USER MOD reduce.3.24.130724 H: found=0, std=0, add=642, rem=0, adj=23 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 21 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 24 SER OG : rot 180:sc= -1.03 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -64:sc= 1.16 USER MOD Single : A 28 ASN : amide:sc= -1.84 X(o=-1.8,f=-1.9) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -160:sc= -3.75! (180deg=-5.19!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -3.93 K(o=-3.9,f=-4.7!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -126:sc= 0.0405 USER MOD Single : A 81 THR OG1 : rot 14:sc= 0.108 USER MOD Single : A 83 TYR OH : rot 180:sc= 0.646 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -1.76! K(o=-1.8!,f=-0.69) USER MOD Single : A 95 LYS NZ :NH3+ 163:sc= -0.0514 (180deg=-0.364) USER MOD Single : A 98 SER OG : rot 15:sc= 0.416! USER MOD Single : A 100 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.012 USER MOD Single : A 105 THR OG1 : rot 169:sc= 1.49 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 115 N ARG A 11 -0.720 -11.361 7.935 1.00 0.00 N ATOM 116 CA ARG A 11 -1.400 -10.201 8.500 1.00 0.00 C ATOM 117 C ARG A 11 -0.624 -8.920 8.205 1.00 0.00 C ATOM 118 O ARG A 11 0.554 -8.963 7.849 1.00 0.00 O ATOM 119 CB ARG A 11 -1.572 -10.370 10.010 1.00 0.00 C ATOM 120 CG ARG A 11 -2.696 -11.318 10.393 1.00 0.00 C ATOM 121 CD ARG A 11 -4.040 -10.607 10.420 1.00 0.00 C ATOM 122 NE ARG A 11 -5.055 -11.382 11.128 1.00 0.00 N ATOM 123 CZ ARG A 11 -5.083 -11.525 12.448 1.00 0.00 C ATOM 124 NH1 ARG A 11 -4.155 -10.949 13.200 1.00 0.00 N ATOM 125 NH2 ARG A 11 -6.039 -12.247 13.019 1.00 0.00 N ATOM 0 HA ARG A 11 -2.383 -10.125 8.036 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -0.638 -10.738 10.435 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.763 -9.394 10.457 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -2.734 -12.144 9.683 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -2.492 -11.749 11.373 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.926 -9.635 10.900 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.373 -10.422 9.399 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.783 -11.839 10.578 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.418 -10.395 12.765 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.179 -11.060 14.214 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.754 -12.693 12.444 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.059 -12.356 14.033 1.00 0.00 H new ATOM 139 N LEU A 12 -1.293 -7.782 8.355 1.00 0.00 N ATOM 140 CA LEU A 12 -0.668 -6.488 8.105 1.00 0.00 C ATOM 141 C LEU A 12 0.156 -6.040 9.308 1.00 0.00 C ATOM 142 O LEU A 12 -0.028 -6.537 10.419 1.00 0.00 O ATOM 143 CB LEU A 12 -1.732 -5.439 7.782 1.00 0.00 C ATOM 144 CG LEU A 12 -2.211 -5.393 6.330 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.635 -4.866 6.254 1.00 0.00 C ATOM 146 CD2 LEU A 12 -1.277 -4.536 5.487 1.00 0.00 C ATOM 0 H LEU A 12 -2.268 -7.729 8.649 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.001 -6.594 7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.595 -5.617 8.423 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.337 -4.457 8.045 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.199 -6.407 5.932 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.958 -4.840 5.213 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.296 -5.520 6.823 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.673 -3.859 6.671 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.633 -4.515 4.457 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.256 -3.521 5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.272 -4.958 5.515 1.00 0.00 H new ATOM 158 N SER A 13 1.062 -5.095 9.080 1.00 0.00 N ATOM 159 CA SER A 13 1.915 -4.580 10.145 1.00 0.00 C ATOM 160 C SER A 13 1.413 -3.225 10.635 1.00 0.00 C ATOM 161 O SER A 13 0.427 -2.695 10.124 1.00 0.00 O ATOM 162 CB SER A 13 3.359 -4.455 9.655 1.00 0.00 C ATOM 163 OG SER A 13 4.276 -4.626 10.722 1.00 0.00 O ATOM 0 H SER A 13 1.225 -4.670 8.167 1.00 0.00 H new ATOM 0 HA SER A 13 1.881 -5.283 10.977 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.550 -5.201 8.884 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.508 -3.477 9.197 1.00 0.00 H new ATOM 0 HG SER A 13 5.192 -4.543 10.383 1.00 0.00 H new ATOM 169 N GLN A 14 2.100 -2.671 11.628 1.00 0.00 N ATOM 170 CA GLN A 14 1.725 -1.378 12.188 1.00 0.00 C ATOM 171 C GLN A 14 1.651 -0.313 11.099 1.00 0.00 C ATOM 172 O GLN A 14 2.672 0.089 10.540 1.00 0.00 O ATOM 173 CB GLN A 14 2.725 -0.954 13.265 1.00 0.00 C ATOM 174 CG GLN A 14 4.161 -0.891 12.770 1.00 0.00 C ATOM 175 CD GLN A 14 5.157 -0.680 13.893 1.00 0.00 C ATOM 176 OE1 GLN A 14 4.994 0.215 14.723 1.00 0.00 O ATOM 177 NE2 GLN A 14 6.197 -1.505 13.925 1.00 0.00 N ATOM 0 H GLN A 14 2.919 -3.097 12.061 1.00 0.00 H new ATOM 0 HA GLN A 14 0.738 -1.480 12.639 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.439 0.025 13.650 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.667 -1.654 14.099 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.401 -1.816 12.245 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.257 -0.081 12.047 1.00 0.00 H new ATOM 0 HE21 GLN A 14 6.293 -2.233 13.217 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.900 -1.411 14.658 1.00 0.00 H new ATOM 186 N LEU A 15 0.438 0.139 10.801 1.00 0.00 N ATOM 187 CA LEU A 15 0.231 1.157 9.778 1.00 0.00 C ATOM 188 C LEU A 15 0.408 2.557 10.358 1.00 0.00 C ATOM 189 O LEU A 15 -0.467 3.065 11.058 1.00 0.00 O ATOM 190 CB LEU A 15 -1.165 1.019 9.168 1.00 0.00 C ATOM 191 CG LEU A 15 -1.602 2.144 8.229 1.00 0.00 C ATOM 192 CD1 LEU A 15 -0.760 2.140 6.962 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.080 2.012 7.890 1.00 0.00 C ATOM 0 H LEU A 15 -0.417 -0.184 11.254 1.00 0.00 H new ATOM 0 HA LEU A 15 0.978 1.010 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.209 0.078 8.620 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.889 0.949 9.980 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.450 3.096 8.738 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.086 2.947 6.306 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.289 2.284 7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.879 1.186 6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.373 2.821 7.221 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.257 1.054 7.401 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.669 2.066 8.805 1.00 0.00 H new ATOM 205 N SER A 16 1.546 3.176 10.060 1.00 0.00 N ATOM 206 CA SER A 16 1.840 4.516 10.554 1.00 0.00 C ATOM 207 C SER A 16 1.642 5.555 9.454 1.00 0.00 C ATOM 208 O SER A 16 1.615 5.224 8.269 1.00 0.00 O ATOM 209 CB SER A 16 3.273 4.585 11.085 1.00 0.00 C ATOM 210 OG SER A 16 3.424 3.791 12.249 1.00 0.00 O ATOM 0 H SER A 16 2.280 2.771 9.479 1.00 0.00 H new ATOM 0 HA SER A 16 1.149 4.736 11.368 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.966 4.244 10.316 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.531 5.620 11.311 1.00 0.00 H new ATOM 0 HG SER A 16 4.349 3.851 12.568 1.00 0.00 H new ATOM 216 N VAL A 17 1.504 6.814 9.856 1.00 0.00 N ATOM 217 CA VAL A 17 1.311 7.903 8.907 1.00 0.00 C ATOM 218 C VAL A 17 2.440 8.923 9.002 1.00 0.00 C ATOM 219 O VAL A 17 2.672 9.513 10.058 1.00 0.00 O ATOM 220 CB VAL A 17 -0.034 8.619 9.140 1.00 0.00 C ATOM 221 CG1 VAL A 17 -0.195 9.781 8.171 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.189 7.638 9.006 1.00 0.00 C ATOM 0 H VAL A 17 1.522 7.105 10.833 1.00 0.00 H new ATOM 0 HA VAL A 17 1.310 7.458 7.912 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.043 