3.410 1.00 0.00 C ATOM 133 NH1 ARG A 12 9.940 -13.437 3.569 1.00 0.00 N ATOM 134 NH2 ARG A 12 7.898 -14.482 3.617 1.00 0.00 N ATOM 0 H ARG A 12 8.742 -6.008 2.626 1.00 0.00 H new ATOM 0 HA ARG A 12 6.789 -7.717 1.240 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.253 -8.353 1.826 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.676 -8.505 3.473 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.854 -10.079 2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 12 7.876 -10.129 1.051 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.624 -11.219 2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.140 -10.622 3.739 1.00 0.00 H new ATOM 0 HE ARG A 12 7.022 -12.256 2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.502 -12.601 3.410 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.390 -14.308 3.850 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.886 -14.451 3.495 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.351 -15.352 3.898 1.00 0.00 H new ATOM 148 N ASP A 13 5.350 -8.351 3.272 1.00 0.00 N ATOM 149 CA ASP A 13 4.324 -8.421 4.306 1.00 0.00 C ATOM 150 C ASP A 13 3.424 -7.190 4.261 1.00 0.00 C ATOM 151 O ASP A 13 3.224 -6.517 5.273 1.00 0.00 O ATOM 152 CB ASP A 13 4.970 -8.545 5.687 1.00 0.00 C ATOM 153 CG ASP A 13 6.119 -9.534 5.702 1.00 0.00 C ATOM 154 OD1 ASP A 13 7.133 -9.275 5.021 1.00 0.00 O ATOM 155 OD2 ASP A 13 6.004 -10.567 6.394 1.00 0.00 O ATOM 0 H ASP A 13 5.258 -9.055 2.539 1.00 0.00 H new ATOM 0 HA ASP A 13 3.713 -9.304 4.119 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.332 -7.567 6.005 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.217 -8.857 6.411 1.00 0.00 H new ATOM 160 N LEU A 14 2.883 -6.902 3.082 1.00 0.00 N ATOM 161 CA LEU A 14 2.004 -5.752 2.904 1.00 0.00 C ATOM 162 C LEU A 14 0.568 -6.100 3.284 1.00 0.00 C ATOM 163 O LEU A 14 -0.131 -6.788 2.541 1.00 0.00 O ATOM 164 CB LEU A 14 2.056 -5.264 1.456 1.00 0.00 C ATOM 165 CG LEU A 14 0.987 -4.248 1.050 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.302 -2.880 1.635 1.00 0.00 C ATOM 167 CD2 LEU A 14 0.874 -4.170 -0.465 1.00 0.00 C ATOM 0 H LEU A 14 3.038 -7.449 2.235 1.00 0.00 H new ATOM 0 HA LEU A 14 2.352 -4.955 3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.036 -4.821 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.974 -6.130 0.799 1.00 0.00 H new ATOM 0 HG LEU A 14 0.028 -4.578 1.449 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.531 -2.170 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.331 -2.947 2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.270 -2.541 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.109 -3.442 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.832 -3.863 -0.886 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.601 -5.148 -0.860 1.00 0.00 H new ATOM 179 N GLU A 15 0.135 -5.619 4.445 1.00 0.00 N ATOM 180 CA GLU A 15 -1.219 -5.878 4.922 1.00 0.00 C ATOM 181 C GLU A 15 -1.846 -4.612 5.496 1.00 0.00 C ATOM 182 O GLU A 15 -1.150 -3.750 6.033 1.00 0.00 O ATOM 183 CB GLU A 15 -1.207 -6.981 5.982 1.00 0.00 C ATOM 184 CG GLU A 15 -2.592 -7.377 6.465 1.00 0.00 C ATOM 185 CD GLU A 15 -3.324 -8.261 5.474 1.00 0.00 C ATOM 186 OE1 GLU A 15 -3.088 -8.110 4.257 1.00 0.00 O ATOM 187 OE2 GLU A 15 -4.134 -9.103 5.915 1.00 0.00 O ATOM 0 H GLU A 15 0.702 -5.048 5.072 1.00 0.00 H new ATOM 0 HA GLU A 15 -1.819 -6.206 4.073 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.709 -7.860 5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.616 -6.647 6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.505 -7.900 7.417 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.180 -6.478 6.648 1.00 0.00 H new ATOM 194 N ALA A 16 -3.165 -4.506 5.380 1.00 0.00 N ATOM 195 CA ALA A 16 -3.887 -3.346 5.889 1.00 0.00 C ATOM 196 C ALA A 16 -4.090 -3.444 7.397 1.00 0.00 C ATOM 197 O ALA A 16 -4.554 -4.464 7.907 1.00 0.00 O ATOM 198 CB ALA A 16 -5.227 -3.207 5.182 1.00 0.00 C ATOM 0 H ALA A 16 -3.756 -5.210 4.938 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.288 -2.458 5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.755 -2.337 5.572 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.062 -3.082 4.112 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.824 -4.102 5.355 1.00 0.00 H new ATOM 204 N LYS A 17 -3.738 -2.377 8.107 1.00 0.00 N ATOM 205 CA LYS A 17 -3.881 -2.342 9.557 1.00 0.00 C ATOM 206 C LYS A 17 -4.858 -1.249 9.981 1.00 0.00 C ATOM 207 O LYS A 17 -5.156 -0.338 9.209 1.00 0.00 O ATOM 208 CB LYS A 17 -2.521 -2.109 10.219 1.00 0.00 C ATOM 209 CG LYS A 17 -1.480 -3.153 9.853 1.00 0.00 C ATOM 210 CD LYS A 17 -1.476 -4.308 10.841 1.00 0.00 C ATOM 211 CE LYS A 17 -1.032 -5.604 10.182 1.00 0.00 C ATOM 212 NZ LYS A 17 0.443 -5.647 9.981 1.00 0.00 N ATOM 0 H LYS A 17 -3.351 -1.525 7.701 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.276 -3.305 9.881 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.151 -1.124 9.934 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.650 -2.100 11.301 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.680 -3.531 8.851 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.493 -2.691 9.828 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.811 -4.075 11.672 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.475 -4.435 11.258 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.339 -6.449 10.798 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.533 -5.713 9.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.726 -6.604 9.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.713 -4.966 9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.922 -5.401 10.871 1.00 0.00 H new ATOM 226 N GLU A 18 -5.350 -1.347 11.212 1.00 0.00 N ATOM 227 CA GLU A 18 -6.292 -0.365 11.737 1.00 0.00 C ATOM 228 C GLU A 18 -7.241 0.118 10.643 1.00 0.00 C ATOM 229 O GLU A 18 -7.413 1.320 10.441 1.00 0.00 O ATOM 230 CB GLU A 18 -5.542 0.825 12.338 1.00 0.00 C ATOM 231 CG GLU A 18 -4.585 0.440 13.454 1.00 0.00 C ATOM 232 CD GLU A 18 -5.277 -0.287 14.590 1.00 0.00 C ATOM 233 OE1 GLU A 18 -6.306 0.223 15.081 1.00 0.00 O ATOM 234 OE2 GLU A 18 -4.790 -1.366 14.989 1.00 0.00 O ATOM 0 H GLU A 18 -5.113 -2.095 11.863 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.880 -0.846 12.518 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.983 1.328 11.549 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.266 1.543 12.723 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.796 -0.194 13.049 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.104 1.338 13.842 1.00 0.00 H new ATOM 241 N VAL A 19 -7.853 -0.829 9.938 1.00 0.00 N ATOM 242 CA VAL A 19 -8.784 -0.501 8.865 1.00 0.00 C ATOM 243 C VAL A 19 -10.079 0.082 9.420 1.00 0.00 C ATOM 244 O VAL A 19 -10.757 -0.545 10.235 1.00 0.00 O ATOM 245 CB VAL A 19 -9.116 -1.740 8.012 1.00 0.00 C ATOM 246 CG1 VAL A 19 -10.164 -1.401 6.964 1.00 0.00 C ATOM 247 CG2 VAL A 19 -7.856 -2.290 7.361 1.00 0.00 C ATOM 0 H VAL A 19 -7.721 -1.829 10.091 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.294 0.243 8.237 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.526 -2.511 8.664 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.386 -2.288 6.371 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -11.073 -1.057 7.457 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -9.785 -0.614 6.312 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.108 -3.165 6.762 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.415 -1.527 6.720 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.141 -2.573 8.134 1.00 0.00 H new ATOM 257 N THR A 20 -10.419 1.286 8.973 1.00 0.00 N ATOM 258 CA THR A 20 -11.633 1.955 9.425 1.00 0.00 C ATOM 259 C THR A 20 -12.270 2.758 8.297 1.00 0.00 C ATOM 260 O THR A 20 -11.620 3.123 7.317 1.00 0.00 O ATOM 261 CB THR A 20 -11.348 2.895 10.611 1.00 0.00 C ATOM 262 OG1 THR A 20 -10.023 3.428 10.507 1.00 0.00 O ATOM 263 CG2 THR A 20 -11.501 2.159 11.934 1.00 0.00 C ATOM 0 H THR A 20 -9.871 1.819 8.298 1.00 0.00 H new ATOM 0 HA THR A 20 -12.323 1.175 9.747 1.00 0.00 H new ATOM 0 HB THR A 20 -12.071 3.710 10.581 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.775 3.506 9.562 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.295 2.843 12.757 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.519 1.780 12.024 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.799 1.326 11.970 1.00 0.00 H new ATOM 271 N PRO A 21 -13.574 3.043 8.435 1.00 0.00 N ATOM 272 CA PRO A 21 -14.328 3.807 7.437 1.00 0.00 C ATOM 273 C PRO A 21 -13.912 5.274 7.395 1.00 0.00 C ATOM 274 O PRO A 21 -14.405 6.045 6.573 1.00 0.00 O ATOM 275 CB PRO A 21 -15.777 3.676 7.911 1.00 0.00 C ATOM 276 CG PRO A 21 -15.676 3.429 9.377 1.00 0.00 C ATOM 277 CD PRO A 21 -14.412 2.640 9.577 1.00 0.00 C ATOM 0 HA PRO A 21 -14.160 3.435 6.426 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -16.346 4.582 7.701 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -16.286 2.855 7.406 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.642 4.368 9.930 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -16.543 2.877 9.740 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -13.936 2.878 10.528 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -14.604 1.567 9.576 1.00 0.00 H new ATOM 285 N ARG A 22 -13.001 5.652 8.286 1.00 0.00 N ATOM 286 CA ARG A 22 -12.519 7.026 8.351 1.00 0.00 C ATOM 