USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 644 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 38 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 28 ASN : amide:sc= -1.89 X(o=-1.9,f=-1.5) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0364 K(o=-0.036,f=-1.6!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -170:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -96:sc= 0.818 USER MOD Single : A 24 SER OG : rot 180:sc= -0.38 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0538 USER MOD Single : A 70 HIS : no HE2:sc= -4.81 K(o=-4.8,f=-5.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot -150:sc=-0.00322 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0282 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.198 X(o=-0.2,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 148:sc= 0.0196 (180deg=0) USER MOD Single : A 98 SER OG : rot -12:sc= 0.512! USER MOD Single : A 100 GLN : amide:sc= -0.097 K(o=-0.097,f=-1.8!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 156:sc= 0.802 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 11 -0.199 -11.448 7.909 1.00 0.00 N ATOM 116 CA ARG A 11 -0.970 -10.307 8.387 1.00 0.00 C ATOM 117 C ARG A 11 -0.278 -8.995 8.029 1.00 0.00 C ATOM 118 O ARG A 11 0.791 -8.991 7.417 1.00 0.00 O ATOM 119 CB ARG A 11 -1.167 -10.396 9.901 1.00 0.00 C ATOM 120 CG ARG A 11 -1.173 -11.820 10.432 1.00 0.00 C ATOM 121 CD ARG A 11 0.238 -12.333 10.670 1.00 0.00 C ATOM 122 NE ARG A 11 0.697 -12.063 12.029 1.00 0.00 N ATOM 123 CZ ARG A 11 1.725 -12.686 12.596 1.00 0.00 C ATOM 124 NH1 ARG A 11 2.397 -13.609 11.923 1.00 0.00 N ATOM 125 NH2 ARG A 11 2.083 -12.384 13.837 1.00 0.00 N ATOM 0 HA ARG A 11 -1.944 -10.329 7.899 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.373 -9.836 10.396 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.109 -9.915 10.165 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.737 -11.859 11.364 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.683 -12.472 9.723 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.270 -13.406 10.483 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.918 -11.866 9.958 1.00 0.00 H new ATOM 0 HE ARG A 11 0.201 -11.357 12.574 1.00 0.00 H new ATOM 0 HH11 ARG A 11 2.126 -13.842 10.968 1.00 0.00 H new ATOM 0 HH12 ARG A 11 3.186 -14.086 12.360 1.00 0.00 H new ATOM 0 HH21 ARG A 11 1.569 -11.673 14.357 1.00 0.00 H new ATOM 0 HH22 ARG A 11 2.872 -12.863 14.271 1.00 0.00 H new ATOM 139 N LEU A 12 -0.895 -7.883 8.413 1.00 0.00 N ATOM 140 CA LEU A 12 -0.340 -6.564 8.132 1.00 0.00 C ATOM 141 C LEU A 12 0.485 -6.058 9.312 1.00 0.00 C ATOM 142 O LEU A 12 0.399 -6.593 10.417 1.00 0.00 O ATOM 143 CB LEU A 12 -1.462 -5.573 7.818 1.00 0.00 C ATOM 144 CG LEU A 12 -1.994 -5.594 6.385 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.316 -4.848 6.295 1.00 0.00 C ATOM 146 CD2 LEU A 12 -0.975 -4.993 5.428 1.00 0.00 C ATOM 0 H LEU A 12 -1.780 -7.869 8.920 1.00 0.00 H new ATOM 0 HA LEU A 12 0.314 -6.650 7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.293 -5.769 8.496 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.103 -4.567 8.036 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.165 -6.631 6.097 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.679 -4.874 5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.047 -5.322 6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.171 -3.812 6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.371 -5.017 4.413 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.771 -3.961 5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.051 -5.570 5.470 1.00 0.00 H new ATOM 158 N SER A 13 1.284 -5.024 9.069 1.00 0.00 N ATOM 159 CA SER A 13 2.125 -4.447 10.110 1.00 0.00 C ATOM 160 C SER A 13 1.536 -3.135 10.621 1.00 0.00 C ATOM 161 O SER A 13 0.485 -2.694 10.157 1.00 0.00 O ATOM 162 CB SER A 13 3.540 -4.210 9.579 1.00 0.00 C ATOM 163 OG SER A 13 4.502 -4.342 10.611 1.00 0.00 O ATOM 0 H SER A 13 1.366 -4.569 8.160 1.00 0.00 H new ATOM 0 HA SER A 13 2.168 -5.153 10.939 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.757 -4.922 8.783 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.605 -3.214 9.142 1.00 0.00 H new ATOM 0 HG SER A 13 5.398 -4.187 10.245 1.00 0.00 H new ATOM 169 N GLN A 14 2.221 -2.519 11.578 1.00 0.00 N ATOM 170 CA GLN A 14 1.765 -1.259 12.153 1.00 0.00 C ATOM 171 C GLN A 14 1.631 -0.187 11.077 1.00 0.00 C ATOM 172 O GLN A 14 2.628 0.287 10.530 1.00 0.00 O ATOM 173 CB GLN A 14 2.734 -0.789 13.240 1.00 0.00 C ATOM 174 CG GLN A 14 4.193 -1.058 12.910 1.00 0.00 C ATOM 175 CD GLN A 14 5.143 -0.228 13.751 1.00 0.00 C ATOM 176 OE1 GLN A 14 4.719 0.641 14.514 1.00 0.00 O ATOM 177 NE2 GLN A 14 6.438 -0.492 13.617 1.00 0.00 N ATOM 0 H GLN A 14 3.093 -2.871 11.972 1.00 0.00 H new ATOM 0 HA GLN A 14 0.784 -1.426 12.598 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.597 0.281 13.400 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.484 -1.286 14.178 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.407 -2.116 13.063 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.368 -0.847 11.855 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.746 -1.221 12.973 1.00 0.00 H new ATOM 0 HE22 GLN A 14 7.124 0.034 14.158 1.00 0.00 H new ATOM 186 N LEU A 15 0.393 0.192 10.777 1.00 0.00 N ATOM 187 CA LEU A 15 0.128 1.208 9.765 1.00 0.00 C ATOM 188 C LEU A 15 0.304 2.609 10.342 1.00 0.00 C ATOM 189 O LEU A 15 -0.554 3.102 11.074 1.00 0.00 O ATOM 190 CB LEU A 15 -1.288 1.047 9.210 1.00 0.00 C ATOM 191 CG LEU A 15 -1.692 2.025 8.106 1.00 0.00 C ATOM 192 CD1 LEU A 15 -0.984 1.683 6.805 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.202 2.017 7.913 1.00 0.00 C ATOM 0 H LEU A 15 -0.443 -0.189 11.220 1.00 0.00 H new ATOM 0 HA LEU A 15 0.846 1.075 8.955 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.393 0.033 8.825 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.994 1.149 10.034 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.390 3.028 8.407 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.284 2.390 6.031 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.095 1.741 6.951 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.254 0.673 6.498 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.472 2.719 7.124 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.528 1.015 7.635 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.689 2.312 8.842 1.00 0.00 H new ATOM 205 N SER A 16 1.420 3.247 10.004 1.00 0.00 N ATOM 206 CA SER A 16 1.710 4.591 10.490 1.00 0.00 C ATOM 207 C SER A 16 1.592 5.613 9.363 1.00 0.00 C ATOM 208 O SER A 16 1.641 5.262 8.184 1.00 0.00 O ATOM 209 CB SER A 16 3.112 4.646 11.098 1.00 0.00 C ATOM 210 OG SER A 16 3.209 3.803 12.233 1.00 0.00 O ATOM 0 H SER A 16 2.138 2.855 9.395 1.00 0.00 H new ATOM 0 HA SER A 16 0.979 4.837 11.260 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.847 4.343 10.352 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.349 5.671 11.381 1.00 0.00 H new ATOM 0 HG SER A 16 4.115 3.855 12.602 1.00 0.00 H new ATOM 216 N VAL A 17 1.436 6.880 9.735 1.00 0.00 N ATOM 217 CA VAL A 17 1.313 7.954 8.757 1.00 0.00 C ATOM 218 C VAL A 17 2.514 8.891 8.814 1.00 0.00 C ATOM 219 O VAL A 17 2.895 9.366 9.885 1.00 0.00 O ATOM 220 CB VAL A 17 0.027 8.771 8.981 1.00 0.00 C ATOM 221 CG1 VAL A 17 0.115 10.112 8.268 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.190 7.988 8.512 1.00 0.00 C ATOM 0 H VAL A 17 1.392 7.187 10.707 1.00 0.00 H new ATOM 0 HA VAL A 17 1.270 7.484 7.775 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.081 8.961 10.049 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.803 10.675 8.438 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.964 10.675 8.656 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.247 9.948 7.199 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.090 8.580 8.678 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.092 7.766 7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.261 7.056 9.072 1.00 0.00 H new ATOM 232 N THR A 18 3.109 9.154 7.655 1.00 0.00 N ATOM 233 CA THR A 18 4.267 10.034 7.573 1.00 0.00 C ATOM 234 C THR A 18 4.016 11.186 6.606 1.00 0.00 C ATOM 235 O THR A 18 3.162 11.094 5.725 1.00 0.00 O ATOM 236 CB THR A 18 5.525 9.266 7.123 1.00 0.00 C ATOM 237 OG1 THR A 18 5.514 9.100 5.700 1.00 0.00 O ATOM 238 CG2 THR A 18 5.598 7.905 7.797 1.00 0.00 C ATOM 0 H THR A 18 2.807 8.770 6.760 1.00 0.00 H new ATOM 0 HA THR A 18 4.432 10.433 8.574 1.00 0.00 H new ATOM 0 HB THR A 18 6.401 9.845 7.414 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.317 8.613 5.421 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.494 7.382 7.464 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.635 8.036 8.878 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.717 7.320 7.533 1.00 0.00 H new ATOM 246 N ASP A 19 4.765 12.269 6.777 1.00 0.00 N ATOM 247 CA ASP A 19 4.624 13.439 5.918 1.00 0.00 C ATOM 248 C ASP A 19 3.210 14.006 5.999 1.00 0.00 C ATOM 249 O ASP A 19 2.630 14.400 4.987 1.00 0.00 O ATOM 250 CB ASP A 19 4.961 13.079 4.470 1.00 0.00 C ATOM 251 CG ASP A 19 6.429 13.280 4.150 1.00 0.00 C ATOM 252 OD1 ASP A 19 7.278 12.776 4.914 1.00 0.00 O ATOM 253 OD2 ASP A 19 6.729 13.942 3.134 1.00 0.00 O ATOM 0 H ASP A 19 5.476 12.361 7.502 1.00 0.00 H new ATOM 0 HA ASP A 19 5.322 14.201 6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.691 12.039 4.285 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.359 13.689 3.797 1.00 0.00 H new ATOM 258 N VAL A 20 2.661 14.042 7.209 1.00 0.00 N ATOM 259 CA VAL A 20 1.315 14.560 7.422 1.00 0.00 C ATOM 260 C VAL A 20 1.154 15.944 6.802 1.00 0.00 C ATOM 261 O VAL A 20 1.616 16.942 7.355 1.00 0.00 O ATOM 262 CB VAL A 20 0.975 14.639 8.922 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.506 14.923 9.120 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.378 13.353 9.627 1.00 0.00 C ATOM 0 H VAL A 20 3.128 13.719 8.056 1.00 0.00 H new ATOM 0 HA VAL A 20 0.628 13.866 6.937 1.00 0.00 H new ATOM 0 HB VAL A 20 1.540 15.461 