9.019 10.154 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.150 10.275 8.350 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.616 10.494 8.320 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.166 9.408 7.147 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.131 8.160 9.174 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.186 7.207 8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.079 6.843 9.744 1.00 0.00 H new ATOM 232 N THR A 18 3.141 9.128 7.891 1.00 0.00 N ATOM 233 CA THR A 18 4.246 10.076 7.849 1.00 0.00 C ATOM 234 C THR A 18 3.976 11.192 6.846 1.00 0.00 C ATOM 235 O THR A 18 3.087 11.079 6.001 1.00 0.00 O ATOM 236 CB THR A 18 5.570 9.380 7.480 1.00 0.00 C ATOM 237 OG1 THR A 18 5.663 9.225 6.059 1.00 0.00 O ATOM 238 CG2 THR A 18 5.670 8.018 8.151 1.00 0.00 C ATOM 0 H THR A 18 2.962 8.649 7.008 1.00 0.00 H new ATOM 0 HA THR A 18 4.334 10.502 8.848 1.00 0.00 H new ATOM 0 HB THR A 18 6.393 10.003 7.832 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.508 8.783 5.833 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.613 7.545 7.876 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.628 8.142 9.233 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.841 7.390 7.825 1.00 0.00 H new ATOM 246 N ASP A 19 4.748 12.269 6.943 1.00 0.00 N ATOM 247 CA ASP A 19 4.592 13.405 6.042 1.00 0.00 C ATOM 248 C ASP A 19 3.186 13.987 6.140 1.00 0.00 C ATOM 249 O ASP A 19 2.623 14.449 5.147 1.00 0.00 O ATOM 250 CB ASP A 19 4.885 12.984 4.601 1.00 0.00 C ATOM 251 CG ASP A 19 6.354 13.111 4.248 1.00 0.00 C ATOM 252 OD1 ASP A 19 7.173 12.380 4.843 1.00 0.00 O ATOM 253 OD2 ASP A 19 6.684 13.941 3.375 1.00 0.00 O ATOM 0 H ASP A 19 5.488 12.379 7.636 1.00 0.00 H new ATOM 0 HA ASP A 19 5.305 14.174 6.339 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.567 11.952 4.455 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.296 13.598 3.919 1.00 0.00 H new ATOM 258 N VAL A 20 2.622 13.961 7.344 1.00 0.00 N ATOM 259 CA VAL A 20 1.281 14.486 7.572 1.00 0.00 C ATOM 260 C VAL A 20 1.111 15.857 6.926 1.00 0.00 C ATOM 261 O VAL A 20 1.593 16.865 7.444 1.00 0.00 O ATOM 262 CB VAL A 20 0.970 14.598 9.076 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.498 14.931 9.295 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.346 13.310 9.794 1.00 0.00 C ATOM 0 H VAL A 20 3.073 13.582 8.176 1.00 0.00 H new ATOM 0 HA VAL A 20 0.584 13.783 7.116 1.00 0.00 H new ATOM 0 HB VAL A 20 1.567 15.408 9.494 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.699 15.006 10.364 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.731 15.881 8.814 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.118 14.145 8.864 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.120 13.406 10.856 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.776 12.480 9.375 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.412 13.120 9.666 1.00 0.00 H new ATOM 274 N THR A 21 0.421 15.888 5.790 1.00 0.00 N ATOM 275 CA THR A 21 0.186 17.134 5.072 1.00 0.00 C ATOM 276 C THR A 21 -1.016 17.879 5.640 1.00 0.00 C ATOM 277 O THR A 21 -1.842 17.299 6.346 1.00 0.00 O ATOM 278 CB THR A 21 -0.043 16.883 3.569 1.00 0.00 C ATOM 279 OG1 THR A 21 0.724 15.753 3.139 1.00 0.00 O ATOM 280 CG2 THR A 21 0.343 18.105 2.751 1.00 0.00 C ATOM 0 H THR A 21 0.015 15.064 5.347 1.00 0.00 H new ATOM 0 HA THR A 21 1.080 17.744 5.199 1.00 0.00 H new ATOM 0 HB THR A 21 -1.103 16.682 3.414 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.572 15.599 2.183 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.173 17.904 1.693 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.263 18.956 3.061 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.397 18.332 2.912 1.00 0.00 H new ATOM 288 N THR A 22 -1.111 19.168 5.328 1.00 0.00 N ATOM 289 CA THR A 22 -2.213 19.992 5.808 1.00 0.00 C ATOM 290 C THR A 22 -3.559 19.360 5.473 1.00 0.00 C ATOM 291 O THR A 22 -4.454 19.300 6.315 1.00 0.00 O ATOM 292 CB THR A 22 -2.159 21.408 5.205 1.00 0.00 C ATOM 293 OG1 THR A 22 -1.935 21.331 3.793 1.00 0.00 O ATOM 294 CG2 THR A 22 -1.057 22.232 5.855 1.00 0.00 C ATOM 0 H THR A 22 -0.437 19.664 4.744 1.00 0.00 H new ATOM 0 HA THR A 22 -2.107 20.062 6.891 1.00 0.00 H new ATOM 0 HB THR A 22 -3.115 21.896 5.394 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.904 22.235 3.417 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.038 23.228 5.413 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.247 22.314 6.925 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.095 21.745 5.693 1.00 0.00 H new ATOM 302 N SER A 23 -3.695 18.888 4.238 1.00 0.00 N ATOM 303 CA SER A 23 -4.934 18.263 3.790 1.00 0.00 C ATOM 304 C SER A 23 -4.661 16.888 3.188 1.00 0.00 C ATOM 305 O SER A 23 -5.496 16.335 2.471 1.00 0.00 O ATOM 306 CB SER A 23 -5.636 19.152 2.763 1.00 0.00 C ATOM 307 OG SER A 23 -6.364 20.189 3.398 1.00 0.00 O ATOM 0 H SER A 23 -2.962 18.927 3.530 1.00 0.00 H new ATOM 0 HA SER A 23 -5.584 18.139 4.656 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.898 19.583 2.086 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.311 18.549 2.156 1.00 0.00 H new ATOM 0 HG SER A 23 -7.086 19.801 3.935 1.00 0.00 H new ATOM 313 N SER A 24 -3.487 16.341 3.485 1.00 0.00 N ATOM 314 CA SER A 24 -3.102 15.032 2.971 1.00 0.00 C ATOM 315 C SER A 24 -2.067 14.374 3.879 1.00 0.00 C ATOM 316 O SER A 24 -1.653 14.950 4.887 1.00 0.00 O ATOM 317 CB SER A 24 -2.543 15.162 1.553 1.00 0.00 C ATOM 318 OG SER A 24 -1.939 16.429 1.357 1.00 0.00 O ATOM 0 H SER A 24 -2.786 16.784 4.079 1.00 0.00 H new ATOM 0 HA SER A 24 -3.992 14.403 2.948 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.811 14.375 1.374 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.345 15.022 0.828 1.00 0.00 H new ATOM 0 HG SER A 24 -1.588 16.486 0.444 1.00 0.00 H new ATOM 324 N LEU A 25 -1.653 13.165 3.516 1.00 0.00 N ATOM 325 CA LEU A 25 -0.666 12.428 4.297 1.00 0.00 C ATOM 326 C LEU A 25 -0.212 11.174 3.556 1.00 0.00 C ATOM 327 O LEU A 25 -0.661 10.903 2.442 1.00 0.00 O ATOM 328 CB LEU A 25 -1.247 12.047 5.660 1.00 0.00 C ATOM 329 CG LEU A 25 -2.757 11.811 5.704 1.00 0.00 C ATOM 330 CD1 LEU A 25 -3.108 10.474 5.070 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.265 11.874 7.137 1.00 0.00 C ATOM 0 H LEU A 25 -1.985 12.674 2.686 1.00 0.00 H new ATOM 0 HA LEU A 25 0.200 13.073 4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.748 11.142 6.005 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.002 12.837 6.370 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.245 12.600 5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.187 10.324 5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.780 10.467 4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.609 9.671 5.614 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.342 11.704 7.149 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.770 11.107 7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.048 12.856 7.557 1.00 0.00 H new ATOM 343 N ARG A 26 0.677 10.412 4.183 1.00 0.00 N ATOM 344 CA ARG A 26 1.191 9.186 3.584 1.00 0.00 C ATOM 345 C ARG A 26 1.133 8.029 4.578 1.00 0.00 C ATOM 346 O ARG A 26 1.211 8.234 5.790 1.00 0.00 O ATOM 347 CB ARG A 26 2.630 9.390 3.106 1.00 0.00 C ATOM 348 CG ARG A 26 3.224 8.169 2.424 1.00 0.00 C ATOM 349 CD ARG A 26 4.700 8.367 2.114 1.00 0.00 C ATOM 350 NE ARG A 26 5.355 7.115 1.744 1.00 0.00 N ATOM 351 CZ ARG A 26 6.591 7.047 1.264 1.00 0.00 C ATOM 352 NH1 ARG A 26 7.303 8.153 1.096 1.00 0.00 N ATOM 353 NH2 ARG A 26 7.118 5.870 0.950 1.00 0.00 N ATOM 0 H ARG A 26 1.057 10.622 5.106 1.00 0.00 H new ATOM 0 HA ARG A 26 0.563 8.939 2.728 