287 C ARG A 22 -11.043 7.103 7.972 1.00 0.00 C ATOM 288 O ARG A 22 -10.558 8.145 7.529 1.00 0.00 O ATOM 289 CB ARG A 22 -12.727 7.597 9.755 1.00 0.00 C ATOM 290 CG ARG A 22 -14.178 7.915 10.074 1.00 0.00 C ATOM 291 CD ARG A 22 -14.572 9.293 9.564 1.00 0.00 C ATOM 292 NE ARG A 22 -16.019 9.436 9.436 1.00 0.00 N ATOM 293 CZ ARG A 22 -16.638 10.610 9.367 1.00 0.00 C ATOM 294 NH1 ARG A 22 -15.939 11.735 9.415 1.00 0.00 N ATOM 295 NH2 ARG A 22 -17.959 10.658 9.251 1.00 0.00 N ATOM 0 H ARG A 22 -12.582 5.025 8.973 1.00 0.00 H new ATOM 0 HA ARG A 22 -13.091 7.619 7.637 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.351 6.883 10.488 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.133 8.505 9.860 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.824 7.161 9.624 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -14.334 7.867 11.152 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.191 10.054 10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -14.103 9.469 8.596 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.586 8.589 9.397 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -14.924 11.701 9.505 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.416 12.635 9.362 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.500 9.794 9.215 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.434 11.559 9.198 1.00 0.00 H new ATOM 309 N THR A 23 -10.333 5.994 8.150 1.00 0.00 N ATOM 310 CA THR A 23 -8.912 5.936 7.830 1.00 0.00 C ATOM 311 C THR A 23 -8.454 4.497 7.620 1.00 0.00 C ATOM 312 O THR A 23 -9.131 3.554 8.030 1.00 0.00 O ATOM 313 CB THR A 23 -8.059 6.578 8.940 1.00 0.00 C ATOM 314 OG1 THR A 23 -8.251 5.876 10.173 1.00 0.00 O ATOM 315 CG2 THR A 23 -8.423 8.043 9.122 1.00 0.00 C ATOM 0 H THR A 23 -10.719 5.123 8.514 1.00 0.00 H new ATOM 0 HA THR A 23 -8.773 6.497 6.906 1.00 0.00 H new ATOM 0 HB THR A 23 -7.011 6.514 8.646 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.936 5.186 10.053 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.808 8.475 9.911 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.248 8.580 8.190 1.00 0.00 H new ATOM 0 HG23 THR A 23 -9.475 8.125 9.396 1.00 0.00 H new ATOM 323 N ALA A 24 -7.301 4.335 6.980 1.00 0.00 N ATOM 324 CA ALA A 24 -6.751 3.011 6.719 1.00 0.00 C ATOM 325 C ALA A 24 -5.227 3.047 6.678 1.00 0.00 C ATOM 326 O ALA A 24 -4.634 3.632 5.771 1.00 0.00 O ATOM 327 CB ALA A 24 -7.303 2.458 5.413 1.00 0.00 C ATOM 0 H ALA A 24 -6.729 5.105 6.632 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.051 2.353 7.535 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.884 1.469 5.231 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -8.389 2.386 5.479 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.033 3.123 4.593 1.00 0.00 H new ATOM 333 N LEU A 25 -4.599 2.419 7.665 1.00 0.00 N ATOM 334 CA LEU A 25 -3.142 2.380 7.743 1.00 0.00 C ATOM 335 C LEU A 25 -2.592 1.153 7.024 1.00 0.00 C ATOM 336 O LEU A 25 -3.210 0.088 7.027 1.00 0.00 O ATOM 337 CB LEU A 25 -2.690 2.375 9.204 1.00 0.00 C ATOM 338 CG LEU A 25 -1.180 2.314 9.439 1.00 0.00 C ATOM 339 CD1 LEU A 25 -0.595 3.716 9.515 1.00 0.00 C ATOM 340 CD2 LEU A 25 -0.868 1.535 10.708 1.00 0.00 C ATOM 0 H LEU A 25 -5.075 1.930 8.423 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.752 3.271 7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.077 3.273 9.686 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.150 1.522 9.703 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.722 1.796 8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.480 3.653 9.683 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.786 4.241 8.579 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.059 4.260 10.338 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.211 1.502 10.859 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.339 2.025 11.561 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.252 0.519 10.615 1.00 0.00 H new ATOM 352 N LEU A 26 -1.424 1.308 6.409 1.00 0.00 N ATOM 353 CA LEU A 26 -0.788 0.212 5.687 1.00 0.00 C ATOM 354 C LEU A 26 0.631 -0.024 6.195 1.00 0.00 C ATOM 355 O LEU A 26 1.515 0.814 6.014 1.00 0.00 O ATOM 356 CB LEU A 26 -0.761 0.511 4.187 1.00 0.00 C ATOM 357 CG LEU A 26 -2.052 0.218 3.421 1.00 0.00 C ATOM 358 CD1 LEU A 26 -2.144 1.089 2.177 1.00 0.00 C ATOM 359 CD2 LEU A 26 -2.129 -1.256 3.050 1.00 0.00 C ATOM 0 H LEU A 26 -0.899 2.182 6.396 1.00 0.00 H new ATOM 0 HA LEU A 26 -1.372 -0.692 5.861 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.512 1.564 4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.045 -0.068 3.736 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.897 0.454 4.067 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.069 0.867 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.136 2.140 2.467 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.293 0.886 1.527 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.054 -1.446 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.278 -1.518 2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.111 -1.861 3.957 1.00 0.00 H new ATOM 371 N THR A 27 0.842 -1.172 6.831 1.00 0.00 N ATOM 372 CA THR A 27 2.153 -1.519 7.365 1.00 0.00 C ATOM 373 C THR A 27 2.882 -2.492 6.445 1.00 0.00 C ATOM 374 O THR A 27 2.344 -3.537 6.081 1.00 0.00 O ATOM 375 CB THR A 27 2.041 -2.145 8.768 1.00 0.00 C ATOM 376 OG1 THR A 27 1.300 -3.369 8.701 1.00 0.00 O ATOM 377 CG2 THR A 27 1.361 -1.187 9.735 1.00 0.00 C ATOM 0 H THR A 27 0.122 -1.877 6.989 1.00 0.00 H new ATOM 0 HA THR A 27 2.721 -0.591 7.433 1.00 0.00 H new ATOM 0 HB THR A 27 3.048 -2.350 9.132 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.348 -3.731 7.791 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.293 -1.651 10.719 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.943 -0.268 9.806 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.359 -0.955 9.373 1.00 0.00 H new ATOM 385 N TRP A 28 4.107 -2.141 6.072 1.00 0.00 N ATOM 386 CA TRP A 28 4.910 -2.984 5.194 1.00 0.00 C ATOM 387 C TRP A 28 6.305 -3.200 5.771 1.00 0.00 C ATOM 388 O TRP A 28 6.797 -2.385 6.553 1.00 0.00 O ATOM 389 CB TRP A 28 5.012 -2.356 3.803 1.00 0.00 C ATOM 390 CG TRP A 28 5.818 -1.092 3.779 1.00 0.00 C ATOM 391 CD1 TRP A 28 7.180 -0.989 3.786 1.00 0.00 C ATOM 392 CD2 TRP A 28 5.312 0.247 3.748 1.00 0.00 C ATOM 393 NE1 TRP A 28 7.551 0.334 3.760 1.00 0.00 N ATOM 394 CE2 TRP A 28 6.423 1.112 3.736 1.00 0.00 C ATOM 395 CE3 TRP A 28 4.028 0.799 3.727 1.00 0.00 C ATOM 396 CZ2 TRP A 28 6.288 2.497 3.705 1.00 0.00 C ATOM 397 CZ3 TRP A 28 3.895 2.174 3.697 1.00 0.00 C ATOM 398 CH2 TRP A 28 5.019 3.011 3.685 1.00 0.00 C ATOM 0 H TRP A 28 4.566 -1.278 6.364 1.00 0.00 H new ATOM 0 HA TRP A 28 4.417 -3.953 5.113 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.460 -3.077 3.119 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.009 -2.146 3.433 1.00 0.00 H new ATOM 0 HD1 TRP A 28 7.864 -1.824 3.809 1.00 0.00 H new ATOM 0 HE1 TRP A 28 8.510 0.681 3.759 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.156 0.162 3.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 7.153 3.143 3.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.908 2.611 3.683 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.882 4.082 3.659 1.00 0.00 H new ATOM 409 N THR A 29 6.938 -4.302 5.382 1.00 0.00 N ATOM 410 CA THR A 29 8.276 -4.625 5.861 1.00 0.00 C ATOM 411 C THR A 29 9.342 -3.905 5.043 1.00 0.00 C ATOM 412 O THR A 29 9.726 -4.365 3.968 1.00 0.00 O ATOM 413 CB THR A 29 8.541 -6.141 5.809 1.00 0.00 C ATOM 414 OG1 THR A 29 7.527 -6.841 6.540 1.00 0.00 O ATOM 415 CG2 THR A 29 9.909 -6.472 6.386 1.00 0.00 C ATOM 0 H THR A 29 6.545 -4.986 4.736 1.00 0.00 H new ATOM 0 HA THR A 29 8.330 -4.290 6.897 1.00 0.00 H new ATOM 0 HB THR A 29 8.519 -6.456 4.766 1.00 0.00 H new ATOM 0 HG1 THR A 29 7.852 -7.735 6.776 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.073 -7.549 6.338 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.680 -5.961 5.809 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.955 -6.144 7.424 1.00 0.00 H new ATOM 423 N GLU A 30 9.816 -2.776 5.559 1.00 0.00 N ATOM 424 CA GLU A 30 10.838 -1.993 4.874 1.00 0.00 C ATOM 425 C GLU A 30 12.059 -2.852 4.558 1.00 0.00 C ATOM 426 O GLU A 30 12.582 -3.570 5.411 1.00 0.00 O ATOM 427 CB GLU A 30 11.252 -0.794 5.729 1.00 0.00 C ATOM 428 CG GLU A 30 10.377 0.431 5.524 1.00 0.00 C ATOM 429 CD GLU A 30 10.972 1.683 6.140 1.00 0.00 C ATOM 430 OE1 GLU A 30 10.786 1.892 7.357 1.00 0.00 O ATOM 431 OE2 GLU A 30 11.624 2.453 5.404 1.00 0.00 O ATOM 0 H GLU A 30 9.509 -2.383 6.449 1.00 0.00 H new ATOM 0 HA GLU A 30 10.416 -1.632 3.936 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.221 -1.080 6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.285 -0.534 5.500 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.228 0.592 4.456 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.395 0.248 5.959 1.00 0.00 H new ATOM 438 N PRO A 31 12.525 -2.779 3.302 1.00 0.00 N ATOM 439 CA PRO A 31 13.689 -3.542 2.843 1.00 0.00 C ATOM 440 C PRO A 31 14.990 -3.040 3.459 1.00 0.00 C ATOM 441 O PRO A 31 15.045 -1.974 4.073 1.00 0.00 O ATOM 442 CB PRO A 31 13.690 -3.312 1.330 1.00 0.00 C ATOM 443 CG PRO A 31 12.984 -2.013 1.144 1.00 0.00 C ATOM 444 CD PRO A 31 11.950 -1.944 2.234 1.00 0.00 C ATOM 0 HA PRO A 31 13.626 -4.592 3.128 1.00 0.00 H new ATOM 0 HB2 PRO