9.362 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.727 14.975 10.186 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.760 15.873 8.650 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.093 14.125 8.666 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.131 13.426 10.686 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.842 12.513 9.186 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.451 13.197 9.515 1.00 0.00 H new ATOM 274 N THR A 21 0.494 15.997 5.649 1.00 0.00 N ATOM 275 CA THR A 21 0.273 17.258 4.953 1.00 0.00 C ATOM 276 C THR A 21 -0.965 17.970 5.487 1.00 0.00 C ATOM 277 O THR A 21 -1.878 17.338 6.018 1.00 0.00 O ATOM 278 CB THR A 21 0.112 17.042 3.436 1.00 0.00 C ATOM 279 OG1 THR A 21 0.962 15.975 3.001 1.00 0.00 O ATOM 280 CG2 THR A 21 0.451 18.311 2.670 1.00 0.00 C ATOM 0 H THR A 21 0.103 15.181 5.178 1.00 0.00 H new ATOM 0 HA THR A 21 1.152 17.877 5.133 1.00 0.00 H new ATOM 0 HB THR A 21 -0.928 16.783 3.236 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.975 15.946 2.022 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.330 18.134 1.601 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.216 19.114 2.983 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.483 18.596 2.876 1.00 0.00 H new ATOM 288 N THR A 22 -0.990 19.292 5.342 1.00 0.00 N ATOM 289 CA THR A 22 -2.116 20.090 5.811 1.00 0.00 C ATOM 290 C THR A 22 -3.443 19.428 5.461 1.00 0.00 C ATOM 291 O THR A 22 -4.313 19.269 6.318 1.00 0.00 O ATOM 292 CB THR A 22 -2.088 21.508 5.208 1.00 0.00 C ATOM 293 OG1 THR A 22 -1.932 21.433 3.786 1.00 0.00 O ATOM 294 CG2 THR A 22 -0.954 22.328 5.805 1.00 0.00 C ATOM 0 H THR A 22 -0.244 19.832 4.904 1.00 0.00 H new ATOM 0 HA THR A 22 -2.024 20.161 6.895 1.00 0.00 H new ATOM 0 HB THR A 22 -3.033 21.998 5.444 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.917 22.338 3.410 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.954 23.325 5.364 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.092 22.408 6.883 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.002 21.839 5.596 1.00 0.00 H new ATOM 302 N SER A 23 -3.592 19.042 4.198 1.00 0.00 N ATOM 303 CA SER A 23 -4.816 18.399 3.734 1.00 0.00 C ATOM 304 C SER A 23 -4.511 17.050 3.090 1.00 0.00 C ATOM 305 O SER A 23 -5.304 16.531 2.306 1.00 0.00 O ATOM 306 CB SER A 23 -5.545 19.301 2.736 1.00 0.00 C ATOM 307 OG SER A 23 -6.274 20.316 3.403 1.00 0.00 O ATOM 0 H SER A 23 -2.880 19.163 3.477 1.00 0.00 H new ATOM 0 HA SER A 23 -5.459 18.232 4.598 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.823 19.754 2.056 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.223 18.702 2.128 1.00 0.00 H new ATOM 0 HG SER A 23 -7.208 20.036 3.504 1.00 0.00 H new ATOM 313 N SER A 24 -3.354 16.489 3.428 1.00 0.00 N ATOM 314 CA SER A 24 -2.940 15.202 2.880 1.00 0.00 C ATOM 315 C SER A 24 -1.965 14.500 3.820 1.00 0.00 C ATOM 316 O SER A 24 -1.613 15.028 4.876 1.00 0.00 O ATOM 317 CB SER A 24 -2.294 15.393 1.506 1.00 0.00 C ATOM 318 OG SER A 24 -2.880 16.482 0.814 1.00 0.00 O ATOM 0 H SER A 24 -2.687 16.905 4.078 1.00 0.00 H new ATOM 0 HA SER A 24 -3.827 14.578 2.773 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.224 15.567 1.624 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.406 14.482 0.918 1.00 0.00 H new ATOM 0 HG SER A 24 -2.449 16.584 -0.060 1.00 0.00 H new ATOM 324 N LEU A 25 -1.532 13.307 3.429 1.00 0.00 N ATOM 325 CA LEU A 25 -0.597 12.530 4.236 1.00 0.00 C ATOM 326 C LEU A 25 -0.150 11.275 3.493 1.00 0.00 C ATOM 327 O LEU A 25 -0.598 11.008 2.378 1.00 0.00 O ATOM 328 CB LEU A 25 -1.240 12.146 5.569 1.00 0.00 C ATOM 329 CG LEU A 25 -2.759 11.968 5.555 1.00 0.00 C ATOM 330 CD1 LEU A 25 -3.130 10.582 5.049 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.336 12.202 6.944 1.00 0.00 C ATOM 0 H LEU A 25 -1.813 12.856 2.558 1.00 0.00 H new ATOM 0 HA LEU A 25 0.280 13.148 4.428 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.788 11.215 5.913 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.991 12.912 6.304 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.186 12.706 4.876 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.215 10.474 5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.750 10.451 4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.692 9.827 5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.418 12.071 6.915 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.902 11.487 7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.102 13.216 7.269 1.00 0.00 H new ATOM 343 N ARG A 26 0.735 10.506 4.121 1.00 0.00 N ATOM 344 CA ARG A 26 1.242 9.278 3.520 1.00 0.00 C ATOM 345 C ARG A 26 1.191 8.124 4.517 1.00 0.00 C ATOM 346 O ARG A 26 1.342 8.324 5.723 1.00 0.00 O ATOM 347 CB ARG A 26 2.676 9.480 3.030 1.00 0.00 C ATOM 348 CG ARG A 26 3.200 8.328 2.187 1.00 0.00 C ATOM 349 CD ARG A 26 4.716 8.363 2.075 1.00 0.00 C ATOM 350 NE ARG A 26 5.166 9.261 1.014 1.00 0.00 N ATOM 351 CZ ARG A 26 5.223 8.913 -0.267 1.00 0.00 C ATOM 352 NH1 ARG A 26 4.860 7.695 -0.644 1.00 0.00 N ATOM 353 NH2 ARG A 26 5.643 9.786 -1.174 1.00 0.00 N ATOM 0 H ARG A 26 1.115 10.712 5.045 1.00 0.00 H new ATOM 0 HA ARG A 26 0.607 9.029 2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.725 10.399 2.445 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.330 9.615 3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.889 7.382 2.629 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.759 8.375 1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.142 8.683 3.026 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.088 7.357 1.881 1.00 0.00 H new ATOM 0 HE ARG A 26 5.452 10.206 1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.536 7.022 0.050 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.905 7.431 -1.628 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.922 10.724 -0.888 1.00 0.00 H new ATOM 0 HH22 ARG A 26 5.687 9.519 -2.157 1.00 0.00 H new ATOM 367 N LEU A 27 0.977 6.917 4.006 1.00 0.00 N ATOM 368 CA LEU A 27 0.905 5.730 4.851 1.00 0.00 C ATOM 369 C LEU A 27 2.046 4.768 4.536 1.00 0.00 C ATOM 370 O LEU A 27 2.676 4.860 3.483 1.00 0.00 O ATOM 371 CB LEU A 27 -0.439 5.024 4.660 1.00 0.00 C ATOM 372 CG LEU A 27 -1.627 5.630 5.408 1.00 0.00 C ATOM 373 CD1 LEU A 27 -2.929 5.309 4.692 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.667 5.126 6.843 1.00 0.00 C ATOM 0 H LEU A 27 0.850 6.734 3.011 1.00 0.00 H new ATOM 0 HA LEU A 27 0.997 6.048 5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.673 5.013 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.329 3.986 4.973 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.505 6.713 5.428 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.763 5.749 5.239 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.900 5.720 3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.059 4.228 4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.519 5.568 7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.764 4.040 6.845 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.746 5.408 7.354 1.00 0.00 H new ATOM 386 N ASN A 28 2.306 3.845 5.456 1.00 0.00 N ATOM 387 CA ASN A 28 3.371 2.864 5.276 1.00 0.00 C ATOM 388 C ASN A 28 3.098 1.608 6.098 1.00 0.00 C ATOM 389 O ASN A 28 3.066 1.654 7.328 1.00 0.00 O ATOM 390 CB ASN A 28 4.719 3.466 5.676 1.00 0.00 C ATOM 391 CG ASN A 28 5.150 4.586 4.749 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.754 4.344 3.704 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.841 5.820 5.129 1.00 0.00 N ATOM 0 H ASN A 28 1.794 3.755 6.334 1.00 0.00 H new ATOM 0 HA ASN A 28 3.402 2.587 4.222 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.656 3.846 6.696 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.478 2.684 5.674 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.105 6.614 4.546 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.339 5.974 6.004 1.00 0.00 H new ATOM 400 N TRP A 29 2.902 0.489 5.410 1.00 0.00 N ATOM 401 CA TRP A 29 2.633 -0.780 6.076 1.00 0.00 C ATOM 402 C TRP A 29 3.536 -1.882 5.534 1.00 0.00 C ATOM 403 O TRP A 29 3.792 -1.951 4.333 1.00 0.00 O ATOM 404 CB TRP A 29 1.165 -1.172 5.897 1.00 0.00 C ATOM 405 CG TRP A 29 0.769 -1.352 4.463 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.837 -2.503 3.731 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.246 -0.348 3.586 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.388 -2.276 2.453 1.00 0.00 N ATOM 409 CE2 TRP A 29 0.019 -0.962 2.339 1.00 0.00 C ATOM 410 CE3 TRP A 29 -0.055 1.009 3.734 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.494 -0.263 1.248 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.563 1.700 2.651 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.779 1.064 1.421 1.00 0.00 C ATOM 0 H TRP A 29 2.924 0.435 4.392 1.00 0.00 H new ATOM 0 HA TRP A 29 2.842 -0.655 7.139 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.975 -2.099 6.438 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.534 -0.406 6.347 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.192 -3.453 4.103 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.338 -2.973 1.710 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.107 1.508 4.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.661 -0.752 0.