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.658 10.232 2.414 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.253 9.658 3.959 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.100 7.296 3.065 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.681 7.966 1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.806 9.086 1.301 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.199 8.794 2.984 1.00 0.00 H new ATOM 0 HE ARG A 26 4.835 6.246 1.861 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.901 9.059 1.336 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.252 8.097 0.727 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.573 5.017 1.077 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.068 5.818 0.581 1.00 0.00 H new ATOM 367 N LEU A 27 0.996 6.815 4.057 1.00 0.00 N ATOM 368 CA LEU A 27 0.928 5.625 4.898 1.00 0.00 C ATOM 369 C LEU A 27 2.044 4.646 4.549 1.00 0.00 C ATOM 370 O LEU A 27 2.619 4.708 3.463 1.00 0.00 O ATOM 371 CB LEU A 27 -0.433 4.943 4.741 1.00 0.00 C ATOM 372 CG LEU A 27 -1.595 5.580 5.504 1.00 0.00 C ATOM 373 CD1 LEU A 27 -2.918 5.253 4.829 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.603 5.112 6.952 1.00 0.00 C ATOM 0 H LEU A 27 0.930 6.629 3.056 1.00 0.00 H new ATOM 0 HA LEU A 27 1.055 5.936 5.935 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.687 4.924 3.681 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.337 3.906 5.064 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.462 6.662 5.494 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.734 5.714 5.385 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.911 5.638 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.058 4.172 4.808 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.437 5.576 7.480 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.711 4.028 6.983 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.667 5.397 7.432 1.00 0.00 H new ATOM 386 N ASN A 28 2.343 3.742 5.476 1.00 0.00 N ATOM 387 CA ASN A 28 3.389 2.748 5.265 1.00 0.00 C ATOM 388 C ASN A 28 3.140 1.507 6.117 1.00 0.00 C ATOM 389 O ASN A 28 3.124 1.580 7.346 1.00 0.00 O ATOM 390 CB ASN A 28 4.759 3.342 5.596 1.00 0.00 C ATOM 391 CG ASN A 28 5.101 4.531 4.719 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.623 4.373 3.615 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.807 5.730 5.208 1.00 0.00 N ATOM 0 H ASN A 28 1.876 3.677 6.380 1.00 0.00 H new ATOM 0 HA ASN A 28 3.372 2.455 4.215 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.776 3.649 6.642 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.523 2.574 5.477 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.013 6.567 4.664 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.375 5.814 6.128 1.00 0.00 H new ATOM 400 N TRP A 29 2.949 0.371 5.457 1.00 0.00 N ATOM 401 CA TRP A 29 2.702 -0.886 6.154 1.00 0.00 C ATOM 402 C TRP A 29 3.599 -1.993 5.614 1.00 0.00 C ATOM 403 O TRP A 29 3.899 -2.034 4.421 1.00 0.00 O ATOM 404 CB TRP A 29 1.233 -1.289 6.016 1.00 0.00 C ATOM 405 CG TRP A 29 0.789 -1.439 4.592 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.804 -2.582 3.845 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.268 -0.410 3.744 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.323 -2.326 2.584 1.00 0.00 N ATOM 409 CE2 TRP A 29 -0.014 -1.001 2.497 1.00 0.00 C ATOM 410 CE3 TRP A 29 0.009 0.952 3.918 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.539 -0.275 1.431 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.513 1.671 2.859 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.783 1.057 1.629 1.00 0.00 C ATOM 0 H TRP A 29 2.960 0.294 4.440 1.00 0.00 H new ATOM 0 HA TRP A 29 2.933 -0.740 7.209 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.071 -2.231 6.541 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.611 -0.540 6.506 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.144 -3.546 4.194 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.232 -3.011 1.834 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.213 1.434 4.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.746 -0.746 0.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.716 2.725 2.982 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.192 1.646 0.821 1.00 0.00 H new ATOM 424 N GLU A 30 4.024 -2.890 6.499 1.00 0.00 N ATOM 425 CA GLU A 30 4.888 -3.998 6.108 1.00 0.00 C ATOM 426 C GLU A 30 4.080 -5.278 5.921 1.00 0.00 C ATOM 427 O GLU A 30 3.231 -5.615 6.746 1.00 0.00 O ATOM 428 CB GLU A 30 5.978 -4.219 7.159 1.00 0.00 C ATOM 429 CG GLU A 30 6.811 -5.466 6.919 1.00 0.00 C ATOM 430 CD GLU A 30 7.880 -5.666 7.976 1.00 0.00 C ATOM 431 OE1 GLU A 30 7.522 -5.998 9.125 1.00 0.00 O ATOM 432 OE2 GLU A 30 9.074 -5.491 7.653 1.00 0.00 O ATOM 0 H GLU A 30 3.784 -2.871 7.490 1.00 0.00 H new ATOM 0 HA GLU A 30 5.356 -3.742 5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.636 -3.350 7.176 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.514 -4.286 8.143 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.157 -6.337 6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.283 -5.400 5.939 1.00 0.00 H new ATOM 439 N ALA A 31 4.350 -5.987 4.829 1.00 0.00 N ATOM 440 CA ALA A 31 3.649 -7.231 4.534 1.00 0.00 C ATOM 441 C ALA A 31 4.591 -8.257 3.912 1.00 0.00 C ATOM 442 O ALA A 31 5.507 -7.919 3.162 1.00 0.00 O ATOM 443 CB ALA A 31 2.470 -6.966 3.610 1.00 0.00 C ATOM 0 H ALA A 31 5.048 -5.721 4.135 1.00 0.00 H new ATOM 0 HA ALA A 31 3.276 -7.641 5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.956 -7.903 3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.779 -6.274 4.091 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.829 -6.530 2.678 1.00 0.00 H new ATOM 449 N PRO A 32 4.363 -9.540 4.229 1.00 0.00 N ATOM 450 CA PRO A 32 5.181 -10.641 3.712 1.00 0.00 C ATOM 451 C PRO A 32 4.967 -10.870 2.220 1.00 0.00 C ATOM 452 O PRO A 32 4.027 -10.353 1.616 1.00 0.00 O ATOM 453 CB PRO A 32 4.695 -11.850 4.514 1.00 0.00 C ATOM 454 CG PRO A 32 3.303 -11.504 4.916 1.00 0.00 C ATOM 455 CD PRO A 32 3.288 -10.014 5.118 1.00 0.00 C ATOM 0 HA PRO A 32 6.247 -10.442 3.819 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.719 -12.759 3.913 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.326 -12.027 5.385 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.590 -11.801 4.147 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.020 -12.025 5.831 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.324 -9.581 4.850 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.479 -9.747 6.157 1.00 0.00 H new ATOM 463 N PRO A 33 5.858 -11.665 1.609 1.00 0.00 N ATOM 464 CA PRO A 33 5.788 -11.982 0.180 1.00 0.00 C ATOM 465 C PRO A 33 4.606 -12.885 -0.156 1.00 0.00 C ATOM 466 O PRO A 33 4.255 -13.776 0.616 1.00 0.00 O ATOM 467 CB PRO A 33 7.108 -12.707 -0.089 1.00 0.00 C ATOM 468 CG PRO A 33 7.498 -13.284 1.228 1.00 0.00 C ATOM 469 CD PRO A 33 7.004 -12.315 2.267 1.00 0.00 C ATOM 0 HA PRO A 33 5.646 -11.089 -0.428 1.00 0.00 H new ATOM 0 HB2 PRO A 33 6.986 -13.486 -0.842 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.868 -12.020 -0.461 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.053 -14.269 1.370 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.579 -13.410 1.294 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.705 -12.825 3.183 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.773 -11.593 2.541 1.00 0.00 H new ATOM 477 N GLY A 34 3.995 -12.648 -1.313 1.00 0.00 N ATOM 478 CA GLY A 34 2.859 -13.449 -1.730 1.00 0.00 C ATOM 479 C GLY A 34 1.779 -13.520 -0.669 1.00 0.00 C ATOM 480 O GLY A 34 1.103 -14.538 -0.530 1.00 0.00 O ATOM 0 H GLY A 34 4.267 -11.916 -1.969 