A 31 14.706 -3.270 0.937 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.178 -4.119 0.806 1.00 0.00 H new ATOM 0 HG2 PRO A 31 13.680 -1.177 1.213 1.00 0.00 H new ATOM 0 HG3 PRO A 31 12.518 -1.959 0.160 1.00 0.00 H new ATOM 0 HD2 PRO A 31 11.787 -0.920 2.569 1.00 0.00 H new ATOM 0 HD3 PRO A 31 10.986 -2.327 1.899 1.00 0.00 H new ATOM 452 N PRO A 32 16.066 -3.825 3.294 1.00 0.00 N ATOM 453 CA PRO A 32 17.387 -3.480 3.826 1.00 0.00 C ATOM 454 C PRO A 32 18.015 -2.298 3.095 1.00 0.00 C ATOM 455 O PRO A 32 19.043 -1.769 3.519 1.00 0.00 O ATOM 456 CB PRO A 32 18.207 -4.751 3.591 1.00 0.00 C ATOM 457 CG PRO A 32 17.538 -5.427 2.444 1.00 0.00 C ATOM 458 CD PRO A 32 16.074 -5.110 2.574 1.00 0.00 C ATOM 0 HA PRO A 32 17.339 -3.175 4.871 1.00 0.00 H new ATOM 0 HB2 PRO A 32 19.246 -4.515 3.360 1.00 0.00 H new ATOM 0 HB3 PRO A 32 18.214 -5.387 4.476 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.933 -5.066 1.494 1.00 0.00 H new ATOM 0 HG3 PRO A 32 17.708 -6.503 2.472 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.593 -5.028 1.600 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.543 -5.884 3.128 1.00 0.00 H new ATOM 466 N VAL A 33 17.391 -1.888 1.996 1.00 0.00 N ATOM 467 CA VAL A 33 17.888 -0.767 1.207 1.00 0.00 C ATOM 468 C VAL A 33 16.890 0.385 1.199 1.00 0.00 C ATOM 469 O VAL A 33 15.750 0.228 0.762 1.00 0.00 O ATOM 470 CB VAL A 33 18.181 -1.189 -0.245 1.00 0.00 C ATOM 471 CG1 VAL A 33 18.667 0.001 -1.059 1.00 0.00 C ATOM 472 CG2 VAL A 33 19.200 -2.318 -0.276 1.00 0.00 C ATOM 0 H VAL A 33 16.540 -2.315 1.631 1.00 0.00 H new ATOM 0 HA VAL A 33 18.815 -0.437 1.675 1.00 0.00 H new ATOM 0 HB VAL A 33 17.256 -1.552 -0.693 1.00 0.00 H new ATOM 0 HG11 VAL A 33 18.869 -0.316 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 33 17.900 0.776 -1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 33 19.580 0.397 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 33 19.395 -2.604 -1.310 1.00 0.00 H new ATOM 0 HG22 VAL A 33 20.127 -1.984 0.190 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.809 -3.176 0.270 1.00 0.00 H new ATOM 482 N ARG A 34 17.326 1.543 1.683 1.00 0.00 N ATOM 483 CA ARG A 34 16.471 2.722 1.732 1.00 0.00 C ATOM 484 C ARG A 34 16.293 3.323 0.341 1.00 0.00 C ATOM 485 O ARG A 34 17.229 3.858 -0.254 1.00 0.00 O ATOM 486 CB ARG A 34 17.061 3.767 2.680 1.00 0.00 C ATOM 487 CG ARG A 34 16.210 5.020 2.811 1.00 0.00 C ATOM 488 CD ARG A 34 16.665 5.884 3.977 1.00 0.00 C ATOM 489 NE ARG A 34 16.325 7.291 3.782 1.00 0.00 N ATOM 490 CZ ARG A 34 16.483 8.222 4.716 1.00 0.00 C ATOM 491 NH1 ARG A 34 16.974 7.897 5.904 1.00 0.00 N ATOM 492 NH2 ARG A 34 16.149 9.481 4.463 1.00 0.00 N ATOM 0 H ARG A 34 18.267 1.690 2.047 1.00 0.00 H new ATOM 0 HA ARG A 34 15.493 2.416 2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 34 17.189 3.320 3.666 1.00 0.00 H new ATOM 0 HB3 ARG A 34 18.053 4.047 2.326 1.00 0.00 H new ATOM 0 HG2 ARG A 34 16.264 5.596 1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 34 15.166 4.739 2.951 1.00 0.00 H new ATOM 0 HD2 ARG A 34 16.204 5.524 4.897 1.00 0.00 H new ATOM 0 HD3 ARG A 34 17.743 5.786 4.102 1.00 0.00 H new ATOM 0 HE ARG A 34 15.945 7.574 2.879 1.00 0.00 H new ATOM 0 HH11 ARG A 34 17.231 6.930 6.102 1.00 0.00 H new ATOM 0 HH12 ARG A 34 17.094 8.614 6.620 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.770 9.735 3.550 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.271 10.195 5.181 1.00 0.00 H new ATOM 506 N PRO A 35 15.065 3.234 -0.190 1.00 0.00 N ATOM 507 CA PRO A 35 14.736 3.764 -1.517 1.00 0.00 C ATOM 508 C PRO A 35 14.747 5.288 -1.552 1.00 0.00 C ATOM 509 O PRO A 35 14.362 5.943 -0.584 1.00 0.00 O ATOM 510 CB PRO A 35 13.323 3.233 -1.771 1.00 0.00 C ATOM 511 CG PRO A 35 12.750 3.017 -0.412 1.00 0.00 C ATOM 512 CD PRO A 35 13.903 2.610 0.463 1.00 0.00 C ATOM 0 HA PRO A 35 15.463 3.458 -2.270 1.00 0.00 H new ATOM 0 HB2 PRO A 35 12.729 3.946 -2.343 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.345 2.306 -2.343 1.00 0.00 H new ATOM 0 HG2 PRO A 35 12.278 3.926 -0.038 1.00 0.00 H new ATOM 0 HG3 PRO A 35 11.982 2.244 -0.431 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.777 2.967 1.485 1.00 0.00 H new ATOM 0 HD3 PRO A 35 14.005 1.526 0.514 1.00 0.00 H new ATOM 520 N ALA A 36 15.191 5.847 -2.673 1.00 0.00 N ATOM 521 CA ALA A 36 15.249 7.294 -2.834 1.00 0.00 C ATOM 522 C ALA A 36 13.925 7.943 -2.447 1.00 0.00 C ATOM 523 O ALA A 36 13.899 9.041 -1.891 1.00 0.00 O ATOM 524 CB ALA A 36 15.615 7.651 -4.267 1.00 0.00 C ATOM 0 H ALA A 36 15.516 5.319 -3.483 1.00 0.00 H new ATOM 0 HA ALA A 36 16.020 7.678 -2.167 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.655 8.735 -4.373 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.589 7.227 -4.510 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.864 7.247 -4.946 1.00 0.00 H new ATOM 530 N GLY A 37 12.825 7.258 -2.745 1.00 0.00 N ATOM 531 CA GLY A 37 11.512 7.785 -2.422 1.00 0.00 C ATOM 532 C GLY A 37 10.424 6.735 -2.528 1.00 0.00 C ATOM 533 O GLY A 37 10.603 5.709 -3.186 1.00 0.00 O ATOM 0 H GLY A 37 12.820 6.347 -3.204 1.00 0.00 H new ATOM 0 HA2 GLY A 37 11.525 8.189 -1.410 1.00 0.00 H new ATOM 0 HA3 GLY A 37 11.281 8.612 -3.093 1.00 0.00 H new ATOM 537 N TYR A 38 9.294 6.989 -1.878 1.00 0.00 N ATOM 538 CA TYR A 38 8.174 6.055 -1.899 1.00 0.00 C ATOM 539 C TYR A 38 6.977 6.656 -2.630 1.00 0.00 C ATOM 540 O TYR A 38 6.678 7.842 -2.487 1.00 0.00 O ATOM 541 CB TYR A 38 7.775 5.673 -0.472 1.00 0.00 C ATOM 542 CG TYR A 38 8.538 4.487 0.073 1.00 0.00 C ATOM 543 CD1 TYR A 38 8.703 3.334 -0.684 1.00 0.00 C ATOM 544 CD2 TYR A 38 9.095 4.520 1.346 1.00 0.00 C ATOM 545 CE1 TYR A 38 9.399 2.248 -0.190 1.00 0.00 C ATOM 546 CE2 TYR A 38 9.794 3.440 1.848 1.00 0.00 C ATOM 547 CZ TYR A 38 9.942 2.306 1.077 1.00 0.00 C ATOM 548 OH TYR A 38 10.638 1.227 1.572 1.00 0.00 O ATOM 0 H TYR A 38 9.129 7.833 -1.330 1.00 0.00 H new ATOM 0 HA TYR A 38 8.491 5.159 -2.433 1.00 0.00 H new ATOM 0 HB2 TYR A 38 7.935 6.530 0.183 1.00 0.00 H new ATOM 0 HB3 TYR A 38 6.708 5.450 -0.449 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.280 3.286 -1.676 1.00 0.00 H new ATOM 0 HD2 TYR A 38 8.979 5.406 1.953 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.517 1.359 -0.792 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.222 3.483 2.839 1.00 0.00 H new ATOM 0 HH TYR A 38 10.956 1.430 2.476 1.00 0.00 H new ATOM 558 N LEU A 39 6.295 5.828 -3.414 1.00 0.00 N ATOM 559 CA LEU A 39 5.129 6.276 -4.168 1.00 0.00 C ATOM 560 C LEU A 39 3.904 5.432 -3.828 1.00 0.00 C ATOM 561 O LEU A 39 3.789 4.284 -4.259 1.00 0.00 O ATOM 562 CB LEU A 39 5.411 6.204 -5.670 1.00 0.00 C ATOM 563 CG LEU A 39 4.463 6.999 -6.569 1.00 0.00 C ATOM 564 CD1 LEU A 39 5.166 7.412 -7.852 1.00 0.00 C ATOM 565 CD2 LEU A 39 3.216 6.184 -6.881 1.00 0.00 C ATOM 0 H LEU A 39 6.529 4.844 -3.544 1.00 0.00 H new ATOM 0 HA LEU A 39 4.923 7.310 -3.892 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.427 6.556 -5.846 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.378 5.158 -5.976 1.00 0.00 H new ATOM 0 HG LEU A 39 4.160 7.901 -6.038 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.476 7.977 -8.479 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.028 8.033 -7.611 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.498 6.523 -8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.553 6.765 -7.522 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.501 5.264 -7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.700 5.938 -5.953 1.00 0.00 H new ATOM 577 N LEU A 40 2.991 6.010 -3.056 1.00 0.00 N ATOM 578 CA LEU A 40 1.772 5.313 -2.660 1.00 0.00 C ATOM 579 C LEU A 40 0.569 5.832 -3.442 1.00 0.00 C ATOM 580 O LEU A 40 0.118 6.957 -3.230 1.00 0.00 O ATOM 581 CB LEU A 40 1.530 5.480 -1.159 1.00 0.00 C ATOM 582 CG LEU A 40 0.263 4.827 -0.607 1.00 0.00 C ATOM 583 CD1 LEU A 40 0.460 3.327 -0.449 1.00 0.00 C ATOM 584 CD2 LEU A 40 -0.127 5.458 0.722 1.00 0.00 C ATOM 0 H LEU A 40 3.071 6.959 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 40 1.899 4.254 -2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.388 5.071 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.493 6.546 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.547 4.993 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.453 2.880 -0.055 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.691 2.886 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.283 3.139 0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.031 4.981 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 40 0.682 5.323 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.312 6.523 0.579 1.00 0.00 H new ATOM 596 N SER A 41 0.053 5.003 -4.344 1.00 0.00 N ATOM 597 CA SER A 41 -1.096 5.379 -5.158 1.00 0.00 C ATOM 598 C SER A 41 -2.320 4.546 -4.788 1.00 0.00 C ATOM 599 O SER A 41 -2.384 3.351 -5.081 1.00 0.00 O ATOM 600 CB SER A 41 -0.775 5.203 -6.644 1.00 0.00 C ATOM 601 OG SER A 41 -1.723 5.877 -7.454 1.00 0.00 O ATOM 0 H SER A 41 0.413 4.067 -4.529 1.00 0.00 H new ATOM 0 HA SER A 41 -1.320 6.428 -4.964 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.224 5.587 -6.851 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.767 4.142 -6.894 1.00 0.00 H new ATOM 0 HG SER A 41 -2.199 6.543 -6.915 1.00 0.00 H new ATOM 607 N PHE A 42 -3.289 5.184 -4.142 1.00 0.00 N ATOM 608 CA PHE A 42 -4.511 4.503 -3.730 1.00 