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.798 2.749 2.754 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.178 1.632 0.594 1.00 0.00 H new ATOM 424 N GLU A 30 4.015 -2.742 6.428 1.00 0.00 N ATOM 425 CA GLU A 30 4.891 -3.840 6.037 1.00 0.00 C ATOM 426 C GLU A 30 4.104 -5.139 5.893 1.00 0.00 C ATOM 427 O GLU A 30 3.229 -5.440 6.705 1.00 0.00 O ATOM 428 CB GLU A 30 6.010 -4.020 7.064 1.00 0.00 C ATOM 429 CG GLU A 30 7.006 -5.107 6.696 1.00 0.00 C ATOM 430 CD GLU A 30 8.292 -5.015 7.495 1.00 0.00 C ATOM 431 OE1 GLU A 30 8.237 -5.200 8.729 1.00 0.00 O ATOM 432 OE2 GLU A 30 9.352 -4.759 6.887 1.00 0.00 O ATOM 0 H GLU A 30 3.811 -2.699 7.427 1.00 0.00 H new ATOM 0 HA GLU A 30 5.331 -3.593 5.071 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.542 -3.075 7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.568 -4.256 8.032 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.550 -6.083 6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.237 -5.038 5.633 1.00 0.00 H new ATOM 439 N ALA A 31 4.420 -5.905 4.854 1.00 0.00 N ATOM 440 CA ALA A 31 3.744 -7.172 4.604 1.00 0.00 C ATOM 441 C ALA A 31 4.695 -8.187 3.980 1.00 0.00 C ATOM 442 O ALA A 31 5.576 -7.846 3.190 1.00 0.00 O ATOM 443 CB ALA A 31 2.535 -6.956 3.706 1.00 0.00 C ATOM 0 H ALA A 31 5.141 -5.670 4.171 1.00 0.00 H new ATOM 0 HA ALA A 31 3.406 -7.571 5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.039 -7.910 3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.839 -6.271 4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.859 -6.532 2.756 1.00 0.00 H new ATOM 449 N PRO A 32 4.516 -9.467 4.341 1.00 0.00 N ATOM 450 CA PRO A 32 5.349 -10.558 3.828 1.00 0.00 C ATOM 451 C PRO A 32 5.093 -10.837 2.351 1.00 0.00 C ATOM 452 O PRO A 32 4.130 -10.348 1.759 1.00 0.00 O ATOM 453 CB PRO A 32 4.926 -11.758 4.680 1.00 0.00 C ATOM 454 CG PRO A 32 3.538 -11.440 5.118 1.00 0.00 C ATOM 455 CD PRO A 32 3.486 -9.946 5.278 1.00 0.00 C ATOM 0 HA PRO A 32 6.412 -10.325 3.893 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.958 -12.683 4.104 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.590 -11.891 5.534 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.809 -11.779 4.382 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.300 -11.941 6.056 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.501 -9.549 5.030 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.703 -9.644 6.303 1.00 0.00 H new ATOM 463 N PRO A 33 5.974 -11.642 1.739 1.00 0.00 N ATOM 464 CA PRO A 33 5.864 -12.005 0.323 1.00 0.00 C ATOM 465 C PRO A 33 4.682 -12.930 0.051 1.00 0.00 C ATOM 466 O PRO A 33 4.374 -13.810 0.853 1.00 0.00 O ATOM 467 CB PRO A 33 7.184 -12.726 0.037 1.00 0.00 C ATOM 468 CG PRO A 33 7.619 -13.257 1.360 1.00 0.00 C ATOM 469 CD PRO A 33 7.146 -12.261 2.382 1.00 0.00 C ATOM 0 HA PRO A 33 5.693 -11.133 -0.308 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.048 -13.529 -0.687 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.926 -12.044 -0.379 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.189 -14.241 1.546 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.702 -13.370 1.398 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.880 -12.745 3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.915 -11.523 2.610 1.00 0.00 H new ATOM 477 N GLY A 34 4.024 -12.724 -1.085 1.00 0.00 N ATOM 478 CA GLY A 34 2.883 -13.547 -1.442 1.00 0.00 C ATOM 479 C GLY A 34 1.798 -13.524 -0.384 1.00 0.00 C ATOM 480 O GLY A 34 1.128 -14.529 -0.150 1.00 0.00 O ATOM 0 H GLY A 34 4.261 -12.002 -1.765 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.470 -13.199 -2.389 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.214 -14.574 -1.596 1.00 0.00 H new ATOM 484 N ALA A 35 1.625 -12.373 0.258 1.00 0.00 N ATOM 485 CA ALA A 35 0.613 -12.223 1.297 1.00 0.00 C ATOM 486 C ALA A 35 -0.741 -11.861 0.696 1.00 0.00 C ATOM 487 O ALA A 35 -1.730 -12.567 0.898 1.00 0.00 O ATOM 488 CB ALA A 35 1.044 -11.168 2.305 1.00 0.00 C ATOM 0 H ALA A 35 2.172 -11.531 0.077 1.00 0.00 H new ATOM 0 HA ALA A 35 0.510 -13.179 1.810 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.279 -11.066 3.075 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.985 -11.468 2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.177 -10.213 1.797 1.00 0.00 H new ATOM 494 N PHE A 36 -0.779 -10.757 -0.043 1.00 0.00 N ATOM 495 CA PHE A 36 -2.013 -10.300 -0.672 1.00 0.00 C ATOM 496 C PHE A 36 -1.761 -9.865 -2.112 1.00 0.00 C ATOM 497 O PHE A 36 -0.636 -9.528 -2.482 1.00 0.00 O ATOM 498 CB PHE A 36 -2.618 -9.142 0.125 1.00 0.00 C ATOM 499 CG PHE A 36 -2.415 -9.264 1.608 1.00 0.00 C ATOM 500 CD1 PHE A 36 -3.315 -9.971 2.389 1.00 0.00 C ATOM 501 CD2 PHE A 36 -1.323 -8.671 2.221 1.00 0.00 C ATOM 502 CE1 PHE A 36 -3.130 -10.083 3.754 1.00 0.00 C ATOM 503 CE2 PHE A 36 -1.132 -8.780 3.586 1.00 0.00 C ATOM 504 CZ PHE A 36 -2.036 -9.488 4.353 1.00 0.00 C ATOM 0 H PHE A 36 0.030 -10.162 -0.221 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.717 -11.132 -0.681 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.177 -8.206 -0.218 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.686 -9.087 -0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.171 -10.440 1.926 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.613 -8.117 1.625 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.840 -10.635 4.352 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.277 -8.312 4.052 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.888 -9.577 5.419 1.00 0.00 H new ATOM 514 N ASP A 37 -2.815 -9.875 -2.920 1.00 0.00 N ATOM 515 CA ASP A 37 -2.709 -9.481 -4.320 1.00 0.00 C ATOM 516 C ASP A 37 -2.735 -7.962 -4.461 1.00 0.00 C ATOM 517 O ASP A 37 -1.991 -7.389 -5.256 1.00 0.00 O ATOM 518 CB ASP A 37 -3.846 -10.100 -5.134 1.00 0.00 C ATOM 519 CG ASP A 37 -3.840 -9.642 -6.579 1.00 0.00 C ATOM 520 OD1 ASP A 37 -4.010 -8.428 -6.817 1.00 0.00 O ATOM 521 OD2 ASP A 37 -3.667 -10.497 -7.472 1.00 0.00 O ATOM 0 H ASP A 37 -3.753 -10.152 -2.630 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.757 -9.847 -4.703 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.764 -11.186 -5.100 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.800 -9.838 -4.677 1.00 0.00 H new ATOM 526 N SER A 38 -3.597 -7.316 -3.683 1.00 0.00 N ATOM 527 CA SER A 38 -3.724 -5.863 -3.724 1.00 0.00 C ATOM 528 C SER A 38 -4.067 -5.309 -2.345 1.00 0.00 C ATOM 529 O SER A 38 -4.257 -6.062 -1.389 1.00 0.00 O ATOM 530 CB SER A 38 -4.798 -5.452 -4.733 1.00 0.00 C ATOM 531 OG SER A 38 -5.866 -6.384 -4.749 1.00 0.00 O ATOM 0 H SER A 38 -4.218 -7.775 -3.017 1.00 0.00 H new ATOM 0 HA SER A 38 -2.765 -5.448 -4.035 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.179 -4.462 -4.481 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.359 -5.381 -5.728 1.00 0.00 H new ATOM 0 HG SER A 38 -6.540 -6.098 -5.400 1.00 0.00 H new ATOM 537 N PHE A 39 -4.145 -3.986 -2.249 1.00 0.00 N ATOM 538 CA PHE A 39 -4.464 -3.328 -0.987 1.00 0.00 C ATOM 539 C PHE A 39 -5.516 -2.241 -1.190 1.00 0.00 C ATOM 540 O PHE A 39 -5.292 -1.275 -1.921 1.00 0.00 O ATOM 541 CB PHE A 39 -3.202 -2.723 -0.369 1.00 0.00 C ATOM 542 CG PHE A 39 -2.452 -3.677 0.517 1.00 0.00 C ATOM 543 CD1 PHE A 39 -3.042 -4.191 1.661 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.157 -4.059 0.207 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.355 -5.069 2.478 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.465 -4.937 1.020 1.00 0.00 C ATOM 547 CZ PHE A 39 -1.065 -5.442 2.157 1.00 0.00 C ATOM 0 H PHE A 39 -3.992 -3.348 -3.030 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.869 -4.078 -0.308 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.542 -2.386 -1.168 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.477 -1.842 0.210 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -4.051 -3.902 1.917 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.683 -3.666 -0.680 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.827 -5.463 3.366 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.544 -5.228 0.766 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.526 -6.128 2.794 1.00 0.00 H new ATOM 557 N LEU A 40 -6.662 -2.406 -0.541 1.00 0.00 N ATOM 558 CA LEU A 40 -7.750 -1.440 -0.650 1.00 0.00 C ATOM 559 C LEU A 40 -7.877 -0.617 0.628 1.00 0.00 C ATOM 560 O LEU A 40 -8.299 -1.125 1.667 1.00 0.00 O ATOM 561 CB LEU A 40 -9.069 -2.158 -0.941 1.00 0.00 C ATOM 562 CG LEU A 40 -10.188 -1.295 -1.524 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.694 -0.530 -2.742 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.392 -2.154 -1.883 1.00 0.00 C ATOM 0 H LEU A 40 -6.863 -3.200 0.067 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.522 -0.764 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.869 -2.976 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.428 -2.606 -0.014 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.495 -0.573 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.505 0.078 -3.143 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.864 0.115 -2.454 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.359 -1.235 -3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.179 -1.523 -2.297 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.099 -2.900 -2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.761 -2.655 -0.988 1.00 0.00 H new ATOM 576 N LEU A 41 -7.511 0.658 0.543 1.00 0.00 N ATOM 577 CA LEU A 41 -7.587 1.554 1.691 1.00 0.00 C ATOM 578 C LEU A 41 -8.911 2.309 1.707 1.00 0.00 C ATOM 579 O LEU A 41 -9.373 2.795 0.674 1.00 0.00 O ATOM 580 CB LEU A 41 -6.421 2.544 1.668 1.00 0.00 C ATOM 581 CG LEU A 41 -6.358 3.534 2.831 1.00 0.00 C ATOM 582 CD1 LEU A 41 -6.070 2.808 4.136 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.304 4.600 2.568 1.00 0.00 C ATOM 0 H LEU A 41 -7.159 1.094 -0.309 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.525 0.950 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.490 1.978 1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.469 3.110 0.738 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.328 4.024 2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.029 3.529 4.952 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.861 2.083 4.331 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -5.114 2.290 4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.273 5.296 3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.329 4.127 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -5.554 5.142 1.656 1.00 0.00 H new ATOM 595 N ARG A 42 -9.517 2.407 2.886 1.00 0.00 N ATOM 596 CA ARG A 42 -10.789 3.105 3.036 1.00 0.00 C ATOM 597 C ARG A 42 -10.683 4.208 4.085 1.00 0.00 C ATOM 598 O ARG A 42 -10.449 3.938 5.263 1.00 0.00 O ATOM 599 CB ARG A 42 -11.893 2.120 3.425 1.00 0.00 C ATOM 600 CG ARG A 42 -12.607 