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.439 -13.030 -2.644 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.197 -14.458 -1.968 1.00 0.00 H new ATOM 484 N ALA A 35 1.617 -12.435 0.081 1.00 0.00 N ATOM 485 CA ALA A 35 0.611 -12.378 1.135 1.00 0.00 C ATOM 486 C ALA A 35 -0.756 -12.006 0.569 1.00 0.00 C ATOM 487 O ALA A 35 -1.728 -12.743 0.734 1.00 0.00 O ATOM 488 CB ALA A 35 1.028 -11.385 2.209 1.00 0.00 C ATOM 0 H ALA A 35 2.169 -11.584 -0.022 1.00 0.00 H new ATOM 0 HA ALA A 35 0.532 -13.369 1.583 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.268 -11.353 2.989 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.979 -11.695 2.642 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.136 -10.395 1.767 1.00 0.00 H new ATOM 494 N PHE A 36 -0.823 -10.858 -0.097 1.00 0.00 N ATOM 495 CA PHE A 36 -2.071 -10.388 -0.686 1.00 0.00 C ATOM 496 C PHE A 36 -1.864 -9.969 -2.138 1.00 0.00 C ATOM 497 O PHE A 36 -0.767 -9.569 -2.530 1.00 0.00 O ATOM 498 CB PHE A 36 -2.630 -9.214 0.121 1.00 0.00 C ATOM 499 CG PHE A 36 -2.417 -9.350 1.602 1.00 0.00 C ATOM 500 CD1 PHE A 36 -1.241 -8.914 2.189 1.00 0.00 C ATOM 501 CD2 PHE A 36 -3.394 -9.914 2.407 1.00 0.00 C ATOM 502 CE1 PHE A 36 -1.042 -9.037 3.552 1.00 0.00 C ATOM 503 CE2 PHE A 36 -3.202 -10.039 3.769 1.00 0.00 C ATOM 504 CZ PHE A 36 -2.024 -9.601 4.343 1.00 0.00 C ATOM 0 H PHE A 36 -0.028 -10.236 -0.242 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.787 -11.210 -0.663 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.162 -8.292 -0.222 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.698 -9.122 -0.078 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.470 -8.473 1.575 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.316 -10.260 1.964 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.120 -8.693 3.997 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.972 -10.479 4.385 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.871 -9.699 5.408 1.00 0.00 H new ATOM 514 N ASP A 37 -2.925 -10.063 -2.932 1.00 0.00 N ATOM 515 CA ASP A 37 -2.861 -9.693 -4.341 1.00 0.00 C ATOM 516 C ASP A 37 -2.795 -8.177 -4.502 1.00 0.00 C ATOM 517 O ASP A 37 -1.996 -7.661 -5.283 1.00 0.00 O ATOM 518 CB ASP A 37 -4.074 -10.246 -5.091 1.00 0.00 C ATOM 519 CG ASP A 37 -3.858 -11.667 -5.572 1.00 0.00 C ATOM 520 OD1 ASP A 37 -3.576 -12.543 -4.728 1.00 0.00 O ATOM 521 OD2 ASP A 37 -3.972 -11.904 -6.793 1.00 0.00 O ATOM 0 H ASP A 37 -3.840 -10.392 -2.624 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.954 -10.125 -4.764 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.946 -10.215 -4.438 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.292 -9.605 -5.945 1.00 0.00 H new ATOM 526 N SER A 38 -3.641 -7.471 -3.760 1.00 0.00 N ATOM 527 CA SER A 38 -3.682 -6.015 -3.824 1.00 0.00 C ATOM 528 C SER A 38 -4.002 -5.419 -2.457 1.00 0.00 C ATOM 529 O SER A 38 -4.146 -6.142 -1.470 1.00 0.00 O ATOM 530 CB SER A 38 -4.723 -5.557 -4.848 1.00 0.00 C ATOM 531 OG SER A 38 -5.790 -6.486 -4.940 1.00 0.00 O ATOM 0 H SER A 38 -4.308 -7.883 -3.107 1.00 0.00 H new ATOM 0 HA SER A 38 -2.698 -5.663 -4.133 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.111 -4.579 -4.564 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.252 -5.442 -5.824 1.00 0.00 H new ATOM 0 HG SER A 38 -6.443 -6.170 -5.599 1.00 0.00 H new ATOM 537 N PHE A 39 -4.112 -4.096 -2.406 1.00 0.00 N ATOM 538 CA PHE A 39 -4.413 -3.401 -1.159 1.00 0.00 C ATOM 539 C PHE A 39 -5.471 -2.323 -1.380 1.00 0.00 C ATOM 540 O PHE A 39 -5.302 -1.432 -2.212 1.00 0.00 O ATOM 541 CB PHE A 39 -3.144 -2.774 -0.580 1.00 0.00 C ATOM 542 CG PHE A 39 -2.322 -3.731 0.236 1.00 0.00 C ATOM 543 CD1 PHE A 39 -2.854 -4.335 1.364 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.016 -4.025 -0.124 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.100 -5.216 2.116 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.258 -4.905 0.624 1.00 0.00 C ATOM 547 CZ PHE A 39 -0.800 -5.500 1.747 1.00 0.00 C ATOM 0 H PHE A 39 -3.997 -3.483 -3.213 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.804 -4.131 -0.451 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.534 -2.388 -1.396 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.420 -1.922 0.042 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.869 -4.115 1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.586 -3.561 -0.999 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.527 -5.682 2.992 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.757 -5.128 0.331 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.208 -6.186 2.335 1.00 0.00 H new ATOM 557 N LEU A 40 -6.563 -2.413 -0.628 1.00 0.00 N ATOM 558 CA LEU A 40 -7.650 -1.446 -0.740 1.00 0.00 C ATOM 559 C LEU A 40 -7.783 -0.625 0.538 1.00 0.00 C ATOM 560 O LEU A 40 -8.189 -1.141 1.580 1.00 0.00 O ATOM 561 CB LEU A 40 -8.968 -2.163 -1.039 1.00 0.00 C ATOM 562 CG LEU A 40 -10.119 -1.280 -1.520 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.698 -0.470 -2.736 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.344 -2.125 -1.837 1.00 0.00 C ATOM 0 H LEU A 40 -6.719 -3.145 0.065 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.417 -0.769 -1.562 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.780 -2.925 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.288 -2.683 -0.136 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.379 -0.587 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.530 0.153 -3.064 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.851 0.165 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.411 -1.146 -3.542 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.153 -1.479 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.098 -2.843 -2.620 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.659 -2.659 -0.941 1.00 0.00 H new ATOM 576 N LEU A 41 -7.441 0.655 0.451 1.00 0.00 N ATOM 577 CA LEU A 41 -7.524 1.550 1.601 1.00 0.00 C ATOM 578 C LEU A 41 -8.830 2.337 1.585 1.00 0.00 C ATOM 579 O LEU A 41 -9.181 2.956 0.580 1.00 0.00 O ATOM 580 CB LEU A 41 -6.335 2.512 1.610 1.00 0.00 C ATOM 581 CG LEU A 41 -6.298 3.521 2.758 1.00 0.00 C ATOM 582 CD1 LEU A 41 -5.666 2.900 3.994 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.540 4.774 2.342 1.00 0.00 C ATOM 0 H LEU A 41 -7.103 1.097 -0.404 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.499 0.943 2.506 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.418 1.924 1.640 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.331 3.062 0.669 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.322 3.803 3.001 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.648 3.633 4.801 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.249 2.033 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.647 2.589 3.764 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.524 5.481 3.171 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.518 4.508 2.071 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.035 5.231 1.485 1.00 0.00 H new ATOM 595 N ARG A 42 -9.545 2.310 2.705 1.00 0.00 N ATOM 596 CA ARG A 42 -10.812 3.022 2.820 1.00 0.00 C ATOM 597 C ARG A 42 -10.750 4.065 3.932 1.00 0.00 C ATOM 598 O ARG A 42 -10.608 3.727 5.108 1.00 0.00 O ATOM 599 CB ARG A 42 -11.951 2.039 3.091 1.00 0.00 C ATOM 600 CG ARG A 42 -12.611 1.508 1.829 1.00 0.00 C ATOM 601 CD ARG A 42 -14.028 1.028 2.101 1.00 0.00 C ATOM 602 NE ARG A 42 -14.996 2.120 2.048 1.00 0.00 N ATOM 603 CZ ARG A 42 -16.306 1.936 1.928 1.00 0.00 C ATOM 604 NH1 ARG A 42 -16.802 0.709 1.849 1.00 0.00 N ATOM 605 NH2 ARG A 42 -17.123 2.981 1.887 1.00 0.00 N ATOM 0 H ARG A 42 -9.268 1.803 3.546 