0.00 C ATOM 609 C PHE A 42 -5.702 4.973 -4.561 1.00 0.00 C ATOM 610 O PHE A 42 -6.015 6.163 -4.600 1.00 0.00 O ATOM 611 CB PHE A 42 -4.782 4.750 -2.245 1.00 0.00 C ATOM 612 CG PHE A 42 -5.538 6.020 -1.976 1.00 0.00 C ATOM 613 CD1 PHE A 42 -6.916 6.063 -2.109 1.00 0.00 C ATOM 614 CD2 PHE A 42 -4.870 7.171 -1.591 1.00 0.00 C ATOM 615 CE1 PHE A 42 -7.615 7.230 -1.862 1.00 0.00 C ATOM 616 CE2 PHE A 42 -5.563 8.341 -1.343 1.00 0.00 C ATOM 617 CZ PHE A 42 -6.937 8.371 -1.480 1.00 0.00 C ATOM 0 H PHE A 42 -3.252 6.172 -3.892 1.00 0.00 H new ATOM 0 HA PHE A 42 -4.375 3.434 -3.894 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -5.346 3.909 -1.842 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.832 4.782 -1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.451 5.174 -2.409 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.796 7.154 -1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.690 7.249 -1.968 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.030 9.231 -1.042 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.480 9.285 -1.289 1.00 0.00 H new ATOM 627 N HIS A 43 -6.362 4.029 -5.224 1.00 0.00 N ATOM 628 CA HIS A 43 -7.519 4.345 -6.055 1.00 0.00 C ATOM 629 C HIS A 43 -8.655 3.359 -5.802 1.00 0.00 C ATOM 630 O HIS A 43 -8.431 2.245 -5.326 1.00 0.00 O ATOM 631 CB HIS A 43 -7.132 4.328 -7.533 1.00 0.00 C ATOM 632 CG HIS A 43 -7.182 2.964 -8.150 1.00 0.00 C ATOM 633 ND1 HIS A 43 -6.496 1.882 -7.640 1.00 0.00 N ATOM 634 CD2 HIS A 43 -7.843 2.508 -9.239 1.00 0.00 C ATOM 635 CE1 HIS A 43 -6.732 0.820 -8.390 1.00 0.00 C ATOM 636 NE2 HIS A 43 -7.547 1.174 -9.367 1.00 0.00 N ATOM 0 H HIS A 43 -6.116 3.039 -5.202 1.00 0.00 H new ATOM 0 HA HIS A 43 -7.864 5.344 -5.790 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -7.800 4.991 -8.083 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -6.125 4.730 -7.641 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -8.485 3.086 -9.887 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -6.327 -0.169 -8.231 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -7.899 0.556 -10.098 1.00 0.00 H new ATOM 645 N THR A 44 -9.876 3.774 -6.124 1.00 0.00 N ATOM 646 CA THR A 44 -11.047 2.928 -5.930 1.00 0.00 C ATOM 647 C THR A 44 -11.304 2.057 -7.154 1.00 0.00 C ATOM 648 O THR A 44 -10.936 2.399 -8.279 1.00 0.00 O ATOM 649 CB THR A 44 -12.305 3.768 -5.639 1.00 0.00 C ATOM 650 OG1 THR A 44 -12.968 4.099 -6.865 1.00 0.00 O ATOM 651 CG2 THR A 44 -11.943 5.043 -4.892 1.00 0.00 C ATOM 0 H THR A 44 -10.080 4.691 -6.521 1.00 0.00 H new ATOM 0 HA THR A 44 -10.838 2.291 -5.071 1.00 0.00 H new ATOM 0 HB THR A 44 -12.973 3.176 -5.014 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.767 4.632 -6.671 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.847 5.620 -4.698 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.465 4.787 -3.946 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.257 5.636 -5.496 1.00 0.00 H new ATOM 659 N PRO A 45 -11.951 0.903 -6.935 1.00 0.00 N ATOM 660 CA PRO A 45 -12.273 -0.041 -8.009 1.00 0.00 C ATOM 661 C PRO A 45 -13.347 0.495 -8.950 1.00 0.00 C ATOM 662 O PRO A 45 -13.781 -0.196 -9.870 1.00 0.00 O ATOM 663 CB PRO A 45 -12.787 -1.272 -7.258 1.00 0.00 C ATOM 664 CG PRO A 45 -13.299 -0.740 -5.964 1.00 0.00 C ATOM 665 CD PRO A 45 -12.419 0.431 -5.621 1.00 0.00 C ATOM 0 HA PRO A 45 -11.412 -0.242 -8.646 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -13.574 -1.777 -7.818 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -11.991 -2.000 -7.100 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.341 -0.432 -6.053 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.257 -1.501 -5.185 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.971 1.206 -5.089 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.588 0.135 -4.981 1.00 0.00 H new ATOM 704 N THR A 49 -8.002 7.896 -9.789 1.00 0.00 N ATOM 705 CA THR A 49 -6.876 7.502 -8.951 1.00 0.00 C ATOM 706 C THR A 49 -6.181 8.721 -8.355 1.00 0.00 C ATOM 707 O THR A 49 -6.272 9.824 -8.895 1.00 0.00 O ATOM 708 CB THR A 49 -5.847 6.677 -9.746 1.00 0.00 C ATOM 709 OG1 THR A 49 -6.385 5.385 -10.051 1.00 0.00 O ATOM 710 CG2 THR A 49 -4.555 6.519 -8.959 1.00 0.00 C ATOM 0 HA THR A 49 -7.280 6.888 -8.146 1.00 0.00 H new ATOM 0 HB THR A 49 -5.628 7.208 -10.672 1.00 0.00 H new ATOM 0 HG1 THR A 49 -5.725 4.867 -10.558 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.844 5.933 -9.541 1.00 0.00 H new ATOM 0 HG22 THR A 49 -4.132 7.502 -8.753 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.762 6.009 -8.018 1.00 0.00 H new ATOM 718 N GLN A 50 -5.487 8.515 -7.241 1.00 0.00 N ATOM 719 CA GLN A 50 -4.777 9.599 -6.572 1.00 0.00 C ATOM 720 C GLN A 50 -3.374 9.160 -6.165 1.00 0.00 C ATOM 721 O GLN A 50 -3.192 8.090 -5.586 1.00 0.00 O ATOM 722 CB GLN A 50 -5.556 10.064 -5.341 1.00 0.00 C ATOM 723 CG GLN A 50 -4.958 11.290 -4.669 1.00 0.00 C ATOM 724 CD GLN A 50 -5.993 12.115 -3.931 1.00 0.00 C ATOM 725 OE1 GLN A 50 -6.929 12.641 -4.534 1.00 0.00 O ATOM 726 NE2 GLN A 50 -5.831 12.232 -2.618 1.00 0.00 N ATOM 0 H GLN A 50 -5.401 7.608 -6.782 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.690 10.430 -7.272 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.583 10.285 -5.633 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.598 9.249 -4.619 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.184 10.975 -3.969 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.473 11.912 -5.422 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.041 11.779 -2.159 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.497 12.775 -2.068 1.00 0.00 H new ATOM 735 N GLU A 51 -2.386 9.995 -6.472 1.00 0.00 N ATOM 736 CA GLU A 51 -0.999 9.692 -6.139 1.00 0.00 C ATOM 737 C GLU A 51 -0.519 10.552 -4.974 1.00 0.00 C ATOM 738 O GLU A 51 -0.837 11.739 -4.893 1.00 0.00 O ATOM 739 CB GLU A 51 -0.099 9.914 -7.356 1.00 0.00 C ATOM 740 CG GLU A 51 -0.325 8.907 -8.472 1.00 0.00 C ATOM 741 CD GLU A 51 0.288 9.347 -9.787 1.00 0.00 C ATOM 742 OE1 GLU A 51 0.451 10.570 -9.986 1.00 0.00 O ATOM 743 OE2 GLU A 51 0.604 8.470 -10.618 1.00 0.00 O ATOM 0 H GLU A 51 -2.520 10.886 -6.950 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.944 8.645 -5.842 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.269 10.918 -7.744 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.943 9.866 -7.040 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.100 7.946 -8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.396 8.754 -8.607 1.00 0.00 H new ATOM 750 N ILE A 52 0.246 9.945 -4.074 1.00 0.00 N ATOM 751 CA ILE A 52 0.770 10.655 -2.913 1.00 0.00 C ATOM 752 C ILE A 52 2.275 10.449 -2.777 1.00 0.00 C ATOM 753 O ILE A 52 2.763 9.318 -2.804 1.00 0.00 O ATOM 754 CB ILE A 52 0.081 10.197 -1.615 1.00 0.00 C ATOM 755 CG1 ILE A 52 -1.437 10.355 -1.734 1.00 0.00 C ATOM 756 CG2 ILE A 52 0.609 10.989 -0.427 1.00 0.00 C ATOM 757 CD1 ILE A 52 -2.213 9.472 -0.783 1.00 0.00 C ATOM 0 H ILE A 52 0.517 8.963 -4.126 1.00 0.00 H new ATOM 0 HA ILE A 52 0.563 11.714 -3.070 1.00 0.00 H new ATOM 0 HB ILE A 52 0.307 9.143 -1.454 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.701 11.396 -1.548 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.739 10.127 -2.756 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.112 10.654 0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.683 10.831 -0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.410 12.050 -0.579 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.281 9.637 -0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.978 8.427 -0.983 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -1.940 9.715 0.244 1.00 0.00 H new ATOM 769 N LEU A 53 3.006 11.548 -2.627 1.00 0.00 N ATOM 770 CA LEU A 53 4.456 11.489 -2.483 1.00 0.00 C ATOM 771 C LEU A 53 4.852 11.309 -1.021 1.00 0.00 C ATOM 772 O LEU A 53 4.652 12.204 -0.198 1.00 0.00 O ATOM 773 CB LEU A 53 5.096 12.760 -3.044 1.00 0.00 C ATOM 774 CG LEU A 53 6.492 12.599 -3.648 1.00 0.00 C ATOM 775 CD1 LEU A 53 7.480 12.132 -2.590 1.00 0.00 C ATOM 776 CD2 LEU A 53 6.458 11.624 -4.816 1.00 0.00 C ATOM 0 H LEU A 53 2.618 12.491 -2.602 1.00 0.00 H new ATOM 0 HA LEU A 53 4.817 10.628 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.436 13.168 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.151 13.498 -2.244 1.00 0.00 H new ATOM 0 HG LEU A 53 6.821 13.569 -4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.468 12.023 -3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 53 7.525 12.866 -1.785 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.156 11.172 -2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.460 11.522 -5.234 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.109 10.652 -4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.781 11.999 -5.584 1.00 0.00 H new ATOM 788 N LEU A 54 5.415 10.148 -0.705 1.00 0.00 N ATOM 789 CA LEU A 54 5.841 9.851 0.659 1.00 0.00 C ATOM 790 C LEU A 54 7.229 10.422 0.932 1.00 0.00 C ATOM 791 O LEU A 54 8.045 10.596 0.026 1.00 0.00 O ATOM 792 CB LEU A 54 5.844 8.340 0.895 1.00 0.00 C ATOM 793 CG LEU A 54 4.483 7.646 0.815 1.00 0.00 C ATOM 794 CD1 LEU A 54 4.449 6.431 1.729 1.00 0.00 C ATOM 795 CD2 LEU A 54 3.367 8.617 1.172 1.00 0.00 C ATOM 0 H LEU A 54 5.587 9.397 -1.374 1.00 0.00 H new ATOM 0 HA LEU A 54 5.134 10.319 1.344 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.508 7.879 0.164 