1.504 2.233 1.00 0.00 C ATOM 601 CD ARG A 42 -13.825 0.703 2.667 1.00 0.00 C ATOM 602 NE ARG A 42 -15.028 1.528 2.731 1.00 0.00 N ATOM 603 CZ ARG A 42 -16.194 1.093 3.197 1.00 0.00 C ATOM 604 NH1 ARG A 42 -16.312 -0.152 3.638 1.00 0.00 N ATOM 605 NH2 ARG A 42 -17.244 1.903 3.222 1.00 0.00 N ATOM 0 H ARG A 42 -9.148 2.012 3.751 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.040 3.561 2.078 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.461 1.323 4.030 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.624 2.634 4.049 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.914 2.291 1.545 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.919 0.856 1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -13.986 -0.119 1.969 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -13.637 0.259 3.645 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.970 2.491 2.400 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -15.507 -0.778 3.620 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.208 -0.484 3.995 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -17.157 2.861 2.883 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -18.138 1.568 3.580 1.00 0.00 H new ATOM 619 N PHE A 43 -10.856 5.451 3.649 1.00 0.00 N ATOM 620 CA PHE A 43 -10.778 6.595 4.550 1.00 0.00 C ATOM 621 C PHE A 43 -12.109 7.340 4.598 1.00 0.00 C ATOM 622 O PHE A 43 -12.518 7.967 3.622 1.00 0.00 O ATOM 623 CB PHE A 43 -9.665 7.546 4.106 1.00 0.00 C ATOM 624 CG PHE A 43 -9.621 7.767 2.621 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.292 6.732 1.762 1.00 0.00 C ATOM 626 CD2 PHE A 43 -9.910 9.012 2.085 1.00 0.00 C ATOM 627 CE1 PHE A 43 -9.252 6.932 0.395 1.00 0.00 C ATOM 628 CE2 PHE A 43 -9.872 9.218 0.719 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.541 8.178 -0.127 1.00 0.00 C ATOM 0 H PHE A 43 -11.051 5.692 2.677 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.552 6.224 5.550 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.799 8.506 4.604 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.705 7.147 4.434 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.064 5.756 2.165 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.168 9.830 2.742 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.995 6.116 -0.264 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.101 10.192 0.313 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.508 8.338 -1.195 1.00 0.00 H new ATOM 639 N GLY A 44 -12.781 7.266 5.743 1.00 0.00 N ATOM 640 CA GLY A 44 -14.059 7.936 5.898 1.00 0.00 C ATOM 641 C GLY A 44 -14.077 8.881 7.084 1.00 0.00 C ATOM 642 O GLY A 44 -13.259 8.761 7.996 1.00 0.00 O ATOM 0 H GLY A 44 -12.463 6.754 6.566 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.286 8.494 4.989 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.845 7.190 6.019 1.00 0.00 H new ATOM 646 N VAL A 45 -15.012 9.826 7.071 1.00 0.00 N ATOM 647 CA VAL A 45 -15.134 10.796 8.153 1.00 0.00 C ATOM 648 C VAL A 45 -15.934 10.223 9.317 1.00 0.00 C ATOM 649 O VAL A 45 -17.143 10.006 9.225 1.00 0.00 O ATOM 650 CB VAL A 45 -15.808 12.093 7.670 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.825 13.132 8.781 1.00 0.00 C ATOM 652 CG2 VAL A 45 -15.102 12.633 6.435 1.00 0.00 C ATOM 0 H VAL A 45 -15.696 9.940 6.323 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.123 11.024 8.489 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.840 11.867 7.401 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.305 14.042 8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.379 12.743 9.635 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.803 13.357 9.084 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.592 13.550 6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -14.060 12.844 6.675 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -15.148 11.892 5.637 1.00 0.00 H new ATOM 662 N PRO A 46 -15.247 9.972 10.441 1.00 0.00 N ATOM 663 CA PRO A 46 -15.874 9.421 11.646 1.00 0.00 C ATOM 664 C PRO A 46 -16.805 10.421 12.323 1.00 0.00 C ATOM 665 O PRO A 46 -16.353 11.391 12.932 1.00 0.00 O ATOM 666 CB PRO A 46 -14.682 9.103 12.552 1.00 0.00 C ATOM 667 CG PRO A 46 -13.605 10.029 12.102 1.00 0.00 C ATOM 668 CD PRO A 46 -13.804 10.206 10.622 1.00 0.00 C ATOM 0 HA PRO A 46 -16.499 8.557 11.422 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.929 9.263 13.601 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.376 8.062 12.452 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.670 10.985 12.622 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.620 9.615 12.317 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.515 11.205 10.294 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -13.207 9.497 10.049 1.00 0.00 H new ATOM 923 N GLU A 62 -11.457 5.478 -2.338 1.00 0.00 N ATOM 924 CA GLU A 62 -10.614 4.351 -1.955 1.00 0.00 C ATOM 925 C GLU A 62 -9.352 4.301 -2.811 1.00 0.00 C ATOM 926 O GLU A 62 -9.321 4.826 -3.925 1.00 0.00 O ATOM 927 CB GLU A 62 -11.388 3.038 -2.090 1.00 0.00 C ATOM 928 CG GLU A 62 -12.743 3.058 -1.404 1.00 0.00 C ATOM 929 CD GLU A 62 -13.518 1.770 -1.607 1.00 0.00 C ATOM 930 OE1 GLU A 62 -12.906 0.770 -2.035 1.00 0.00 O ATOM 931 OE2 GLU A 62 -14.737 1.763 -1.336 1.00 0.00 O ATOM 0 HA GLU A 62 -10.321 4.486 -0.914 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.529 2.816 -3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.790 2.229 -1.671 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.603 3.229 -0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -13.328 3.894 -1.787 1.00 0.00 H new ATOM 938 N LEU A 63 -8.311 3.665 -2.284 1.00 0.00 N ATOM 939 CA LEU A 63 -7.045 3.545 -2.998 1.00 0.00 C ATOM 940 C LEU A 63 -6.771 2.094 -3.380 1.00 0.00 C ATOM 941 O LEU A 63 -7.181 1.169 -2.680 1.00 0.00 O ATOM 942 CB LEU A 63 -5.899 4.084 -2.139 1.00 0.00 C ATOM 943 CG LEU A 63 -4.689 4.627 -2.899 1.00 0.00 C ATOM 944 CD1 LEU A 63 -5.087 5.821 -3.753 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.579 5.008 -1.931 1.00 0.00 C ATOM 0 H LEU A 63 -8.319 3.224 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.114 4.135 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.290 4.879 -1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.560 3.286 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.316 3.843 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.213 6.194 -4.287 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.848 5.517 -4.471 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.486 6.609 -3.114 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.725 5.393 -2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.941 5.775 -1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.275 4.129 -1.362 1.00 0.00 H new ATOM 957 N MET A 64 -6.072 1.903 -4.495 1.00 0.00 N ATOM 958 CA MET A 64 -5.740 0.564 -4.968 1.00 0.00 C ATOM 959 C MET A 64 -4.237 0.422 -5.187 1.00 0.00 C ATOM 960 O MET A 64 -3.676 1.012 -6.110 1.00 0.00 O ATOM 961 CB MET A 64 -6.487 0.259 -6.267 1.00 0.00 C ATOM 962 CG MET A 64 -6.715 -1.225 -6.504 1.00 0.00 C ATOM 963 SD MET A 64 -7.766 -1.976 -5.246 1.00 0.00 S ATOM 964 CE MET A 64 -8.326 -3.444 -6.104 1.00 0.00 C ATOM 0 H MET A 64 -5.725 2.658 -5.087 1.00 0.00 H new ATOM 0 HA MET A 64 -6.047 -0.150 -4.204 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.451 0.768 -6.250 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.924 0.670 -7.105 1.00 0.00 H new ATOM 0 HG2 MET A 64 -7.170 -1.367 -7.484 1.00 0.00 H new ATOM 0 HG3 MET A 64 -5.753 -1.738 -6.522 1.00 0.00 H new ATOM 0 HE1 MET A 64 -8.988 -4.016 -5.453 1.00 0.00 H new ATOM 0 HE2 MET A 64 -8.865 -3.155 -7.006 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.466 -4.057 -6.376 1.00 0.00 H new ATOM 974 N VAL A 65 -3.590 -0.363 -4.331 1.00 0.00 N ATOM 975 CA VAL A 65 -2.153 -0.583 -4.432 1.00 0.00 C ATOM 976 C VAL A 65 -1.818 -2.069 -4.366 1.00 0.00 C ATOM 977 O VAL A 65 -2.372 -2.821 -3.565 1.00 0.00 O ATOM 978 CB VAL A 65 -1.393 0.154 -3.313 1.00 0.00 C ATOM 979 CG1 VAL A 65 -0.013 0.578 -3.793 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.190 1.355 -2.829 1.00 0.00 C ATOM 0 H VAL A 65 -4.039 -0.857 -3.560 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.839 -0.186 -5.397 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.265 -0.530 -2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.508 1.097 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.557 -0.304 -4.086 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.115 1.245 -4.649 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.638 1.864 -2.039 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.352 2.043 -3.659 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.153 1.021 -2.442 1.00 0.00 H new ATOM 990 N PRO A 66 -0.887 -2.504 -5.229 1.00 0.00 N ATOM 991 CA PRO A 66 -0.456 -3.904 -5.288 1.00 0.00 C ATOM 992 C PRO A 66 0.349 -4.315 -4.060 1.00 0.00 C ATOM 993 O PRO A 66 1.083 -3.509 -3.488 1.00 0.00 O ATOM 994 CB PRO A 66 0.419 -3.953 -6.542 1.00 0.00 C ATOM 995 CG PRO A 66 0.916 -2.558 -6.713 1.00 0.00 C ATOM 996 CD PRO A 66 -0.184 -1.663 -6.212 1.00 0.00 C ATOM 0 HA PRO A 66 -1.302 -4.590 -5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.244 -4.655 -6.422 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.153 -4.279 -7.411 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.835 -2.399 -6.150 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.143 -2.350 -7.759 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.212 -0.756 -5.755 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.846 -1.350 -7.019 1.00 0.00 H new ATOM 1004 N GLY A 67 0.208 -5.575 -3.659 1.00 0.00 N ATOM 1005 CA GLY A 67 0.929 -6.070 -2.501 1.00 0.00 C ATOM 1006 C GLY A 67 2.359 -5.571 -2.452 1.00 0.00 C ATOM 1007 O GLY A 67 2.841 -5.144 -1.401 1.00 0.00 O ATOM 0 H GLY A 67 -0.393 -6.261 -4.115 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.409 -5.762 -1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.928 -7.160 -2.515 1.00 0.00 H new ATOM 1011 N THR A 68 3.043 -5.624 -3.590 1.00 