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.000 3.533 1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.565 1.200 3.670 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.705 2.530 3.706 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.630 2.290 1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.019 0.687 1.425 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.300 0.267 1.369 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.068 0.555 3.082 1.00 0.00 H new ATOM 0 HE ARG A 42 -14.647 3.077 2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -16.177 -0.097 1.880 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -17.808 0.571 1.757 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -16.745 3.926 1.948 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -18.129 2.839 1.795 1.00 0.00 H new ATOM 619 N PHE A 43 -10.857 5.334 3.553 1.00 0.00 N ATOM 620 CA PHE A 43 -10.812 6.427 4.518 1.00 0.00 C ATOM 621 C PHE A 43 -12.166 7.126 4.611 1.00 0.00 C ATOM 622 O PHE A 43 -12.675 7.651 3.622 1.00 0.00 O ATOM 623 CB PHE A 43 -9.730 7.436 4.127 1.00 0.00 C ATOM 624 CG PHE A 43 -9.605 7.636 2.644 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.150 6.612 1.829 1.00 0.00 C ATOM 626 CD2 PHE A 43 -9.941 8.849 2.064 1.00 0.00 C ATOM 627 CE1 PHE A 43 -9.033 6.792 0.464 1.00 0.00 C ATOM 628 CE2 PHE A 43 -9.827 9.035 0.699 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.372 8.006 -0.102 1.00 0.00 C ATOM 0 H PHE A 43 -10.975 5.631 2.584 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.572 6.007 5.495 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.951 8.394 4.597 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.771 7.100 4.522 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.883 5.661 2.266 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.296 9.658 2.685 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.677 5.985 -0.159 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.094 9.985 0.259 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.281 8.150 -1.169 1.00 0.00 H new ATOM 639 N GLY A 44 -12.743 7.128 5.809 1.00 0.00 N ATOM 640 CA GLY A 44 -14.031 7.763 6.011 1.00 0.00 C ATOM 641 C GLY A 44 -14.023 8.735 7.175 1.00 0.00 C ATOM 642 O GLY A 44 -13.150 8.670 8.040 1.00 0.00 O ATOM 0 H GLY A 44 -12.341 6.701 6.643 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.318 8.292 5.102 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.787 6.997 6.186 1.00 0.00 H new ATOM 646 N VAL A 45 -14.997 9.639 7.196 1.00 0.00 N ATOM 647 CA VAL A 45 -15.098 10.629 8.262 1.00 0.00 C ATOM 648 C VAL A 45 -15.682 10.014 9.529 1.00 0.00 C ATOM 649 O VAL A 45 -16.856 9.646 9.586 1.00 0.00 O ATOM 650 CB VAL A 45 -15.969 11.825 7.836 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.972 12.896 8.916 1.00 0.00 C ATOM 652 CG2 VAL A 45 -15.483 12.394 6.511 1.00 0.00 C ATOM 0 H VAL A 45 -15.727 9.706 6.487 1.00 0.00 H new ATOM 0 HA VAL A 45 -14.086 10.980 8.465 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.993 11.476 7.702 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.593 13.733 8.597 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.372 12.479 9.840 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.953 13.244 9.086 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -16.110 13.238 6.226 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -14.451 12.728 6.615 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -15.539 11.624 5.742 1.00 0.00 H new ATOM 662 N PRO A 46 -14.845 9.900 10.571 1.00 0.00 N ATOM 663 CA PRO A 46 -15.257 9.331 11.857 1.00 0.00 C ATOM 664 C PRO A 46 -16.226 10.237 12.609 1.00 0.00 C ATOM 665 O PRO A 46 -15.838 11.289 13.118 1.00 0.00 O ATOM 666 CB PRO A 46 -13.939 9.202 12.626 1.00 0.00 C ATOM 667 CG PRO A 46 -13.048 10.232 12.024 1.00 0.00 C ATOM 668 CD PRO A 46 -13.433 10.317 10.573 1.00 0.00 C ATOM 0 HA PRO A 46 -15.789 8.388 11.733 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.084 9.378 13.692 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.516 8.203 12.522 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.175 11.195 12.518 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.000 9.953 12.134 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.312 11.328 10.183 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.819 9.661 9.955 1.00 0.00 H new ATOM 923 N GLU A 62 -11.502 5.264 -2.032 1.00 0.00 N ATOM 924 CA GLU A 62 -10.498 4.284 -1.637 1.00 0.00 C ATOM 925 C GLU A 62 -9.330 4.274 -2.620 1.00 0.00 C ATOM 926 O GLU A 62 -9.484 4.633 -3.788 1.00 0.00 O ATOM 927 CB GLU A 62 -11.120 2.888 -1.554 1.00 0.00 C ATOM 928 CG GLU A 62 -11.530 2.324 -2.904 1.00 0.00 C ATOM 929 CD GLU A 62 -12.954 2.686 -3.280 1.00 0.00 C ATOM 930 OE1 GLU A 62 -13.571 3.497 -2.558 1.00 0.00 O ATOM 931 OE2 GLU A 62 -13.451 2.159 -4.297 1.00 0.00 O ATOM 0 HA GLU A 62 -10.121 4.565 -0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.407 2.209 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.995 2.927 -0.905 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.850 2.696 -3.671 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.428 1.239 -2.886 1.00 0.00 H new ATOM 938 N LEU A 63 -8.163 3.863 -2.138 1.00 0.00 N ATOM 939 CA LEU A 63 -6.968 3.807 -2.972 1.00 0.00 C ATOM 940 C LEU A 63 -6.667 2.373 -3.398 1.00 0.00 C ATOM 941 O LEU A 63 -7.075 1.420 -2.735 1.00 0.00 O ATOM 942 CB LEU A 63 -5.769 4.389 -2.221 1.00 0.00 C ATOM 943 CG LEU A 63 -4.619 4.902 -3.087 1.00 0.00 C ATOM 944 CD1 LEU A 63 -4.856 6.350 -3.487 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.294 4.760 -2.352 1.00 0.00 C ATOM 0 H LEU A 63 -8.019 3.564 -1.174 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.152 4.402 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.121 5.210 -1.596 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.379 3.623 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.576 4.299 -3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.027 6.698 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.785 6.424 -4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.927 6.968 -2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.486 5.130 -2.983 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.327 5.338 -1.428 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.119 3.710 -2.117 1.00 0.00 H new ATOM 957 N MET A 64 -5.950 2.229 -4.507 1.00 0.00 N ATOM 958 CA MET A 64 -5.592 0.911 -5.019 1.00 0.00 C ATOM 959 C MET A 64 -4.077 0.755 -5.107 1.00 0.00 C ATOM 960 O MET A 64 -3.391 1.587 -5.702 1.00 0.00 O ATOM 961 CB MET A 64 -6.221 0.687 -6.396 1.00 0.00 C ATOM 962 CG MET A 64 -6.623 -0.756 -6.653 1.00 0.00 C ATOM 963 SD MET A 64 -5.488 -1.938 -5.900 1.00 0.00 S ATOM 964 CE MET A 64 -6.549 -2.687 -4.667 1.00 0.00 C ATOM 0 H MET A 64 -5.605 3.008 -5.068 1.00 0.00 H new ATOM 0 HA MET A 64 -5.977 0.163 -4.326 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.101 1.323 -6.492 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.515 1.001 -7.164 1.00 0.00 H new ATOM 0 HG2 MET A 64 -7.627 -0.924 -6.264 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.664 -0.932 -7.728 1.00 0.00 H new ATOM 0 HE1 MET A 64 -5.937 -3.162 -3.901 1.00 0.00 H new ATOM 0 HE2 MET A 64 -7.173 -1.919 -4.209 1.00 0.00 H new ATOM 0 HE3 MET A 64 -7.184 -3.436 -5.140 1.00 0.00 H new ATOM 974 N VAL A 65 -3.561 -0.316 -4.512 1.00 0.00 N ATOM 975 CA VAL A 65 -2.127 -0.581 -4.524 1.00 0.00 C ATOM 976 C VAL A 65 -1.845 -2.078 -4.474 1.00 0.00 C ATOM 977 O VAL A 65 -2.432 -2.820 -3.686 1.00 0.00 O ATOM 978 CB VAL A 65 -1.420 0.104 -3.340 1.00 0.00 C ATOM 979 CG1 VAL A 65 -0.012 0.526 -3.730 