1.00 0.00 H new ATOM 0 HB3 LEU A 54 6.271 8.147 1.879 1.00 0.00 H new ATOM 0 HG LEU A 54 4.328 7.308 -0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.473 5.950 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.223 5.726 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 54 4.626 6.745 2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.406 8.106 1.110 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.517 8.986 2.187 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.378 9.456 0.476 1.00 0.00 H new ATOM 807 N PRO A 55 7.506 10.719 2.210 1.00 0.00 N ATOM 808 CA PRO A 55 8.796 11.272 2.633 1.00 0.00 C ATOM 809 C PRO A 55 9.927 10.255 2.522 1.00 0.00 C ATOM 810 O PRO A 55 11.095 10.588 2.718 1.00 0.00 O ATOM 811 CB PRO A 55 8.558 11.649 4.097 1.00 0.00 C ATOM 812 CG PRO A 55 7.457 10.751 4.545 1.00 0.00 C ATOM 813 CD PRO A 55 6.581 10.538 3.341 1.00 0.00 C ATOM 0 HA PRO A 55 9.105 12.110 2.008 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.457 11.502 4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.278 12.698 4.195 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.851 9.804 4.913 1.00 0.00 H new ATOM 0 HG3 PRO A 55 6.894 11.201 5.363 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.134 9.544 3.340 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.761 11.256 3.308 1.00 0.00 H new ATOM 821 N GLY A 56 9.572 9.014 2.205 1.00 0.00 N ATOM 822 CA GLY A 56 10.569 7.968 2.073 1.00 0.00 C ATOM 823 C GLY A 56 11.286 7.682 3.377 1.00 0.00 C ATOM 824 O GLY A 56 12.197 8.412 3.766 1.00 0.00 O ATOM 0 H GLY A 56 8.612 8.714 2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.089 7.056 1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 56 11.298 8.259 1.317 1.00 0.00 H new ATOM 828 N GLY A 57 10.872 6.617 4.058 1.00 0.00 N ATOM 829 CA GLY A 57 11.491 6.257 5.320 1.00 0.00 C ATOM 830 C GLY A 57 10.472 5.962 6.402 1.00 0.00 C ATOM 831 O GLY A 57 10.727 6.192 7.584 1.00 0.00 O ATOM 0 H GLY A 57 10.119 5.998 3.758 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.125 5.382 5.174 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.140 7.069 5.648 1.00 0.00 H new ATOM 835 N ILE A 58 9.313 5.452 5.998 1.00 0.00 N ATOM 836 CA ILE A 58 8.252 5.126 6.942 1.00 0.00 C ATOM 837 C ILE A 58 7.842 3.662 6.824 1.00 0.00 C ATOM 838 O ILE A 58 8.047 3.029 5.788 1.00 0.00 O ATOM 839 CB ILE A 58 7.012 6.013 6.724 1.00 0.00 C ATOM 840 CG1 ILE A 58 6.138 5.440 5.605 1.00 0.00 C ATOM 841 CG2 ILE A 58 7.431 7.439 6.398 1.00 0.00 C ATOM 842 CD1 ILE A 58 4.976 6.333 5.230 1.00 0.00 C ATOM 0 H ILE A 58 9.085 5.256 5.023 1.00 0.00 H new ATOM 0 HA ILE A 58 8.650 5.311 7.940 1.00 0.00 H new ATOM 0 HB ILE A 58 6.428 6.028 7.644 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.756 5.271 4.723 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.754 4.469 5.916 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.543 8.053 6.247 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.016 7.844 7.224 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.034 7.443 5.490 1.00 0.00 H new ATOM 0 HD11 ILE A 58 4.400 5.865 4.432 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.336 6.482 6.100 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.353 7.297 4.888 1.00 0.00 H new ATOM 854 N THR A 59 7.260 3.128 7.894 1.00 0.00 N ATOM 855 CA THR A 59 6.820 1.739 7.911 1.00 0.00 C ATOM 856 C THR A 59 5.299 1.643 7.906 1.00 0.00 C ATOM 857 O THR A 59 4.736 0.548 7.891 1.00 0.00 O ATOM 858 CB THR A 59 7.366 0.992 9.143 1.00 0.00 C ATOM 859 OG1 THR A 59 7.130 1.762 10.327 1.00 0.00 O ATOM 860 CG2 THR A 59 8.856 0.722 8.996 1.00 0.00 C ATOM 0 H THR A 59 7.083 3.637 8.760 1.00 0.00 H new ATOM 0 HA THR A 59 7.213 1.272 7.008 1.00 0.00 H new ATOM 0 HB THR A 59 6.846 0.037 9.221 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.478 1.280 11.106 1.00 0.00 H new ATOM 0 HG21 THR A 59 9.219 0.194 9.878 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.029 0.111 8.110 1.00 0.00 H new ATOM 0 HG23 THR A 59 9.389 1.667 8.895 1.00 0.00 H new ATOM 868 N SER A 60 4.638 2.796 7.918 1.00 0.00 N ATOM 869 CA SER A 60 3.180 2.842 7.918 1.00 0.00 C ATOM 870 C SER A 60 2.681 4.233 7.537 1.00 0.00 C ATOM 871 O SER A 60 3.237 5.244 7.967 1.00 0.00 O ATOM 872 CB SER A 60 2.637 2.452 9.294 1.00 0.00 C ATOM 873 OG SER A 60 3.095 3.343 10.295 1.00 0.00 O ATOM 0 H SER A 60 5.089 3.711 7.928 1.00 0.00 H new ATOM 0 HA SER A 60 2.818 2.129 7.177 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.547 2.454 9.272 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.949 1.436 9.537 1.00 0.00 H new ATOM 0 HG SER A 60 2.732 3.073 11.164 1.00 0.00 H new ATOM 879 N HIS A 61 1.627 4.275 6.727 1.00 0.00 N ATOM 880 CA HIS A 61 1.051 5.541 6.288 1.00 0.00 C ATOM 881 C HIS A 61 -0.450 5.577 6.558 1.00 0.00 C ATOM 882 O HIS A 61 -1.197 4.728 6.074 1.00 0.00 O ATOM 883 CB HIS A 61 1.318 5.757 4.798 1.00 0.00 C ATOM 884 CG HIS A 61 1.438 7.200 4.415 1.00 0.00 C ATOM 885 ND1 HIS A 61 2.044 8.235 5.042 1.00 0.00 N flip ATOM 886 CD2 HIS A 61 0.893 7.719 3.260 1.00 0.00 C flip ATOM 887 CE1 HIS A 61 1.858 9.350 4.262 1.00 0.00 C flip ATOM 888 NE2 HIS A 61 1.161 9.011 3.192 1.00 0.00 N flip ATOM 0 H HIS A 61 1.155 3.448 6.362 1.00 0.00 H new ATOM 0 HA HIS A 61 1.524 6.343 6.854 1.00 0.00 H new ATOM 0 HB2 HIS A 61 2.237 5.239 4.523 1.00 0.00 H new ATOM 0 HB3 HIS A 61 0.511 5.303 4.223 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.334 7.157 2.526 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.222 10.342 4.487 1.00 0.00 H new ATOM 0 HE2 HIS A 61 0.878 9.640 2.441 1.00 0.00 H new ATOM 897 N GLN A 62 -0.883 6.565 7.335 1.00 0.00 N ATOM 898 CA GLN A 62 -2.295 6.710 7.670 1.00 0.00 C ATOM 899 C GLN A 62 -3.051 7.415 6.549 1.00 0.00 C ATOM 900 O GLN A 62 -2.788 8.579 6.245 1.00 0.00 O ATOM 901 CB GLN A 62 -2.453 7.490 8.976 1.00 0.00 C ATOM 902 CG GLN A 62 -3.898 7.648 9.420 1.00 0.00 C ATOM 903 CD GLN A 62 -4.423 6.425 10.146 1.00 0.00 C ATOM 904 OE1 GLN A 62 -5.127 5.563 9.422 1.00 0.00 O flip ATOM 905 NE2 GLN A 62 -4.198 6.257 11.345 1.00 0.00 N flip ATOM 0 H GLN A 62 -0.277 7.276 7.744 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.717 5.713 7.797 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.894 6.983 9.762 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.009 8.478 8.855 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.980 8.517 10.073 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.522 7.844 8.548 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.652 6.946 11.863 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.558 5.429 11.820 1.00 0.00 H new ATOM 914 N LEU A 63 -3.990 6.702 5.936 1.00 0.00 N ATOM 915 CA LEU A 63 -4.785 7.259 4.848 1.00 0.00 C ATOM 916 C LEU A 63 -6.063 7.900 5.379 1.00 0.00 C ATOM 917 O LEU A 63 -6.767 7.316 6.204 1.00 0.00 O ATOM 918 CB LEU A 63 -5.132 6.168 3.833 1.00 0.00 C ATOM 919 CG LEU A 63 -3.993 5.715 2.919 1.00 0.00 C ATOM 920 CD1 LEU A 63 -4.416 4.507 2.098 1.00 0.00 C ATOM 921 CD2 LEU A 63 -3.553 6.853 2.010 1.00 0.00 C ATOM 0 H LEU A 63 -4.219 5.737 6.174 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.192 8.030 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.503 5.299 4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.951 6.527 3.209 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.146 5.427 3.542 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.593 4.199 1.454 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.680 3.687 2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.279 4.768 1.485 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.742 6.512 1.367 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.394 7.173 1.395 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.208 7.690 2.616 1.00 0.00 H new ATOM 933 N LEU A 64 -6.359 9.103 4.899 1.00 0.00 N ATOM 934 CA LEU A 64 -7.555 9.823 5.324 1.00 0.00 C ATOM 935 C LEU A 64 -8.502 10.045 4.150 1.00 0.00 C ATOM 936 O LEU A 64 -8.085 10.042 2.993 1.00 0.00 O ATOM 937 CB LEU A 64 -7.170 11.167 5.946 1.00 0.00 C ATOM 938 CG LEU A 64 -6.563 11.109 7.348 1.00 0.00 C ATOM 939 CD1 LEU A 64 -5.165 10.511 7.299 1.00 0.00 C ATOM 940 CD2 LEU A 64 -6.530 12.496 7.972 1.00 0.00 C ATOM 0 H LEU A 64 -5.788 9.600 4.216 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.068 9.218 6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.458 11.660 5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.060 11.796 5.983 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.189 10.468 7.969 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.748 10.477 8.306 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.215 9.501 6.893 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.528 11.126 6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.095 12.436 8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -5.927 13.159 7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.545 12.888 8.042 1.00 0.00 H new ATOM 952 N GLY A 65 -9.782 10.240 4.457 1.00 0.00 N ATOM 953 CA GLY A 65 -10.769 10.463 3.417 1.00 0.00 C ATOM 954 C GLY A 65 -11.116 9.194 2.666 1.00 0.00 C ATOM 955 O GLY A 65 -10.793 9.053 1.485 1.00 0.00 O ATOM 0 H GLY A 65 -10.152 10.247 5.407 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.674 10.877 3.862 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.391 11.205 2.714 1.00 0.00 H new ATOM 