0.00 N ATOM 1012 CA THR A 68 4.428 -5.177 -3.672 1.00 0.00 C ATOM 1013 C THR A 68 4.579 -3.757 -3.138 1.00 0.00 C ATOM 1014 O THR A 68 5.569 -3.433 -2.481 1.00 0.00 O ATOM 1015 CB THR A 68 4.950 -5.227 -5.121 1.00 0.00 C ATOM 1016 OG1 THR A 68 4.495 -4.079 -5.845 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.481 -6.493 -5.821 1.00 0.00 C ATOM 0 H THR A 68 2.660 -5.972 -4.469 1.00 0.00 H new ATOM 0 HA THR A 68 5.017 -5.858 -3.058 1.00 0.00 H new ATOM 0 HB THR A 68 6.040 -5.229 -5.092 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.832 -4.117 -6.764 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.862 -6.506 -6.842 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.853 -7.365 -5.284 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.391 -6.516 -5.840 1.00 0.00 H new ATOM 1025 N ARG A 69 3.592 -2.914 -3.424 1.00 0.00 N ATOM 1026 CA ARG A 69 3.617 -1.528 -2.973 1.00 0.00 C ATOM 1027 C ARG A 69 2.739 -1.343 -1.738 1.00 0.00 C ATOM 1028 O ARG A 69 1.543 -1.633 -1.765 1.00 0.00 O ATOM 1029 CB ARG A 69 3.145 -0.597 -4.091 1.00 0.00 C ATOM 1030 CG ARG A 69 4.276 -0.057 -4.952 1.00 0.00 C ATOM 1031 CD ARG A 69 3.747 0.785 -6.102 1.00 0.00 C ATOM 1032 NE ARG A 69 4.807 1.552 -6.751 1.00 0.00 N ATOM 1033 CZ ARG A 69 4.655 2.180 -7.912 1.00 0.00 C ATOM 1034 NH1 ARG A 69 3.493 2.131 -8.548 1.00 0.00 N ATOM 1035 NH2 ARG A 69 5.667 2.858 -8.438 1.00 0.00 N ATOM 0 H ARG A 69 2.766 -3.167 -3.966 1.00 0.00 H new ATOM 0 HA ARG A 69 4.644 -1.276 -2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.441 -1.134 -4.726 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.603 0.240 -3.651 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.947 0.544 -4.338 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.862 -0.887 -5.347 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.267 0.137 -6.835 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.982 1.467 -5.730 1.00 0.00 H new ATOM 0 HE ARG A 69 5.714 1.609 -6.287 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.713 1.610 -8.146 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.379 2.614 -9.439 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.562 2.897 -7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.550 3.340 -9.329 1.00 0.00 H new ATOM 1049 N HIS A 70 3.342 -0.858 -0.657 1.00 0.00 N ATOM 1050 CA HIS A 70 2.615 -0.634 0.588 1.00 0.00 C ATOM 1051 C HIS A 70 2.596 0.849 0.946 1.00 0.00 C ATOM 1052 O HIS A 70 3.201 1.267 1.933 1.00 0.00 O ATOM 1053 CB HIS A 70 3.249 -1.437 1.724 1.00 0.00 C ATOM 1054 CG HIS A 70 3.541 -2.860 1.362 1.00 0.00 C ATOM 1055 ND1 HIS A 70 4.669 -3.244 0.667 1.00 0.00 N ATOM 1056 CD2 HIS A 70 2.845 -3.996 1.603 1.00 0.00 C ATOM 1057 CE1 HIS A 70 4.653 -4.554 0.496 1.00 0.00 C ATOM 1058 NE2 HIS A 70 3.557 -5.034 1.055 1.00 0.00 N ATOM 0 H HIS A 70 4.331 -0.613 -0.618 1.00 0.00 H new ATOM 0 HA HIS A 70 1.587 -0.969 0.446 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.176 -0.951 2.028 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.582 -1.420 2.586 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.401 -2.615 0.337 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.905 -4.072 2.129 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.408 -5.134 -0.014 1.00 0.00 H new ATOM 1067 N SER A 71 1.897 1.639 0.137 1.00 0.00 N ATOM 1068 CA SER A 71 1.802 3.076 0.366 1.00 0.00 C ATOM 1069 C SER A 71 0.405 3.589 0.031 1.00 0.00 C ATOM 1070 O SER A 71 -0.276 3.045 -0.838 1.00 0.00 O ATOM 1071 CB SER A 71 2.844 3.817 -0.474 1.00 0.00 C ATOM 1072 OG SER A 71 2.661 5.220 -0.392 1.00 0.00 O ATOM 0 H SER A 71 1.388 1.308 -0.683 1.00 0.00 H new ATOM 0 HA SER A 71 1.995 3.264 1.422 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.845 3.557 -0.130 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.771 3.498 -1.514 1.00 0.00 H new ATOM 0 HG SER A 71 3.340 5.671 -0.936 1.00 0.00 H new ATOM 1078 N ALA A 72 -0.016 4.638 0.729 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.331 5.227 0.506 1.00 0.00 C ATOM 1080 C ALA A 72 -1.335 6.711 0.856 1.00 0.00 C ATOM 1081 O ALA A 72 -1.005 7.095 1.978 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.384 4.488 1.318 1.00 0.00 C ATOM 0 H ALA A 72 0.535 5.098 1.454 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.570 5.130 -0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.361 4.938 1.142 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.407 3.441 1.016 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.139 4.555 2.378 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.710 7.541 -0.111 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.758 8.984 0.095 1.00 0.00 C ATOM 1090 C VAL A 73 -3.136 9.542 -0.242 1.00 0.00 C ATOM 1091 O VAL A 73 -3.595 9.446 -1.381 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.700 9.708 -0.758 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.803 11.215 -0.572 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.696 9.215 -0.407 1.00 0.00 C ATOM 0 H VAL A 73 -1.985 7.239 -1.046 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.546 9.160 1.150 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.888 9.481 -1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.047 11.709 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.794 11.552 -0.877 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.642 11.464 0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.431 9.737 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.897 9.410 0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.762 8.144 -0.596 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.791 10.127 0.755 1.00 0.00 N ATOM 1105 CA LEU A 74 -5.118 10.703 0.565 1.00 0.00 C ATOM 1106 C LEU A 74 -5.038 12.218 0.414 1.00 0.00 C ATOM 1107 O LEU A 74 -4.346 12.892 1.177 1.00 0.00 O ATOM 1108 CB LEU A 74 -6.025 10.344 1.743 1.00 0.00 C ATOM 1109 CG LEU A 74 -6.165 8.853 2.052 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.215 8.043 0.766 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -5.020 8.381 2.937 1.00 0.00 C ATOM 0 H LEU A 74 -3.425 10.215 1.703 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.539 10.287 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.646 10.845 2.634 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -7.018 10.749 1.548 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.101 8.700 2.590 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.315 6.985 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.069 8.361 0.168 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.297 8.202 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -5.136 7.318 3.146 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.072 8.548 2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.030 8.938 3.874 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.751 12.748 -0.575 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.761 14.184 -0.826 1.00 0.00 C ATOM 1125 C ARG A 75 -7.159 14.761 -0.625 1.00 0.00 C ATOM 1126 O ARG A 75 -8.112 14.028 -0.361 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.275 14.479 -2.246 1.00 0.00 C ATOM 1128 CG ARG A 75 -3.766 14.392 -2.404 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.372 14.097 -3.843 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.781 12.758 -4.259 1.00 0.00 N ATOM 1131 CZ ARG A 75 -3.277 12.132 -5.317 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -2.351 12.720 -6.061 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -3.700 10.914 -5.632 1.00 0.00 N ATOM 0 H ARG A 75 -6.329 12.204 -1.215 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.085 14.657 -0.113 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.745 13.777 -2.935 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.605 15.477 -2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.311 15.330 -2.086 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.375 13.611 -1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.827 14.836 -4.502 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.292 14.196 -3.951 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.492 12.278 -3.708 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.023 13.656 -5.822 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.966 12.237 -6.873 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.412 10.458 -5.062 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.313 10.434 -6.444 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.273 16.078 -0.751 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.554 16.754 -0.584 1.00 0.00 C ATOM 1149 C ASP A 76 -9.081 16.576 0.837 1.00 0.00 C ATOM 1150 O ASP A 76 -10.290 16.486 1.055 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.573 16.218 -1.590 1.00 0.00 C ATOM 1152 CG ASP A 76 -9.563 16.991 -2.893 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -9.711 18.230 -2.849 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -9.407 16.358 -3.959 1.00 0.00 O ATOM 0 H ASP A 76 -6.494 16.699 -0.968 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.402 17.818 -0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.361 15.168 -1.792 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.570 16.263 -1.152 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.167 16.526 1.799 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.540 16.358 3.200 1.00 0.00 C ATOM 1161 C LEU A 77 -8.793 17.708 3.862 1.00 0.00 C ATOM 1162 O LEU A 77 -8.598 18.758 3.249 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.441 15.606 3.953 1.00 0.00 C ATOM 1164 CG LEU A 77 -6.924 14.330 3.289 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -5.971 13.593 4.217 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -8.084 13.429 2.888 1.00 0.00 C ATOM 0 H LEU A 77 -7.163 16.599 1.636 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.462 15.777 3.238 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.599 16.283 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.817 15.349 4.943 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.378 