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.228 1.298 -2.855 1.00 0.00 C ATOM 0 H VAL A 65 -4.115 -1.014 -4.016 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.737 -0.172 -5.456 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.345 -0.612 -2.521 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.472 1.008 -2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.563 -0.352 -4.024 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.060 1.225 -4.565 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.713 1.770 -2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.337 2.018 -3.666 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.214 0.963 -2.533 1.00 0.00 H new ATOM 990 N PRO A 66 -0.923 -2.535 -5.335 1.00 0.00 N ATOM 991 CA PRO A 66 -0.541 -3.948 -5.408 1.00 0.00 C ATOM 992 C PRO A 66 0.240 -4.402 -4.179 1.00 0.00 C ATOM 993 O PRO A 66 0.893 -3.598 -3.515 1.00 0.00 O ATOM 994 CB PRO A 66 0.343 -4.013 -6.656 1.00 0.00 C ATOM 995 CG PRO A 66 0.888 -2.634 -6.805 1.00 0.00 C ATOM 996 CD PRO A 66 -0.184 -1.708 -6.303 1.00 0.00 C ATOM 0 HA PRO A 66 -1.411 -4.603 -5.450 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.143 -4.744 -6.537 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.232 -4.309 -7.534 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.807 -2.514 -6.232 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.131 -2.421 -7.846 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.239 -0.821 -5.833 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.828 -1.363 -7.112 1.00 0.00 H new ATOM 1004 N GLY A 67 0.168 -5.696 -3.882 1.00 0.00 N ATOM 1005 CA GLY A 67 0.874 -6.233 -2.733 1.00 0.00 C ATOM 1006 C GLY A 67 2.324 -5.796 -2.687 1.00 0.00 C ATOM 1007 O GLY A 67 2.866 -5.527 -1.614 1.00 0.00 O ATOM 0 H GLY A 67 -0.366 -6.382 -4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.372 -5.913 -1.820 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.827 -7.322 -2.758 1.00 0.00 H new ATOM 1011 N THR A 68 2.958 -5.728 -3.854 1.00 0.00 N ATOM 1012 CA THR A 68 4.355 -5.324 -3.942 1.00 0.00 C ATOM 1013 C THR A 68 4.551 -3.904 -3.422 1.00 0.00 C ATOM 1014 O THR A 68 5.639 -3.543 -2.972 1.00 0.00 O ATOM 1015 CB THR A 68 4.872 -5.403 -5.391 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.301 -5.312 -5.407 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.278 -4.289 -6.240 1.00 0.00 C ATOM 0 H THR A 68 2.525 -5.948 -4.751 1.00 0.00 H new ATOM 0 HA THR A 68 4.924 -6.017 -3.322 1.00 0.00 H new ATOM 0 HB THR A 68 4.565 -6.361 -5.811 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.622 -5.365 -6.332 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.658 -4.366 -7.259 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.192 -4.379 -6.250 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.558 -3.323 -5.820 1.00 0.00 H new ATOM 1025 N ARG A 69 3.492 -3.104 -3.486 1.00 0.00 N ATOM 1026 CA ARG A 69 3.549 -1.723 -3.022 1.00 0.00 C ATOM 1027 C ARG A 69 2.689 -1.533 -1.776 1.00 0.00 C ATOM 1028 O ARG A 69 1.498 -1.849 -1.776 1.00 0.00 O ATOM 1029 CB ARG A 69 3.084 -0.772 -4.126 1.00 0.00 C ATOM 1030 CG ARG A 69 4.218 -0.231 -4.981 1.00 0.00 C ATOM 1031 CD ARG A 69 3.695 0.634 -6.117 1.00 0.00 C ATOM 1032 NE ARG A 69 4.773 1.329 -6.817 1.00 0.00 N ATOM 1033 CZ ARG A 69 5.364 2.423 -6.352 1.00 0.00 C ATOM 1034 NH1 ARG A 69 4.985 2.944 -5.193 1.00 0.00 N ATOM 1035 NH2 ARG A 69 6.338 2.999 -7.046 1.00 0.00 N ATOM 0 H ARG A 69 2.584 -3.388 -3.855 1.00 0.00 H new ATOM 0 HA ARG A 69 4.584 -1.494 -2.767 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.373 -1.293 -4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.551 0.064 -3.673 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.897 0.354 -4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.795 -1.061 -5.390 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.146 0.011 -6.824 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.990 1.365 -5.721 1.00 0.00 H new ATOM 0 HE ARG A 69 5.088 0.953 -7.711 1.00 0.00 H new ATOM 0 HH11 ARG A 69 4.238 2.504 -4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.441 3.785 -4.838 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.633 2.601 -7.938 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.791 3.840 -6.688 1.00 0.00 H new ATOM 1049 N HIS A 70 3.299 -1.015 -0.715 1.00 0.00 N ATOM 1050 CA HIS A 70 2.589 -0.783 0.538 1.00 0.00 C ATOM 1051 C HIS A 70 2.586 0.701 0.894 1.00 0.00 C ATOM 1052 O HIS A 70 3.212 1.117 1.869 1.00 0.00 O ATOM 1053 CB HIS A 70 3.229 -1.589 1.669 1.00 0.00 C ATOM 1054 CG HIS A 70 3.531 -3.008 1.296 1.00 0.00 C ATOM 1055 ND1 HIS A 70 4.731 -3.402 0.742 1.00 0.00 N ATOM 1056 CD2 HIS A 70 2.781 -4.130 1.403 1.00 0.00 C ATOM 1057 CE1 HIS A 70 4.705 -4.704 0.523 1.00 0.00 C ATOM 1058 NE2 HIS A 70 3.533 -5.170 0.915 1.00 0.00 N ATOM 0 H HIS A 70 4.283 -0.748 -0.698 1.00 0.00 H new ATOM 0 HA HIS A 70 1.557 -1.110 0.408 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.152 -1.098 1.976 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.562 -1.583 2.531 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.516 -2.784 0.534 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.778 -4.195 1.798 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.506 -5.289 0.096 1.00 0.00 H new ATOM 1067 N SER A 71 1.878 1.494 0.096 1.00 0.00 N ATOM 1068 CA SER A 71 1.798 2.932 0.324 1.00 0.00 C ATOM 1069 C SER A 71 0.395 3.452 0.025 1.00 0.00 C ATOM 1070 O SER A 71 -0.334 2.875 -0.782 1.00 0.00 O ATOM 1071 CB SER A 71 2.821 3.666 -0.545 1.00 0.00 C ATOM 1072 OG SER A 71 2.535 3.497 -1.923 1.00 0.00 O ATOM 0 H SER A 71 1.352 1.165 -0.714 1.00 0.00 H new ATOM 0 HA SER A 71 2.022 3.121 1.374 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.818 4.727 -0.297 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.822 3.291 -0.329 1.00 0.00 H new ATOM 0 HG SER A 71 3.202 3.977 -2.457 1.00 0.00 H new ATOM 1078 N ALA A 72 0.023 4.545 0.683 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.291 5.145 0.488 1.00 0.00 C ATOM 1080 C ALA A 72 -1.273 6.631 0.830 1.00 0.00 C ATOM 1081 O ALA A 72 -0.933 7.017 1.948 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.332 4.420 1.329 1.00 0.00 C ATOM 0 H ALA A 72 0.614 5.033 1.356 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.556 5.045 -0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.309 4.878 1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.372 3.372 1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.062 4.490 2.383 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.640 7.461 -0.141 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.666 8.905 0.057 1.00 0.00 C ATOM 1090 C VAL A 73 -3.067 9.465 -0.163 1.00 0.00 C ATOM 1091 O VAL A 73 -3.644 9.317 -1.241 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.685 9.620 -0.891 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.796 11.129 -0.736 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.740 9.153 -0.634 1.00 0.00 C ATOM 0 H VAL A 73 -1.923 7.158 -1.073 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.362 9.088 1.088 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.948 9.364 -1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.095 11.617 -1.414 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.811 11.446 -0.974 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.561 11.408 0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.420 9.668 -1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.016 9.378 0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.806 8.078 -0.801 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.609 10.109 0.864 1.00 0.00 N ATOM 1105 CA