959 N LEU A 66 -11.776 8.265 3.350 1.00 0.00 N ATOM 960 CA LEU A 66 -12.167 6.999 2.740 1.00 0.00 C ATOM 961 C LEU A 66 -13.682 6.827 2.765 1.00 0.00 C ATOM 962 O LEU A 66 -14.404 7.667 3.304 1.00 0.00 O ATOM 963 CB LEU A 66 -11.498 5.832 3.468 1.00 0.00 C ATOM 964 CG LEU A 66 -9.979 5.917 3.620 1.00 0.00 C ATOM 965 CD1 LEU A 66 -9.452 4.723 4.400 1.00 0.00 C ATOM 966 CD2 LEU A 66 -9.311 6.001 2.255 1.00 0.00 C ATOM 0 H LEU A 66 -12.051 8.365 4.327 1.00 0.00 H new ATOM 0 HA LEU A 66 -11.838 7.008 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.938 5.750 4.462 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.739 4.912 2.935 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.739 6.823 4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.369 4.801 4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.906 4.707 5.391 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -9.703 3.803 3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.230 6.061 2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.559 5.113 1.673 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.664 6.889 1.731 1.00 0.00 H new ATOM 978 N PHE A 67 -14.158 5.733 2.180 1.00 0.00 N ATOM 979 CA PHE A 67 -15.588 5.451 2.136 1.00 0.00 C ATOM 980 C PHE A 67 -15.924 4.215 2.965 1.00 0.00 C ATOM 981 O PHE A 67 -15.104 3.314 3.144 1.00 0.00 O ATOM 982 CB PHE A 67 -16.045 5.248 0.690 1.00 0.00 C ATOM 983 CG PHE A 67 -15.914 6.480 -0.159 1.00 0.00 C ATOM 984 CD1 PHE A 67 -16.286 7.720 0.335 1.00 0.00 C ATOM 985 CD2 PHE A 67 -15.418 6.399 -1.450 1.00 0.00 C ATOM 986 CE1 PHE A 67 -16.166 8.856 -0.444 1.00 0.00 C ATOM 987 CE2 PHE A 67 -15.296 7.531 -2.233 1.00 0.00 C ATOM 988 CZ PHE A 67 -15.670 8.761 -1.729 1.00 0.00 C ATOM 0 H PHE A 67 -13.575 5.027 1.730 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.115 6.306 2.560 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.461 4.444 0.242 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -17.086 4.924 0.688 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -16.674 7.800 1.340 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -15.123 5.440 -1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -16.460 9.817 -0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -14.909 7.454 -3.238 1.00 0.00 H new ATOM 0 HZ PHE A 67 -15.575 9.647 -2.339 1.00 0.00 H new ATOM 998 N PRO A 68 -17.160 4.169 3.485 1.00 0.00 N ATOM 999 CA PRO A 68 -17.633 3.049 4.304 1.00 0.00 C ATOM 1000 C PRO A 68 -17.823 1.775 3.489 1.00 0.00 C ATOM 1001 O PRO A 68 -18.488 1.782 2.453 1.00 0.00 O ATOM 1002 CB PRO A 68 -18.978 3.546 4.841 1.00 0.00 C ATOM 1003 CG PRO A 68 -19.436 4.553 3.842 1.00 0.00 C ATOM 1004 CD PRO A 68 -18.190 5.207 3.313 1.00 0.00 C ATOM 0 HA PRO A 68 -16.919 2.784 5.084 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -19.693 2.729 4.936 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -18.869 3.991 5.830 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -19.999 4.078 3.038 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -20.097 5.287 4.303 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -18.300 5.494 2.267 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -17.945 6.112 3.868 1.00 0.00 H new ATOM 1012 N SER A 69 -17.236 0.681 3.964 1.00 0.00 N ATOM 1013 CA SER A 69 -17.338 -0.601 3.277 1.00 0.00 C ATOM 1014 C SER A 69 -16.923 -0.468 1.815 1.00 0.00 C ATOM 1015 O SER A 69 -17.504 -1.101 0.932 1.00 0.00 O ATOM 1016 CB SER A 69 -18.767 -1.140 3.367 1.00 0.00 C ATOM 1017 OG SER A 69 -18.833 -2.486 2.930 1.00 0.00 O ATOM 0 H SER A 69 -16.685 0.657 4.822 1.00 0.00 H new ATOM 0 HA SER A 69 -16.662 -1.302 3.766 1.00 0.00 H new ATOM 0 HB2 SER A 69 -19.121 -1.071 4.396 1.00 0.00 H new ATOM 0 HB3 SER A 69 -19.430 -0.524 2.759 1.00 0.00 H new ATOM 0 HG SER A 69 -18.429 -2.561 2.040 1.00 0.00 H new ATOM 1023 N THR A 70 -15.914 0.359 1.565 1.00 0.00 N ATOM 1024 CA THR A 70 -15.421 0.577 0.211 1.00 0.00 C ATOM 1025 C THR A 70 -14.015 0.013 0.040 1.00 0.00 C ATOM 1026 O THR A 70 -13.071 0.468 0.686 1.00 0.00 O ATOM 1027 CB THR A 70 -15.408 2.075 -0.148 1.00 0.00 C ATOM 1028 OG1 THR A 70 -16.745 2.588 -0.158 1.00 0.00 O ATOM 1029 CG2 THR A 70 -14.763 2.301 -1.507 1.00 0.00 C ATOM 0 H THR A 70 -15.421 0.890 2.283 1.00 0.00 H new ATOM 0 HA THR A 70 -16.103 0.056 -0.461 1.00 0.00 H new ATOM 0 HB THR A 70 -14.823 2.601 0.606 1.00 0.00 H new ATOM 0 HG1 THR A 70 -17.184 2.373 0.691 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.766 3.366 -1.738 1.00 0.00 H new ATOM 0 HG22 THR A 70 -13.736 1.936 -1.487 1.00 0.00 H new ATOM 0 HG23 THR A 70 -15.325 1.763 -2.270 1.00 0.00 H new ATOM 1037 N SER A 71 -13.883 -0.979 -0.835 1.00 0.00 N ATOM 1038 CA SER A 71 -12.592 -1.607 -1.089 1.00 0.00 C ATOM 1039 C SER A 71 -11.638 -0.632 -1.772 1.00 0.00 C ATOM 1040 O SER A 71 -12.031 0.110 -2.672 1.00 0.00 O ATOM 1041 CB SER A 71 -12.770 -2.855 -1.955 1.00 0.00 C ATOM 1042 OG SER A 71 -11.536 -3.525 -2.145 1.00 0.00 O ATOM 0 H SER A 71 -14.654 -1.365 -1.380 1.00 0.00 H new ATOM 0 HA SER A 71 -12.162 -1.897 -0.130 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.485 -3.530 -1.483 1.00 0.00 H new ATOM 0 HB3 SER A 71 -13.187 -2.574 -2.922 1.00 0.00 H new ATOM 0 HG SER A 71 -11.678 -4.320 -2.700 1.00 0.00 H new ATOM 1048 N TYR A 72 -10.383 -0.640 -1.336 1.00 0.00 N ATOM 1049 CA TYR A 72 -9.372 0.245 -1.903 1.00 0.00 C ATOM 1050 C TYR A 72 -8.123 -0.537 -2.298 1.00 0.00 C ATOM 1051 O TYR A 72 -7.747 -1.503 -1.636 1.00 0.00 O ATOM 1052 CB TYR A 72 -9.005 1.342 -0.902 1.00 0.00 C ATOM 1053 CG TYR A 72 -9.960 2.514 -0.911 1.00 0.00 C ATOM 1054 CD1 TYR A 72 -9.751 3.600 -1.752 1.00 0.00 C ATOM 1055 CD2 TYR A 72 -11.073 2.536 -0.078 1.00 0.00 C ATOM 1056 CE1 TYR A 72 -10.621 4.673 -1.763 1.00 0.00 C ATOM 1057 CE2 TYR A 72 -11.948 3.604 -0.084 1.00 0.00 C ATOM 1058 CZ TYR A 72 -11.718 4.671 -0.927 1.00 0.00 C ATOM 1059 OH TYR A 72 -12.587 5.737 -0.936 1.00 0.00 O ATOM 0 H TYR A 72 -10.042 -1.249 -0.592 1.00 0.00 H new ATOM 0 HA TYR A 72 -9.789 0.705 -2.799 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.978 0.914 0.100 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -8.000 1.701 -1.122 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.893 3.605 -2.409 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -11.256 1.703 0.585 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.443 5.509 -2.423 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -12.809 3.604 0.568 1.00 0.00 H new ATOM 0 HH TYR A 72 -13.478 5.430 -1.205 1.00 0.00 H new ATOM 1069 N ASN A 73 -7.484 -0.110 -3.382 1.00 0.00 N ATOM 1070 CA ASN A 73 -6.277 -0.769 -3.867 1.00 0.00 C ATOM 1071 C ASN A 73 -5.063 0.143 -3.719 1.00 0.00 C ATOM 1072 O ASN A 73 -4.933 1.141 -4.427 1.00 0.00 O ATOM 1073 CB ASN A 73 -6.447 -1.177 -5.332 1.00 0.00 C ATOM 1074 CG ASN A 73 -7.051 -2.559 -5.481 1.00 0.00 C ATOM 1075 OD1 ASN A 73 -8.233 -2.765 -5.205 1.00 0.00 O ATOM 1076 ND2 ASN A 73 -6.241 -3.515 -5.920 1.00 0.00 N ATOM 0 H ASN A 73 -7.782 0.689 -3.941 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.114 -1.663 -3.265 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -7.082 -0.450 -5.837 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.477 -1.152 -5.828 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -6.592 -4.465 -6.041 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -5.268 -3.299 -6.137 1.00 0.00 H new ATOM 1083 N ALA A 74 -4.175 -0.209 -2.795 1.00 0.00 N ATOM 1084 CA ALA A 74 -2.970 0.576 -2.555 1.00 0.00 C ATOM 1085 C ALA A 74 -1.780 -0.001 -3.315 1.00 0.00 C ATOM 1086 O ALA A 74 -1.616 -1.218 -3.400 1.00 0.00 O ATOM 1087 CB ALA A 74 -2.668 0.637 -1.065 1.00 0.00 C ATOM 0 H ALA A 74 -4.267 -1.033 -2.200 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.146 1.588 -2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.766 1.226 -0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.505 1.101 -0.543 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.517 -0.373 -0.683 1.00 0.00 H new ATOM 1093 N ARG A 75 -0.952 0.881 -3.865 1.00 0.00 N ATOM 1094 CA ARG A 75 0.222 0.459 -4.619 1.00 0.00 C ATOM 1095 C ARG A 75 1.479 1.152 -4.101 1.00 0.00 C ATOM 1096 O ARG A 75 1.603 2.375 -4.176 1.00 0.00 O ATOM 1097 CB ARG A 75 0.036 0.764 -6.107 1.00 0.00 C ATOM 1098 CG ARG A 75 1.118 0.166 -6.991 1.00 0.00 C ATOM 1099 CD ARG A 75 1.302 0.972 -8.268 1.00 0.00 C ATOM 1100 NE ARG A 75 0.149 0.859 -9.157 1.00 0.00 N ATOM 1101 CZ ARG A 75 -0.185 -0.261 -9.790 1.00 0.00 C ATOM 1102 NH1 ARG A 75 0.544 -1.357 -9.632 1.00 0.00 N ATOM 1103 NH2 ARG A 75 -1.249 -0.285 -10.582 1.00 0.00 N ATOM 0 H ARG A 75 -1.072 1.892 -3.803 1.00 0.00 H new ATOM 0 HA ARG A 75 0.340 -0.617 -4.487 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.934 0.385 -6.428 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.019 1.845 -6.248 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.059 0.131 -6.443 1.00 0.00 H new ATOM 0 HG3 ARG A 75 0.857 -0.862 -7.243 1.00 0.00 H new ATOM 0 HD2 ARG A 75 1.464 2.020 -8.015 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.196 0.628 -8.788 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.432 1.685 -9.300 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.363 -1.342 -9.024 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.286 -2.216 -10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.812 0.557 -10.706 