14.609 2.388 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.614 12.687 3.727 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.123 14.236 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.492 13.326 5.137 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.697 12.525 2.417 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.658 13.159 3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.729 13.957 2.185 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.227 17.674 5.118 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.507 18.895 5.863 1.00 0.00 C ATOM 1180 C ARG A 78 -8.289 19.326 6.676 1.00 0.00 C ATOM 1181 O ARG A 78 -7.233 18.698 6.611 1.00 0.00 O ATOM 1182 CB ARG A 78 -10.705 18.688 6.791 1.00 0.00 C ATOM 1183 CG ARG A 78 -12.032 18.582 6.057 1.00 0.00 C ATOM 1184 CD ARG A 78 -13.185 18.346 7.021 1.00 0.00 C ATOM 1185 NE ARG A 78 -14.438 18.907 6.524 1.00 0.00 N ATOM 1186 CZ ARG A 78 -15.144 18.367 5.536 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -14.721 17.259 4.944 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -16.275 18.937 5.139 1.00 0.00 N ATOM 0 H ARG A 78 -9.392 16.814 5.641 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.743 19.682 5.147 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -10.549 17.781 7.375 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.755 19.517 7.497 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.210 19.497 5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.986 17.766 5.336 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -13.307 17.275 7.185 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.947 18.791 7.987 1.00 0.00 H new ATOM 0 HE ARG A 78 -14.791 19.760 6.959 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -13.852 16.819 5.247 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.265 16.846 4.186 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.603 19.790 5.592 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.816 18.522 4.381 1.00 0.00 H new ATOM 1202 N SER A 79 -8.445 20.402 7.441 1.00 0.00 N ATOM 1203 CA SER A 79 -7.358 20.920 8.263 1.00 0.00 C ATOM 1204 C SER A 79 -7.499 20.452 9.708 1.00 0.00 C ATOM 1205 O SER A 79 -8.579 20.520 10.292 1.00 0.00 O ATOM 1206 CB SER A 79 -7.334 22.449 8.210 1.00 0.00 C ATOM 1207 OG SER A 79 -8.533 22.996 8.732 1.00 0.00 O ATOM 0 H SER A 79 -9.314 20.932 7.508 1.00 0.00 H new ATOM 0 HA SER A 79 -6.419 20.535 7.865 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.482 22.822 8.779 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.199 22.778 7.180 1.00 0.00 H new ATOM 0 HG SER A 79 -8.492 23.974 8.689 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.397 19.975 10.279 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.417 19.501 11.650 1.00 0.00 C ATOM 1215 C GLY A 80 -7.637 18.653 11.953 1.00 0.00 C ATOM 1216 O GLY A 80 -8.359 18.910 12.916 1.00 0.00 O ATOM 0 H GLY A 80 -5.491 19.909 9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.516 18.918 11.843 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.395 20.355 12.327 1.00 0.00 H new ATOM 1220 N THR A 81 -7.869 17.637 11.126 1.00 0.00 N ATOM 1221 CA THR A 81 -9.010 16.750 11.308 1.00 0.00 C ATOM 1222 C THR A 81 -8.568 15.292 11.375 1.00 0.00 C ATOM 1223 O THR A 81 -7.703 14.860 10.612 1.00 0.00 O ATOM 1224 CB THR A 81 -10.035 16.912 10.169 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.209 18.299 9.861 1.00 0.00 O ATOM 1226 CG2 THR A 81 -11.373 16.301 10.554 1.00 0.00 C ATOM 0 H THR A 81 -7.281 17.409 10.324 1.00 0.00 H new ATOM 0 HA THR A 81 -9.479 17.028 12.252 1.00 0.00 H new ATOM 0 HB THR A 81 -9.655 16.390 9.291 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.120 18.449 9.533 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.080 16.428 9.734 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.242 15.239 10.759 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.757 16.798 11.445 1.00 0.00 H new ATOM 1234 N LEU A 82 -9.168 14.539 12.290 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.836 13.128 12.455 1.00 0.00 C ATOM 1236 C LEU A 82 -9.607 12.267 11.460 1.00 0.00 C ATOM 1237 O LEU A 82 -10.838 12.270 11.444 1.00 0.00 O ATOM 1238 CB LEU A 82 -9.143 12.676 13.884 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.543 11.335 14.308 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -9.043 10.217 13.407 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -7.022 11.401 14.285 1.00 0.00 C ATOM 0 H LEU A 82 -9.886 14.881 12.928 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.770 13.006 12.263 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.787 13.444 14.571 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.225 12.620 14.001 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.863 11.122 15.328 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.605 9.271 13.724 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.129 10.155 13.473 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.754 10.423 12.377 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.611 10.438 14.589 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.683 11.637 13.276 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.681 12.175 14.973 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.876 11.528 10.634 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.491 10.662 9.635 1.00 0.00 C ATOM 1255 C TYR A 83 -9.317 9.192 10.008 1.00 0.00 C ATOM 1256 O TYR A 83 -8.297 8.801 10.575 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.883 10.925 8.257 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.564 12.042 7.498 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -9.187 13.366 7.683 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -10.584 11.772 6.594 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -9.807 14.389 6.993 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -11.209 12.788 5.898 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.818 14.095 6.101 1.00 0.00 C ATOM 1264 OH TYR A 83 -11.437 15.111 5.410 1.00 0.00 O ATOM 0 H TYR A 83 -7.856 11.511 10.636 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.557 10.887 9.603 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.827 11.168 8.375 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.935 10.011 7.666 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.395 13.600 8.379 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.893 10.750 6.433 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.502 15.413 7.151 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -12.000 12.560 5.198 1.00 0.00 H new ATOM 0 HH TYR A 83 -12.125 14.735 4.822 1.00 0.00 H new ATOM 1274 N SER A 84 -10.321 8.384 9.683 1.00 0.00 N ATOM 1275 CA SER A 84 -10.282 6.958 9.985 1.00 0.00 C ATOM 1276 C SER A 84 -9.867 6.153 8.757 1.00 0.00 C ATOM 1277 O SER A 84 -10.666 5.935 7.845 1.00 0.00 O ATOM 1278 CB SER A 84 -11.648 6.483 10.483 1.00 0.00 C ATOM 1279 OG SER A 84 -11.665 5.078 10.664 1.00 0.00 O ATOM 0 H SER A 84 -11.171 8.692 9.211 1.00 0.00 H new ATOM 0 HA SER A 84 -9.542 6.798 10.769 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.887 6.977 11.425 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.419 6.770 9.768 1.00 0.00 H new ATOM 0 HG SER A 84 -12.549 4.800 10.984 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.613 5.714 8.741 1.00 0.00 N ATOM 1286 CA LEU A 85 -8.091 4.933 7.625 1.00 0.00 C ATOM 1287 C LEU A 85 -8.055 3.448 7.970 1.00 0.00 C ATOM 1288 O LEU A 85 -7.729 3.067 9.096 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.688 5.416 7.252 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.405 6.900 7.486 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.918 7.131 7.709 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.905 7.730 6.313 1.00 0.00 C ATOM 0 H LEU A 85 -7.939 5.885 9.488 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.756 5.073 6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.962 4.834 7.820 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.518 5.196 6.198 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.940 7.215 8.382 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.735 8.193 7.874 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.589 6.567 8.581 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.363 6.799 6.832 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.695 8.784 6.497 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.399 7.413 5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.980 7.589 6.199 1.00 0.00 H new ATOM 1304 N THR A 86 -8.390 2.610 6.994 1.00 0.00 N ATOM 1305 CA THR A 86 -8.395 1.166 7.193 1.00 0.00 C ATOM 1306 C THR A 86 -8.033 0.432 5.907 1.00 0.00 C ATOM 1307 O THR A 86 -8.787 0.455 4.934 1.00 0.00 O ATOM 1308 CB THR A 86 -9.768 0.672 7.684 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.196 1.449 8.807 1.00 0.00 O ATOM 1310 CG2 THR A 86 -9.708 -0.798 8.071 1.00 0.00 C ATOM 0 H THR A 86 -8.662 2.907 6.057 1.00 0.00 H new ATOM 0 HA THR A 86 -7.646 0.949 7.954 1.00 0.00 H new ATOM 0 HB THR A 86 -10.483 0.788 6.869 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.071 1.129 9.112 1.00 0.00 H new ATOM 0 HG21 THR A 86 -10.690 -1.124 8.415 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.411 -1.390 7.205 1.00 0.00 H new ATOM 0 HG23 THR A 86 -8.980 -0.934 8.871 1.00 0.00 H new ATOM 1318 N LEU A 87 -6.874 -0.218 5.909 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.412 -0.961 4.741 1.00 0.00 C ATOM 1320 C LEU A 87 -6.972 -2.380 4.741 1.00 0.00 C ATOM 1321 O LEU A 87 -7.300 -2.929 5.794 1.00 0.00 O ATOM 1322 CB LEU A 87 -4.883 -1.004 4.712 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.249 -1.451 3.395 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.173 -0.289 2.417 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.866 -2.036 3.640 1.00 0.00 C ATOM 0 H LEU A 87 -6.237 -0.246 6.706 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.772 -0.448 3.849 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.507 -0.010 4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.543 -1.674 5.502 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.877 -2.227 2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.719 -0.627 1.485 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.177 0.084 2.217 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.568 0.509 2.847 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.430 -2.349 2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.228 -1.282 4.101 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.947 -2.897 4.303 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.077 -2.968 3.555 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.598 -4.323 3.418 1.00 0.00 C ATOM 1339 C TYR A 88 -6.683 -5.172 2.541 1.00 0.00 C ATOM 1340 O TYR A 88 -6.608 -4.974 1.329 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.008 -4.293 2.825 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.042 -3.697 3.753 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.472 -4.384 4.881 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.589 -2.444 3.502 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.417 -3.843 5.731 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.534 -1.895 4.347 1.00 0.00 C ATOM 1347 CZ TYR A 88 -11.945 -2.598 5.460 1.00 0.00 C ATOM 1348 OH TYR A 88 -12.885 -2.055 6.304 1.00 0.00 O ATOM 0 H TYR A 88 -6.808 -2.528 2.675 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.639 -4.771 4.411 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.991 -3.720 1.898 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.306 -5.309 2.567 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.060 -5.359 5.097 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.270 -1.890 2.631 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.741 -4.392 6.603 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.949 -0.920 4.137 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.153 -1.173 5.971 1.00 0.00 H new ATOM 1358 N GLY A 89 -5.989 -6.120 3.163 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.089 -6.986 2.425 1.00 0.00 C ATOM 1360 C GLY A 89 -5.827 -7.983 1.553 1.00 0.00 C ATOM 1361 O GLY A 89 -5.957 -9.155 1.910 1.00 0.00 O ATOM 0 H GLY A 89 -6.034 -6.304 4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.434 -6.377 1.801 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.451 -7.524 3.126 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.314 -7.518 0.408 1.00 0.00 N ATOM 1366 CA LEU A 90 -7.046 -8.376 -0.517 1.00 0.00 C ATOM 1367 C LEU A 90 -6.164 -9.517 -1.014 1.00 0.00 C ATOM 1368 O LEU A 90 -5.201 -9.296 -1.748 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.559 -7.559 -1.704 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.869 -6.802 -1.481 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -10.033 -7.773 -1.359 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.773 -5.923 -0.243 1.00 0.00 C ATOM 0 H LEU A 90 -6.215 -6.551 0.098 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.895 -8.803 0.016 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.790 -6.839 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.691 -8.231 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.047 -6.161 -2.344 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.956 -7.216 -1.201 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.115 -8.359 -2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.863 -8.441 -0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.714 -5.392 -0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.571 -6.544 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.965 -5.202 -0.370 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.501 -10.738 -0.611 1.00 0.00 N ATOM 1385 CA ARG A 91 -5.741 -11.914 -1.016 1.00 0.00 C ATOM 1386 C ARG A 91 -6.379 -12.582 -2.230 1.00 0.00 C ATOM 1387 O ARG A 91 -6.044 -13.714 -2.576 1.00 0.00 O ATOM 1388 CB ARG A 91 -5.650 -12.912 0.140 1.00 0.00 C ATOM 1389 CG ARG A 91 -4.551 -13.947 -0.035 1.00 0.00 C ATOM 1390 CD ARG A 91 -4.798 -15.173 0.831 1.00 0.00 C ATOM 1391 NE ARG A 91 -4.249 -15.014 2.175 1.00 0.00 N ATOM 1392 CZ ARG A 91 -4.465 -15.873 3.164 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -5.216 -16.947 2.961 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -3.930 -15.659 4.359 1.00 0.00 N ATOM 0 H ARG A 91 -7.296 -10.938 -0.004 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.736 -11.590 -1.287 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -5.479 -12.366 1.068 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -6.607 -13.424 0.243 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -4.494 -14.245 -1.082 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -3.589 -13.505 0.224 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.870 -15.360 0.897 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -4.351 -16.047 0.358 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.667 -14.198 2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -5.629 -17.114 2.044 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -5.381 -17.606 3.722 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -3.352 -14.834 4.519 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -4.097 -16.320 5.118 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.302 -11.872 -2.874 1.00 0.00 N ATOM 1409 CA GLY A 92 -7.973 -12.413 -4.041 1.00 0.00 C ATOM 1410 C GLY A 92 -9.340 -11.797 -4.261 1.00 0.00 C ATOM 1411 O GLY A 92 -9.486 -10.580 -4.374 1.00 0.00 O ATOM 0 H GLY A 92 -7.596 -10.932 -2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.355 -12.243 -4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.078 -13.492 -3.928 1.00 0.00 H new ATOM 1415 N PRO A 93 -10.374 -12.650 -4.326 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.755 -12.205 -4.535 1.00 0.00 C ATOM 1417 C PRO A 93 -12.315 -11.465 -3.326 1.00 0.00 C ATOM 1418 O PRO A 93 -13.110 -10.535 -3.468 1.00 0.00 O ATOM 1419 CB PRO A 93 -12.518 -13.513 -4.763 1.00 0.00 C ATOM 1420 CG PRO A 93 -11.707 -14.551 -4.067 1.00 0.00 C ATOM 1421 CD PRO A 93 -10.274 -14.114 -4.199 1.00 0.00 C ATOM 0 HA PRO A 93 -11.835 -11.499 -5.362 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.527 -13.459 -4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.616 -13.734 -5.826 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -11.995 -14.633 -3.019 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -11.859 -15.532 -4.517 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.684 -14.402 -3.329 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.796 -14.561 -5.071 1.00 0.00 H new ATOM 1429 N HIS A 94 -11.896 -11.883 -2.136 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.356 -11.257 -0.901 1.00 0.00 C ATOM 1431 C HIS A 94 -11.174 -10.799 -0.051 1.00 0.00 C ATOM 1432 O HIS A 94 -10.058 -11.294 -0.203 1.00 0.00 O ATOM 1433 CB HIS A 94 -13.224 -12.231 -0.104 1.00 0.00 C ATOM 1434 CG HIS A 94 -14.630 -12.334 -0.612 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -15.730 -11.988 0.144 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -15.111 -12.747 -1.808 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -16.827 -12.184 -0.565 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -16.479 -12.644 -1.754 1.00 0.00 N ATOM 0 H HIS A 94 -11.239 -12.652 -2.000 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.951 -10.383 -1.165 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -12.764 -13.219 -0.129 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -13.245 -11.916 0.939 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -14.527 -13.093 -2.648 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -17.837 -12.000 -0.230 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -17.122 -12.884 -2.509 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.428 -9.848 0.842 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.386 -9.322 1.717 1.00 0.00 C ATOM 1449 C LYS A 95 -9.995 -10.348 2.775 1.00 0.00 C ATOM 1450 O LYS A 95 -10.854 -11.004 3.365 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.861 -8.033 2.391 1.00 0.00 C ATOM 1452 CG LYS A 95 -12.155 -8.195 3.170 1.00 0.00 C ATOM 1453 CD LYS A 95 -12.688 -6.856 3.652 1.00 0.00 C ATOM 1454 CE LYS A 95 -13.331 -6.072 2.518 1.00 0.00 C ATOM 1455 NZ LYS A 95 -13.713 -4.697 2.942 1.00 0.00 N ATOM 0 H LYS A 95 -12.346 -9.426 0.979 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.509 -9.104 1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -10.082 -7.678 3.066 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.998 -7.265 1.630 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.901 -8.679 2.540 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.986 -8.849 4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.419 -7.018 4.444 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.874 -6.273 4.083 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -12.639 -6.014 1.678 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -14.216 -6.602 2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.628 -4.048 2.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.696 -4.699 3.