LEU A 74 -4.943 10.693 0.784 1.00 0.00 C ATOM 1106 C LEU A 74 -4.866 12.197 0.545 1.00 0.00 C ATOM 1107 O LEU A 74 -3.992 12.877 1.083 1.00 0.00 O ATOM 1108 CB LEU A 74 -5.724 10.408 2.068 1.00 0.00 C ATOM 1109 CG LEU A 74 -5.981 8.934 2.385 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.500 8.206 1.155 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -4.713 8.271 2.904 1.00 0.00 C ATOM 0 H LEU A 74 -3.145 10.240 1.763 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.462 10.236 -0.059 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.182 10.850 2.904 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.685 10.918 2.006 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.742 8.877 3.164 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.677 7.159 1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.433 8.665 0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.763 8.272 0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.915 7.223 3.124 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.931 8.339 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.384 8.776 3.812 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.788 12.711 -0.262 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.825 14.135 -0.571 1.00 0.00 C ATOM 1125 C ARG A 75 -7.236 14.692 -0.403 1.00 0.00 C ATOM 1126 O ARG A 75 -8.185 13.944 -0.166 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.335 14.382 -1.999 1.00 0.00 C ATOM 1128 CG ARG A 75 -3.855 14.095 -2.193 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.484 14.055 -3.668 1.00 0.00 C ATOM 1130 NE ARG A 75 -4.006 12.863 -4.332 1.00 0.00 N ATOM 1131 CZ ARG A 75 -3.777 12.573 -5.607 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -3.038 13.384 -6.353 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -4.286 11.470 -6.140 1.00 0.00 N ATOM 0 H ARG A 75 -6.520 12.162 -0.714 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.164 14.649 0.127 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.910 13.759 -2.684 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.534 15.419 -2.268 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.266 14.861 -1.689 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.604 13.142 -1.728 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.872 14.945 -4.164 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.399 14.081 -3.770 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.578 12.218 -3.786 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.644 14.233 -5.947 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.864 13.159 -7.332 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.854 10.843 -5.570 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.109 11.249 -7.120 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.366 16.008 -0.527 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.661 16.665 -0.390 1.00 0.00 C ATOM 1149 C ASP A 76 -9.198 16.514 1.030 1.00 0.00 C ATOM 1150 O ASP A 76 -10.409 16.545 1.253 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.661 16.083 -1.391 1.00 0.00 C ATOM 1152 CG ASP A 76 -10.902 16.942 -1.535 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -10.840 17.957 -2.260 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -11.934 16.598 -0.923 1.00 0.00 O ATOM 0 H ASP A 76 -6.591 16.641 -0.722 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.527 17.726 -0.598 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.179 15.980 -2.363 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -9.951 15.082 -1.071 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.291 16.351 1.986 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.674 16.194 3.385 1.00 0.00 C ATOM 1161 C LEU A 77 -8.844 17.553 4.058 1.00 0.00 C ATOM 1162 O LEU A 77 -8.262 18.548 3.627 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.623 15.371 4.133 1.00 0.00 C ATOM 1164 CG LEU A 77 -7.198 14.062 3.466 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -6.366 13.222 4.423 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -8.417 13.284 2.992 1.00 0.00 C ATOM 0 H LEU A 77 -7.285 16.324 1.819 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.629 15.669 3.418 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.736 15.990 4.271 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -8.009 15.141 5.126 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.585 14.301 2.597 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.072 12.294 3.932 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.474 13.777 4.713 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.955 12.992 5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -8.095 12.356 2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -9.057 13.055 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.974 13.883 2.272 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.645 17.586 5.118 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.892 18.821 5.851 1.00 0.00 C ATOM 1180 C ARG A 78 -8.719 19.152 6.769 1.00 0.00 C ATOM 1181 O ARG A 78 -8.044 18.257 7.278 1.00 0.00 O ATOM 1182 CB ARG A 78 -11.178 18.705 6.672 1.00 0.00 C ATOM 1183 CG ARG A 78 -11.901 20.028 6.861 1.00 0.00 C ATOM 1184 CD ARG A 78 -11.328 20.814 8.030 1.00 0.00 C ATOM 1185 NE ARG A 78 -12.340 21.637 8.686 1.00 0.00 N ATOM 1186 CZ ARG A 78 -12.058 22.727 9.390 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -10.800 23.124 9.528 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -13.035 23.424 9.957 1.00 0.00 N ATOM 0 H ARG A 78 -10.134 16.771 5.488 1.00 0.00 H new ATOM 0 HA ARG A 78 -10.004 19.627 5.126 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.850 18.000 6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.938 18.289 7.650 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -11.822 20.620 5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -12.962 19.843 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.897 20.123 8.755 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.517 21.451 7.676 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.318 21.359 8.599 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.047 22.592 9.093 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.586 23.962 10.069 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -14.004 23.122 9.852 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.817 24.261 10.498 1.00 0.00 H new ATOM 1202 N SER A 79 -8.481 20.444 6.975 1.00 0.00 N ATOM 1203 CA SER A 79 -7.387 20.893 7.827 1.00 0.00 C ATOM 1204 C SER A 79 -7.676 20.580 9.292 1.00 0.00 C ATOM 1205 O SER A 79 -8.820 20.649 9.740 1.00 0.00 O ATOM 1206 CB SER A 79 -7.159 22.396 7.651 1.00 0.00 C ATOM 1207 OG SER A 79 -6.264 22.654 6.583 1.00 0.00 O ATOM 0 H SER A 79 -9.031 21.198 6.563 1.00 0.00 H new ATOM 0 HA SER A 79 -6.485 20.358 7.530 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.111 22.892 7.460 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.760 22.817 8.574 1.00 0.00 H new ATOM 0 HG SER A 79 -5.526 23.214 6.903 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.628 20.234 10.035 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.789 19.914 11.441 1.00 0.00 C ATOM 1215 C GLY A 80 -7.987 19.022 11.700 1.00 0.00 C ATOM 1216 O GLY A 80 -8.920 19.410 12.404 1.00 0.00 O ATOM 0 H GLY A 80 -5.671 20.170 9.688 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.887 19.420 11.803 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.898 20.837 12.010 1.00 0.00 H new ATOM 1220 N THR A 81 -7.964 17.822 11.128 1.00 0.00 N ATOM 1221 CA THR A 81 -9.057 16.873 11.298 1.00 0.00 C ATOM 1222 C THR A 81 -8.539 15.440 11.343 