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.504 -1.145 -11.067 1.00 0.00 H new ATOM 1117 N LEU A 76 2.409 0.363 -3.575 1.00 0.00 N ATOM 1118 CA LEU A 76 3.657 0.900 -3.043 1.00 0.00 C ATOM 1119 C LEU A 76 4.801 0.701 -4.032 1.00 0.00 C ATOM 1120 O LEU A 76 5.257 -0.421 -4.250 1.00 0.00 O ATOM 1121 CB LEU A 76 3.997 0.229 -1.711 1.00 0.00 C ATOM 1122 CG LEU A 76 5.202 0.799 -0.961 1.00 0.00 C ATOM 1123 CD1 LEU A 76 4.967 2.258 -0.604 1.00 0.00 C ATOM 1124 CD2 LEU A 76 5.487 -0.019 0.290 1.00 0.00 C ATOM 0 H LEU A 76 2.323 -0.651 -3.505 1.00 0.00 H new ATOM 0 HA LEU A 76 3.524 1.970 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.125 0.295 -1.061 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.177 -0.830 -1.896 1.00 0.00 H new ATOM 0 HG LEU A 76 6.073 0.742 -1.614 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.835 2.646 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.813 2.835 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.085 2.340 0.031 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.347 0.401 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.617 0.006 0.947 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.701 -1.050 0.009 1.00 0.00 H new ATOM 1136 N GLN A 77 5.260 1.797 -4.626 1.00 0.00 N ATOM 1137 CA GLN A 77 6.352 1.743 -5.591 1.00 0.00 C ATOM 1138 C GLN A 77 7.475 2.696 -5.197 1.00 0.00 C ATOM 1139 O GLN A 77 7.331 3.914 -5.292 1.00 0.00 O ATOM 1140 CB GLN A 77 5.841 2.089 -6.991 1.00 0.00 C ATOM 1141 CG GLN A 77 6.724 1.558 -8.109 1.00 0.00 C ATOM 1142 CD GLN A 77 6.688 2.433 -9.346 1.00 0.00 C ATOM 1143 OE1 GLN A 77 6.391 3.626 -9.269 1.00 0.00 O ATOM 1144 NE2 GLN A 77 6.993 1.845 -10.497 1.00 0.00 N ATOM 0 H GLN A 77 4.893 2.733 -4.456 1.00 0.00 H new ATOM 0 HA GLN A 77 6.748 0.727 -5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.835 1.687 -7.111 1.00 0.00 H new ATOM 0 HB3 GLN A 77 5.764 3.172 -7.083 1.00 0.00 H new ATOM 0 HG2 GLN A 77 7.751 1.483 -7.751 1.00 0.00 H new ATOM 0 HG3 GLN A 77 6.404 0.550 -8.372 1.00 0.00 H new ATOM 0 HE21 GLN A 77 7.233 0.854 -10.515 1.00 0.00 H new ATOM 0 HE22 GLN A 77 6.987 2.385 -11.363 1.00 0.00 H new ATOM 1153 N ALA A 78 8.594 2.132 -4.753 1.00 0.00 N ATOM 1154 CA ALA A 78 9.743 2.932 -4.346 1.00 0.00 C ATOM 1155 C ALA A 78 10.639 3.251 -5.537 1.00 0.00 C ATOM 1156 O ALA A 78 10.864 2.405 -6.402 1.00 0.00 O ATOM 1157 CB ALA A 78 10.534 2.207 -3.267 1.00 0.00 C ATOM 0 H ALA A 78 8.729 1.125 -4.666 1.00 0.00 H new ATOM 0 HA ALA A 78 9.374 3.874 -3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.389 2.815 -2.972 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.895 2.035 -2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.885 1.251 -3.654 1.00 0.00 H new ATOM 1163 N MET A 79 11.149 4.478 -5.576 1.00 0.00 N ATOM 1164 CA MET A 79 12.022 4.909 -6.662 1.00 0.00 C ATOM 1165 C MET A 79 13.467 4.505 -6.390 1.00 0.00 C ATOM 1166 O MET A 79 14.048 4.890 -5.375 1.00 0.00 O ATOM 1167 CB MET A 79 11.929 6.424 -6.849 1.00 0.00 C ATOM 1168 CG MET A 79 10.502 6.941 -6.930 1.00 0.00 C ATOM 1169 SD MET A 79 10.408 8.627 -7.561 1.00 0.00 S ATOM 1170 CE MET A 79 9.992 9.525 -6.068 1.00 0.00 C ATOM 0 H MET A 79 10.973 5.191 -4.868 1.00 0.00 H new ATOM 0 HA MET A 79 11.692 4.417 -7.577 1.00 0.00 H new ATOM 0 HB2 MET A 79 12.438 6.916 -6.020 1.00 0.00 H new ATOM 0 HB3 MET A 79 12.460 6.702 -7.759 1.00 0.00 H new ATOM 0 HG2 MET A 79 9.918 6.283 -7.574 1.00 0.00 H new ATOM 0 HG3 MET A 79 10.049 6.902 -5.939 1.00 0.00 H new ATOM 0 HE1 MET A 79 9.899 10.587 -6.296 1.00 0.00 H new ATOM 0 HE2 MET A 79 9.046 9.155 -5.672 1.00 0.00 H new ATOM 0 HE3 MET A 79 10.777 9.381 -5.326 1.00 0.00 H new ATOM 1180 N TRP A 80 14.042 3.730 -7.302 1.00 0.00 N ATOM 1181 CA TRP A 80 15.420 3.275 -7.159 1.00 0.00 C ATOM 1182 C TRP A 80 16.277 3.758 -8.324 1.00 0.00 C ATOM 1183 O TRP A 80 15.765 4.048 -9.405 1.00 0.00 O ATOM 1184 CB TRP A 80 15.469 1.748 -7.074 1.00 0.00 C ATOM 1185 CG TRP A 80 15.255 1.224 -5.686 1.00 0.00 C ATOM 1186 CD1 TRP A 80 16.192 1.111 -4.699 1.00 0.00 C ATOM 1187 CD2 TRP A 80 14.026 0.741 -5.132 1.00 0.00 C ATOM 1188 NE1 TRP A 80 15.620 0.586 -3.565 1.00 0.00 N ATOM 1189 CE2 TRP A 80 14.292 0.351 -3.805 1.00 0.00 C ATOM 1190 CE3 TRP A 80 12.727 0.602 -5.628 1.00 0.00 C ATOM 1191 CZ2 TRP A 80 13.306 -0.169 -2.971 1.00 0.00 C ATOM 1192 CZ3 TRP A 80 11.749 0.085 -4.799 1.00 0.00 C ATOM 1193 CH2 TRP A 80 12.043 -0.294 -3.482 1.00 0.00 C ATOM 0 H TRP A 80 13.576 3.403 -8.148 1.00 0.00 H new ATOM 0 HA TRP A 80 15.821 3.697 -6.237 1.00 0.00 H new ATOM 0 HB2 TRP A 80 14.709 1.330 -7.734 1.00 0.00 H new ATOM 0 HB3 TRP A 80 16.435 1.401 -7.441 1.00 0.00 H new ATOM 0 HD1 TRP A 80 17.230 1.393 -4.795 1.00 0.00 H new ATOM 0 HE1 TRP A 80 16.106 0.401 -2.687 1.00 0.00 H new ATOM 0 HE3 TRP A 80 12.491 0.893 -6.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 13.530 -0.463 -1.956 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 10.742 -0.029 -5.172 1.00 0.00 H new ATOM 0 HH2 TRP A 80 11.257 -0.693 -2.858 1.00 0.00 H new ATOM 1204 N GLY A 81 17.584 3.843 -8.097 1.00 0.00 N ATOM 1205 CA GLY A 81 18.490 4.292 -9.138 1.00 0.00 C ATOM 1206 C GLY A 81 18.131 3.734 -10.500 1.00 0.00 C ATOM 1207 O GLY A 81 18.198 2.525 -10.719 1.00 0.00 O ATOM 0 H GLY A 81 18.032 3.609 -7.211 1.00 0.00 H new ATOM 0 HA2 GLY A 81 18.478 5.381 -9.181 1.00 0.00 H new ATOM 0 HA3 GLY A 81 19.507 3.994 -8.883 1.00 0.00 H new ATOM 1211 N GLN A 82 17.747 4.616 -11.417 1.00 0.00 N ATOM 1212 CA GLN A 82 17.373 4.202 -12.765 1.00 0.00 C ATOM 1213 C GLN A 82 16.654 2.858 -12.742 1.00 0.00 C ATOM 1214 O GLN A 82 16.861 2.017 -13.617 1.00 0.00 O ATOM 1215 CB GLN A 82 18.612 4.117 -13.657 1.00 0.00 C ATOM 1216 CG GLN A 82 19.335 5.443 -13.823 1.00 0.00 C ATOM 1217 CD GLN A 82 20.579 5.327 -14.682 1.00 0.00 C ATOM 1218 OE1 GLN A 82 20.864 4.267 -15.241 1.00 0.00 O ATOM 1219 NE2 GLN A 82 21.326 6.418 -14.793 1.00 0.00 N ATOM 0 H GLN A 82 17.687 5.621 -11.252 1.00 0.00 H new ATOM 0 HA GLN A 82 16.692 4.950 -13.172 1.00 0.00 H new ATOM 0 HB2 GLN A 82 19.303 3.386 -13.236 1.00 0.00 H new ATOM 0 HB3 GLN A 82 18.317 3.748 -14.639 1.00 0.00 H new ATOM 0 HG2 GLN A 82 18.656 6.169 -14.270 1.00 0.00 H new ATOM 0 HG3 GLN A 82 19.611 5.827 -12.841 1.00 0.00 H new ATOM 0 HE21 GLN A 82 21.052 7.275 -14.312 1.00 0.00 H new ATOM 0 HE22 GLN A 82 22.174 6.400 -15.359 1.00 0.00 H new ATOM 1228 N SER A 83 15.809 2.661 -11.735 1.00 0.00 N ATOM 1229 CA SER A 83 15.063 1.416 -11.595 1.00 0.00 C ATOM 1230 C SER A 83 13.786 1.635 -10.789 1.00 0.00 C ATOM 1231 O SER A 83 13.746 2.467 -9.881 1.00 0.00 O ATOM 1232 CB SER A 83 15.929 0.350 -10.921 1.00 0.00 C ATOM 1233 OG SER A 83 16.982 -0.065 -11.773 1.00 0.00 O ATOM 0 H SER A 83 15.624 3.348 -11.004 1.00 0.00 H new ATOM 0 HA SER A 83 14.788 1.073 -12.592 1.00 0.00 H new ATOM 0 HB2 SER A 83 16.342 0.746 -9.993 1.00 0.00 H new ATOM 0 HB3 SER A 83 15.313 -0.509 -10.655 1.00 0.00 H new ATOM 0 HG SER A 83 16.989 0.492 -12.579 1.00 0.00 H new ATOM 1239 N LEU A 84 12.744 0.883 -11.127 1.00 0.00 N ATOM 1240 CA LEU A 84 11.465 0.994 -10.435 1.00 0.00 C ATOM 1241 C LEU A 84 10.972 -0.375 -9.979 1.00 0.00 C ATOM 1242 O LEU A 84 10.042 -0.937 -10.560 1.00 0.00 O ATOM 1243 CB LEU A 84 10.424 1.646 -11.348 1.00 0.00 C ATOM 1244 CG LEU A 84 10.721 3.080 -11.788 1.00 0.00 C ATOM 1245 CD1 LEU A 84 9.789 3.496 -12.914 1.00 0.00 C ATOM 1246 CD2 LEU A 84 10.598 4.035 -10.610 1.00 0.00 C ATOM 0 H LEU A 84 12.760 0.190 -11.876 1.00 0.00 H new ATOM 0 HA LEU A 84 11.609 1.619 -9.554 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.315 1.029 -12.240 1.00 0.00 H new ATOM 0 HB3 LEU A 84 9.463 1.637 -10.834 1.00 0.00 H new ATOM 0 HG LEU A 84 11.745 3.122 -12.158 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.015 4.519 -13.214 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.927 2.829 -13.765 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.756 3.438 -12.571 1.00 0.00 H new ATOM 0 HD21 LEU A 84 10.813 5.051 -10.941 1.00 0.00 H new ATOM 0 HD22 LEU A 84 9.585 3.990 -10.210 1.00 0.00 H new ATOM 0 HD23 LEU A 84 11.308 3.749 -9.834 1.00 0.00 H new ATOM 1258 N LEU A 85 11.599 -0.907 -8.936 1.00 0.00 N ATOM 1259 CA LEU A 85 11.223 -2.210 -8.400 1.00 0.00 C ATOM 1260 C LEU A 85 9.713 -2.416 -8.477 1.00 0.00 C ATOM 1261 O LEU A 85 8.931 -1.465 -8.461 1.00 0.00 O ATOM 1262 CB LEU A 85 11.693 -2.343 -6.950 1.00 0.00 C ATOM 1263 CG LEU A 85 13.197 -2.194 -6.717 1.00 0.00 C ATOM 1264 CD1 LEU A 85 13.539 -2.455 -5.258 1.00 0.00 C ATOM 1265 CD2 LEU A 85 13.973 -3.137 -7.625 1.00 0.00 C ATOM 0 H LEU A 85 12.370 -0.456 -8.444 1.00 0.00 H new ATOM 0 HA LEU A 85 11.708 -2.977 -9.005 1.00 0.00 H new ATOM 0 HB2 LEU A 85 11.176 -1.593 -6.351 1.00 0.00 H new ATOM 0 HB3 LEU A 85 11.382 -3.319 -6.576 1.00 0.00 H new ATOM 0 HG LEU A 85 13.483 -1.171 -6.959 1.00 0.00 H new ATOM 0 HD11 LEU A 85 14.613 -2.345 -5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.011 -1.740 -4.627 1.00 0.00 H new ATOM 0 HD13 LEU A 85 13.238 -3.468 -4.989 1.00 0.00 H new ATOM 0 HD21 LEU A 85 15.041 -3.017 -7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 85 13.683 -4.166 -7.414 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.752 -2.904 -8.666 1.00 0.00 H new ATOM 1277 N PRO A 86 9.292 -3.687 -8.560 1.00 0.00 N ATOM 1278 CA PRO A 86 7.873 -4.047 -8.639 1.00 0.00 C ATOM 1279 C PRO A 86 7.136 -3.786 -7.330 