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.083 -4.382 3.707 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.694 -10.481 3.012 1.00 0.00 N ATOM 1470 CA ALA A 96 -8.190 -11.425 4.002 1.00 0.00 C ATOM 1471 C ALA A 96 -8.035 -10.759 5.365 1.00 0.00 C ATOM 1472 O ALA A 96 -8.636 -11.190 6.349 1.00 0.00 O ATOM 1473 CB ALA A 96 -6.863 -12.011 3.544 1.00 0.00 C ATOM 0 H ALA A 96 -7.970 -9.947 2.532 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.916 -12.232 4.102 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.498 -12.714 4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.002 -12.530 2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.136 -11.209 3.415 1.00 0.00 H new ATOM 1479 N ASP A 97 -7.225 -9.708 5.416 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.990 -8.982 6.659 1.00 0.00 C ATOM 1481 C ASP A 97 -7.394 -7.518 6.518 1.00 0.00 C ATOM 1482 O ASP A 97 -7.750 -7.064 5.431 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.519 -9.081 7.063 1.00 0.00 C ATOM 1484 CG ASP A 97 -4.685 -7.949 6.496 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -4.845 -7.637 5.298 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -3.873 -7.374 7.251 1.00 0.00 O ATOM 0 H ASP A 97 -6.719 -9.339 4.611 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.603 -9.436 7.437 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.443 -9.075 8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.114 -10.033 6.720 1.00 0.00 H new ATOM 1491 N SER A 98 -7.338 -6.784 7.625 1.00 0.00 N ATOM 1492 CA SER A 98 -7.703 -5.373 7.626 1.00 0.00 C ATOM 1493 C SER A 98 -7.105 -4.658 8.835 1.00 0.00 C ATOM 1494 O SER A 98 -7.361 -5.032 9.980 1.00 0.00 O ATOM 1495 CB SER A 98 -9.225 -5.217 7.629 1.00 0.00 C ATOM 1496 OG SER A 98 -9.737 -5.240 8.950 1.00 0.00 O ATOM 0 H SER A 98 -7.043 -7.144 8.533 1.00 0.00 H new ATOM 0 HA SER A 98 -7.300 -4.919 6.721 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.499 -4.279 7.146 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.677 -6.020 7.046 1.00 0.00 H new ATOM 0 HG SER A 98 -9.036 -5.538 9.567 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.308 -3.628 8.571 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.675 -2.860 9.636 1.00 0.00 C ATOM 1504 C ILE A 99 -6.321 -1.486 9.781 1.00 0.00 C ATOM 1505 O ILE A 99 -6.857 -0.937 8.819 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.167 -2.682 9.381 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.492 -2.055 10.602 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -3.936 -1.827 8.144 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -2.033 -2.427 10.744 1.00 0.00 C ATOM 0 H ILE A 99 -6.085 -3.306 7.629 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.815 -3.424 10.558 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.724 -3.663 9.208 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.577 -0.970 10.537 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.026 -2.363 11.501 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.865 -1.710 7.977 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.388 -2.311 7.278 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.389 -0.847 8.290 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.620 -1.947 11.631 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -1.941 -3.509 10.841 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.485 -2.094 9.862 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.263 -0.937 10.990 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.842 0.374 11.261 1.00 0.00 C ATOM 1523 C GLN A 100 -5.755 1.391 11.593 1.00 0.00 C ATOM 1524 O GLN A 100 -5.059 1.264 12.600 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.843 0.285 12.414 1.00 0.00 C ATOM 1526 CG GLN A 100 -9.201 -0.258 12.001 1.00 0.00 C ATOM 1527 CD GLN A 100 -10.004 -0.779 13.176 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -9.470 -0.977 14.268 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -11.294 -1.006 12.958 1.00 0.00 N ATOM 0 H GLN A 100 -5.822 -1.379 11.797 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.362 0.706 10.363 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.429 -0.352 13.195 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.974 1.276 12.847 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.766 0.529 11.501 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.062 -1.061 11.277 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -11.695 -0.828 12.037 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.884 -1.359 13.711 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.614 2.399 10.738 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.609 3.423 10.958 1.00 0.00 C ATOM 1540 C GLY A 101 -5.208 4.812 11.059 1.00 0.00 C ATOM 1541 O GLY A 101 -5.848 5.290 10.121 1.00 0.00 O ATOM 0 H GLY A 101 -6.177 2.525 9.897 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -4.062 3.199 11.874 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.887 3.401 10.142 1.00 0.00 H new ATOM 1545 N THR A 102 -5.002 5.463 12.199 1.00 0.00 N ATOM 1546 CA THR A 102 -5.529 6.803 12.420 1.00 0.00 C ATOM 1547 C THR A 102 -4.426 7.851 12.319 1.00 0.00 C ATOM 1548 O THR A 102 -3.290 7.612 12.727 1.00 0.00 O ATOM 1549 CB THR A 102 -6.207 6.921 13.798 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.359 6.368 14.811 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.548 6.201 13.804 1.00 0.00 C ATOM 0 H THR A 102 -4.473 5.083 12.984 1.00 0.00 H new ATOM 0 HA THR A 102 -6.271 6.982 11.642 1.00 0.00 H new ATOM 0 HB THR A 102 -6.378 7.977 14.005 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.797 6.449 15.684 1.00 0.00 H new ATOM 0 HG21 THR A 102 -8.008 6.298 14.787 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.202 6.643 13.052 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.395 5.146 13.577 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.769 9.013 11.772 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.808 10.098 11.620 1.00 0.00 C ATOM 1561 C ALA A 103 -4.509 11.452 11.594 1.00 0.00 C ATOM 1562 O ALA A 103 -5.596 11.588 11.032 1.00 0.00 O ATOM 1563 CB ALA A 103 -2.987 9.902 10.354 1.00 0.00 C ATOM 0 H ALA A 103 -5.705 9.227 11.427 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.139 10.081 12.480 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.273 10.720 10.253 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.449 8.956 10.412 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.650 9.890 9.489 1.00 0.00 H new ATOM 1569 N ARG A 104 -3.880 12.451 12.205 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.445 13.794 12.253 1.00 0.00 C ATOM 1571 C ARG A 104 -3.684 14.737 11.325 1.00 0.00 C ATOM 1572 O ARG A 104 -2.485 14.961 11.496 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.412 14.333 13.684 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.383 15.477 13.926 1.00 0.00 C ATOM 1575 CD ARG A 104 -5.439 15.859 15.397 1.00 0.00 C ATOM 1576 NE ARG A 104 -4.437 16.864 15.740 1.00 0.00 N ATOM 1577 CZ ARG A 104 -4.228 17.302 16.977 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -4.948 16.825 17.983 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -3.297 18.219 17.209 1.00 0.00 N ATOM 0 H ARG A 104 -2.979 12.355 12.674 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.480 13.738 11.917 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.641 13.521 14.374 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.401 14.671 13.913 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.082 16.342 13.336 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.378 15.189 13.586 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.432 16.241 15.635 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -5.285 14.970 16.008 1.00 0.00 H new ATOM 0 HE ARG A 104 -3.866 17.251 14.989 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -5.664 16.120 17.808 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -4.786 17.163 18.932 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -2.741 18.588 16.437 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -3.137 18.555 18.159 1.00 0.00 H new ATOM 1593 N THR A 105 -4.389 15.288 10.342 1.00 0.00 N ATOM 1594 CA THR A 105 -3.781 16.206 9.386 1.00 0.00 C ATOM 1595 C THR A 105 -3.276 17.466 10.079 1.00 0.00 C ATOM 1596 O THR A 105 -3.547 17.689 11.260 1.00 0.00 O ATOM 1597 CB THR A 105 -4.775 16.604 8.280 1.00 0.00 C ATOM 1598 OG1 THR A 105 -6.034 16.964 8.859 1.00 0.00 O ATOM 1599 CG2 THR A 105 -4.972 15.464 7.292 1.00 0.00 C ATOM 0 H THR A 105 -5.382 15.115 10.187 1.00 0.00 H new ATOM 0 HA THR A 105 -2.939 15.681 8.935 1.00 0.00 H new ATOM 0 HB THR A 105 -4.364 17.460 7.744 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.517 17.558 8.248 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.678 15.769 6.520 1.00 0.00 H new ATOM 0 HG22 THR A 105 -4.017 15.213 6.831 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.362 14.592 7.816 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.543 18.290 9.338 1.00 0.00 N ATOM 1608 CA LEU A 106 -2.001 19.530 9.881 1.00 0.00 C ATOM 1609 C LEU A 106 -2.902 20.713 9.542 1.00 0.00 C ATOM 1610 O LEU A 106 -3.521 20.749 8.479 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.592 19.775 9.338 1.00 0.00 C ATOM 1612 CG LEU A 106 0.476 18.766 9.760 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.849 19.210 9.283 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.468 18.581 11.271 1.00 0.00 C ATOM 0 H LEU A 106 -2.311 18.121 8.359 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.954 19.432 10.966 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.641 19.787 8.249 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.270 20.767 9.654 1.00 0.00 H new ATOM 0 HG LEU A 106 0.246 17.807 9.295 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.596 18.479 9.593 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.848 19.289 8.196 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.089 20.180 9.718 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.235 17.859 11.553 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.672 19.536 11.756 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.509 18.215 11.588 1.00 0.00 H new ATOM 1626 N SER A 107 -2.969 21.680 10.452 1.00 0.00 N ATOM 1627 CA SER A 107 -3.796 22.864 10.250 1.00 0.00 C ATOM 1628 C SER A 107 -3.236 23.732 9.128 1.00 0.00 C ATOM 1629 O SER A 107 -3.986 24.310 8.342 1.00 0.00 O ATOM 1630 CB SER A 107 -3.884 23.676 11.543 1.00 0.00 C ATOM 1631 OG SER A 107 -4.758 24.782 11.392 1.00 0.00 O ATOM 0 H SER A 107 -2.461 21.667 11.336 1.00 0.00 H new ATOM 0 HA SER A 107 -4.796 22.535 9.967 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.236 23.038 12.354 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.891 24.028 11.823 1.00 0.00 H new ATOM 0 HG SER A 107 -4.798 25.284 12.233 1.00 0.00 H new