1.00 0.00 C ATOM 1280 O PRO A 86 7.461 -4.347 -6.283 1.00 0.00 O ATOM 1281 CB PRO A 86 7.905 -5.547 -8.945 1.00 0.00 C ATOM 1282 CG PRO A 86 9.212 -6.016 -8.407 1.00 0.00 C ATOM 1283 CD PRO A 86 10.169 -4.870 -8.585 1.00 0.00 C ATOM 0 HA PRO A 86 7.343 -3.457 -9.386 1.00 0.00 H new ATOM 0 HB2 PRO A 86 7.072 -6.066 -8.470 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.828 -5.734 -10.016 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.125 -6.292 -7.356 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.559 -6.901 -8.941 1.00 0.00 H new ATOM 0 HD2 PRO A 86 10.910 -4.838 -7.787 1.00 0.00 H new ATOM 0 HD3 PRO A 86 10.716 -4.945 -9.525 1.00 0.00 H new ATOM 1291 N PRO A 87 6.118 -2.914 -7.387 1.00 0.00 N ATOM 1292 CA PRO A 87 5.313 -2.560 -6.214 1.00 0.00 C ATOM 1293 C PRO A 87 4.429 -3.712 -5.749 1.00 0.00 C ATOM 1294 O PRO A 87 4.260 -4.704 -6.458 1.00 0.00 O ATOM 1295 CB PRO A 87 4.454 -1.395 -6.712 1.00 0.00 C ATOM 1296 CG PRO A 87 4.367 -1.592 -8.187 1.00 0.00 C ATOM 1297 CD PRO A 87 5.675 -2.208 -8.600 1.00 0.00 C ATOM 0 HA PRO A 87 5.934 -2.312 -5.353 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.466 -1.407 -6.252 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.908 -0.435 -6.467 1.00 0.00 H new ATOM 0 HG2 PRO A 87 3.531 -2.242 -8.445 1.00 0.00 H new ATOM 0 HG3 PRO A 87 4.204 -0.643 -8.698 1.00 0.00 H new ATOM 0 HD2 PRO A 87 5.550 -2.892 -9.440 1.00 0.00 H new ATOM 0 HD3 PRO A 87 6.395 -1.451 -8.910 1.00 0.00 H new ATOM 1305 N VAL A 88 3.866 -3.574 -4.552 1.00 0.00 N ATOM 1306 CA VAL A 88 2.997 -4.603 -3.993 1.00 0.00 C ATOM 1307 C VAL A 88 1.555 -4.116 -3.905 1.00 0.00 C ATOM 1308 O VAL A 88 1.264 -3.123 -3.238 1.00 0.00 O ATOM 1309 CB VAL A 88 3.469 -5.034 -2.591 1.00 0.00 C ATOM 1310 CG1 VAL A 88 4.490 -6.156 -2.693 1.00 0.00 C ATOM 1311 CG2 VAL A 88 4.044 -3.846 -1.834 1.00 0.00 C ATOM 0 H VAL A 88 3.996 -2.760 -3.951 1.00 0.00 H new ATOM 0 HA VAL A 88 3.047 -5.460 -4.665 1.00 0.00 H new ATOM 0 HB VAL A 88 2.609 -5.408 -2.036 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.812 -6.447 -1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.040 -7.013 -3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.352 -5.813 -3.266 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.372 -4.169 -0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 88 4.893 -3.440 -2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.279 -3.077 -1.729 1.00 0.00 H new ATOM 1321 N SER A 89 0.656 -4.823 -4.581 1.00 0.00 N ATOM 1322 CA SER A 89 -0.757 -4.461 -4.582 1.00 0.00 C ATOM 1323 C SER A 89 -1.536 -5.310 -3.582 1.00 0.00 C ATOM 1324 O SER A 89 -1.406 -6.534 -3.553 1.00 0.00 O ATOM 1325 CB SER A 89 -1.348 -4.633 -5.983 1.00 0.00 C ATOM 1326 OG SER A 89 -1.346 -5.996 -6.374 1.00 0.00 O ATOM 0 H SER A 89 0.880 -5.650 -5.135 1.00 0.00 H new ATOM 0 HA SER A 89 -0.839 -3.415 -4.286 1.00 0.00 H new ATOM 0 HB2 SER A 89 -2.368 -4.248 -6.001 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.773 -4.045 -6.698 1.00 0.00 H new ATOM 0 HG SER A 89 -1.395 -6.565 -5.578 1.00 0.00 H new ATOM 1332 N THR A 90 -2.346 -4.649 -2.760 1.00 0.00 N ATOM 1333 CA THR A 90 -3.146 -5.341 -1.757 1.00 0.00 C ATOM 1334 C THR A 90 -4.522 -4.702 -1.615 1.00 0.00 C ATOM 1335 O THR A 90 -4.641 -3.484 -1.481 1.00 0.00 O ATOM 1336 CB THR A 90 -2.447 -5.339 -0.384 1.00 0.00 C ATOM 1337 OG1 THR A 90 -3.058 -6.307 0.477 1.00 0.00 O ATOM 1338 CG2 THR A 90 -2.521 -3.963 0.259 1.00 0.00 C ATOM 0 H THR A 90 -2.465 -3.636 -2.769 1.00 0.00 H new ATOM 0 HA THR A 90 -3.260 -6.370 -2.098 1.00 0.00 H new ATOM 0 HB THR A 90 -1.398 -5.596 -0.534 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.607 -6.301 1.347 1.00 0.00 H new ATOM 0 HG21 THR A 90 -2.021 -3.986 1.227 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.030 -3.233 -0.385 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.565 -3.681 0.397 1.00 0.00 H new ATOM 1346 N SER A 91 -5.561 -5.531 -1.643 1.00 0.00 N ATOM 1347 CA SER A 91 -6.930 -5.046 -1.520 1.00 0.00 C ATOM 1348 C SER A 91 -7.395 -5.092 -0.068 1.00 0.00 C ATOM 1349 O SER A 91 -7.310 -6.129 0.591 1.00 0.00 O ATOM 1350 CB SER A 91 -7.869 -5.879 -2.395 1.00 0.00 C ATOM 1351 OG SER A 91 -7.647 -7.266 -2.204 1.00 0.00 O ATOM 0 H SER A 91 -5.480 -6.542 -1.750 1.00 0.00 H new ATOM 0 HA SER A 91 -6.954 -4.010 -1.858 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.905 -5.637 -2.156 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.716 -5.624 -3.444 1.00 0.00 H new ATOM 0 HG SER A 91 -7.535 -7.451 -1.248 1.00 0.00 H new ATOM 1357 N PHE A 92 -7.886 -3.960 0.426 1.00 0.00 N ATOM 1358 CA PHE A 92 -8.364 -3.869 1.801 1.00 0.00 C ATOM 1359 C PHE A 92 -9.744 -3.222 1.855 1.00 0.00 C ATOM 1360 O PHE A 92 -10.014 -2.247 1.152 1.00 0.00 O ATOM 1361 CB PHE A 92 -7.378 -3.068 2.653 1.00 0.00 C ATOM 1362 CG PHE A 92 -7.274 -1.624 2.252 1.00 0.00 C ATOM 1363 CD1 PHE A 92 -8.118 -0.675 2.805 1.00 0.00 C ATOM 1364 CD2 PHE A 92 -6.332 -1.216 1.321 1.00 0.00 C ATOM 1365 CE1 PHE A 92 -8.025 0.654 2.437 1.00 0.00 C ATOM 1366 CE2 PHE A 92 -6.234 0.112 0.949 1.00 0.00 C ATOM 1367 CZ PHE A 92 -7.081 1.048 1.509 1.00 0.00 C ATOM 0 H PHE A 92 -7.963 -3.093 -0.105 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.441 -4.880 2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.683 -3.125 3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -6.392 -3.528 2.583 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -8.857 -0.977 3.532 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -5.667 -1.944 0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -8.690 1.384 2.875 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -5.496 0.417 0.222 1.00 0.00 H new ATOM 0 HZ PHE A 92 -7.005 2.086 1.222 1.00 0.00 H new ATOM 1377 N THR A 93 -10.616 -3.771 2.695 1.00 0.00 N ATOM 1378 CA THR A 93 -11.969 -3.249 2.841 1.00 0.00 C ATOM 1379 C THR A 93 -12.116 -2.457 4.135 1.00 0.00 C ATOM 1380 O THR A 93 -11.652 -2.883 5.193 1.00 0.00 O ATOM 1381 CB THR A 93 -13.013 -4.382 2.825 1.00 0.00 C ATOM 1382 OG1 THR A 93 -12.832 -5.198 1.663 1.00 0.00 O ATOM 1383 CG2 THR A 93 -14.425 -3.817 2.840 1.00 0.00 C ATOM 0 H THR A 93 -10.409 -4.577 3.285 1.00 0.00 H new ATOM 0 HA THR A 93 -12.146 -2.589 1.992 1.00 0.00 H new ATOM 0 HB THR A 93 -12.872 -4.989 3.720 1.00 0.00 H new ATOM 0 HG1 THR A 93 -13.498 -5.917 1.661 1.00 0.00 H new ATOM 0 HG21 THR A 93 -15.145 -4.636 2.828 1.00 0.00 H new ATOM 0 HG22 THR A 93 -14.569 -3.220 3.741 1.00 0.00 H new ATOM 0 HG23 THR A 93 -14.575 -3.189 1.962 1.00 0.00 H new ATOM 1391 N THR A 94 -12.766 -1.300 4.044 1.00 0.00 N ATOM 1392 CA THR A 94 -12.974 -0.447 5.208 1.00 0.00 C ATOM 1393 C THR A 94 -14.222 -0.863 5.978 1.00 0.00 C ATOM 1394 O THR A 94 -15.187 -1.356 5.396 1.00 0.00 O ATOM 1395 CB THR A 94 -13.103 1.033 4.803 1.00 0.00 C ATOM 1396 OG1 THR A 94 -14.094 1.177 3.780 1.00 0.00 O ATOM 1397 CG2 THR A 94 -11.772 1.577 4.306 1.00 0.00 C ATOM 0 H THR A 94 -13.157 -0.933 3.177 1.00 0.00 H new ATOM 0 HA THR A 94 -12.100 -0.566 5.848 1.00 0.00 H new ATOM 0 HB THR A 94 -13.404 1.602 5.683 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.177 2.122 3.535 1.00 0.00 H new ATOM 0 HG21 THR A 94 -11.889 2.624 4.026 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.027 1.494 5.097 1.00 0.00 H new ATOM 0 HG23 THR A 94 -11.446 1.003 3.438 1.00 0.00 H new ATOM 1405 N GLY A 95 -14.196 -0.659 7.292 1.00 0.00 N ATOM 1406 CA GLY A 95 -15.332 -1.018 8.120 1.00 0.00 C ATOM 1407 C GLY A 95 -16.580 -0.235 7.764 1.00 0.00 C ATOM 1408 O GLY A 95 -16.642 0.404 6.715 1.00 0.00 O ATOM 0 H GLY A 95 -13.409 -0.252 7.797 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -15.533 -2.084 8.013 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -15.084 -0.844 9.167 1.00 0.00 H new ATOM 1412 N GLY A 96 -17.579 -0.285 8.640 1.00 0.00 N ATOM 1413 CA GLY A 96 -18.818 0.428 8.394 1.00 0.00 C ATOM 1414 C GLY A 96 -19.122 1.452 9.470 1.00 0.00 C ATOM 1415 O GLY A 96 -18.565 1.394 10.567 1.00 0.00 O ATOM 0 H GLY A 96 -17.552 -0.807 9.516 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -18.760 0.928 7.427 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -19.639 -0.287 8.335 1.00 0.00 H new ATOM 1419 N LEU A 97 -20.007 2.392 9.157 1.00 0.00 N ATOM 1420 CA LEU A 97 -20.383 3.435 10.106 1.00 0.00 C ATOM 1421 C LEU A 97 -21.505 2.958 11.022 1.00 0.00 C ATOM 1422 O LEU A 97 -22.644 3.415 10.915 1.00 0.00 O ATOM 1423 CB LEU A 97 -20.819 4.697 9.360 1.00 0.00 C ATOM 1424 CG LEU A 97 -19.780 5.318 8.426 1.00 0.00 C ATOM 1425 CD1 LEU A 97 -20.428 6.351 7.517 1.00 0.00 C ATOM 1426 CD2 LEU A 97 -18.650 5.947 9.229 1.00 0.00 C ATOM 0 H LEU A 97 -20.478 2.454 8.254 1.00 0.00 H new ATOM 0 HA LEU A 97 -19.512 3.666 10.719 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -21.708 4.460 8.775 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -21.111 5.447 10.095 1.00 0.00 H new ATOM 0 HG LEU A 97 -19.361 4.528 7.803 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -19.673 6.782 6.860 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -21.202 5.873 6.916 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -20.874 7.140 8.123 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -17.919 6.384 8.548 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -19.053 6.725 9.877 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -18.167 5.183 9.838 1.00 0.00 H new