1.00 0.00 C ATOM 1223 O THR A 81 -7.612 15.081 10.615 1.00 0.00 O ATOM 1224 CB THR A 81 -10.091 16.998 10.163 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.951 18.117 10.405 1.00 0.00 O ATOM 1226 CG2 THR A 81 -10.921 15.729 10.045 1.00 0.00 C ATOM 0 H THR A 81 -7.200 17.484 10.543 1.00 0.00 H new ATOM 0 HA THR A 81 -9.539 17.112 12.246 1.00 0.00 H new ATOM 0 HB THR A 81 -9.554 17.150 9.227 1.00 0.00 H new ATOM 0 HG1 THR A 81 -10.562 18.683 11.104 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.644 15.841 9.237 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.266 14.884 9.831 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.449 15.551 10.982 1.00 0.00 H new ATOM 1234 N LEU A 82 -9.143 14.625 12.200 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.743 13.229 12.340 1.00 0.00 C ATOM 1236 C LEU A 82 -9.534 12.338 11.388 1.00 0.00 C ATOM 1237 O LEU A 82 -10.765 12.355 11.384 1.00 0.00 O ATOM 1238 CB LEU A 82 -8.946 12.761 13.782 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.202 11.488 14.185 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -8.526 10.353 13.226 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -6.702 11.738 14.231 1.00 0.00 C ATOM 0 H LEU A 82 -9.912 14.906 12.809 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.686 13.153 12.086 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.638 13.565 14.451 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.012 12.602 13.945 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.532 11.198 15.183 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.987 9.455 13.529 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -9.598 10.156 13.244 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.226 10.633 12.216 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.189 10.821 14.520 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.355 12.053 13.247 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.486 12.519 14.959 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.820 11.560 10.583 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.455 10.662 9.626 1.00 0.00 C ATOM 1255 C TYR A 83 -9.181 9.204 9.982 1.00 0.00 C ATOM 1256 O TYR A 83 -8.076 8.850 10.393 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.956 10.955 8.210 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.629 12.145 7.565 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -9.227 13.441 7.863 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -10.667 11.973 6.657 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -9.840 14.531 7.276 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -11.284 13.058 6.065 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.868 14.335 6.378 1.00 0.00 C ATOM 1264 OH TYR A 83 -11.480 15.418 5.790 1.00 0.00 O ATOM 0 H TYR A 83 -7.800 11.533 10.574 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.531 10.831 9.667 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.881 11.130 8.242 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -9.118 10.075 7.587 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.422 13.599 8.565 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.997 10.975 6.410 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.516 15.532 7.519 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -12.088 12.907 5.360 1.00 0.00 H new ATOM 0 HH TYR A 83 -12.183 15.106 5.182 1.00 0.00 H new ATOM 1274 N SER A 84 -10.197 8.361 9.821 1.00 0.00 N ATOM 1275 CA SER A 84 -10.068 6.941 10.128 1.00 0.00 C ATOM 1276 C SER A 84 -9.677 6.150 8.884 1.00 0.00 C ATOM 1277 O SER A 84 -10.493 5.936 7.987 1.00 0.00 O ATOM 1278 CB SER A 84 -11.381 6.400 10.698 1.00 0.00 C ATOM 1279 OG SER A 84 -11.284 5.014 10.974 1.00 0.00 O ATOM 0 H SER A 84 -11.118 8.637 9.480 1.00 0.00 H new ATOM 0 HA SER A 84 -9.281 6.825 10.873 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.634 6.939 11.611 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.189 6.577 9.989 1.00 0.00 H new ATOM 0 HG SER A 84 -12.135 4.693 11.339 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.422 5.717 8.837 1.00 0.00 N ATOM 1286 CA LEU A 85 -7.920 4.948 7.703 1.00 0.00 C ATOM 1287 C LEU A 85 -7.978 3.451 7.991 1.00 0.00 C ATOM 1288 O LEU A 85 -7.526 2.991 9.040 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.483 5.361 7.378 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.148 6.839 7.578 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.664 7.017 7.861 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.560 7.649 6.358 1.00 0.00 C ATOM 0 H LEU A 85 -7.733 5.885 9.570 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.556 5.158 6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.808 4.769 7.996 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.277 5.100 6.340 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.708 7.205 8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.445 8.076 8.001 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.398 6.469 8.765 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.085 6.634 7.021 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.314 8.699 6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -6.028 7.281 5.481 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.634 7.548 6.200 1.00 0.00 H new ATOM 1304 N THR A 86 -8.537 2.694 7.052 1.00 0.00 N ATOM 1305 CA THR A 86 -8.653 1.250 7.204 1.00 0.00 C ATOM 1306 C THR A 86 -8.217 0.526 5.935 1.00 0.00 C ATOM 1307 O THR A 86 -8.949 0.492 4.945 1.00 0.00 O ATOM 1308 CB THR A 86 -10.097 0.836 7.547 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.572 1.594 8.665 1.00 0.00 O ATOM 1310 CG2 THR A 86 -10.173 -0.650 7.866 1.00 0.00 C ATOM 0 H THR A 86 -8.917 3.058 6.178 1.00 0.00 H new ATOM 0 HA THR A 86 -7.996 0.965 8.025 1.00 0.00 H new ATOM 0 HB THR A 86 -10.725 1.038 6.679 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.491 1.326 8.875 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.202 -0.919 8.105 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.839 -1.225 7.002 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.532 -0.872 8.719 1.00 0.00 H new ATOM 1318 N LEU A 87 -7.022 -0.052 5.971 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.487 -0.776 4.823 1.00 0.00 C ATOM 1320 C LEU A 87 -6.993 -2.215 4.804 1.00 0.00 C ATOM 1321 O LEU A 87 -7.260 -2.804 5.851 1.00 0.00 O ATOM 1322 CB LEU A 87 -4.958 -0.761 4.852 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.258 -1.481 3.699 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.188 -0.583 2.473 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.864 -1.927 4.116 1.00 0.00 C ATOM 0 H LEU A 87 -6.405 -0.034 6.783 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.831 -0.277 3.917 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.625 0.277 4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.628 -1.210 5.789 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.839 -2.367 3.443 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.687 -1.112 1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.197 -0.314 2.161 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.630 0.321 2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.381 -2.438 3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.273 -1.056 4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.938 -2.607 4.964 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.120 -2.776 3.606 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.594 -4.146 3.451 1.00 0.00 C ATOM 1339 C TYR A 88 -6.652 -4.950 2.560 1.00 0.00 C ATOM 1340 O TYR A 88 -6.402 -4.585 1.412 1.00 0.00 O ATOM 1341 CB TYR A 88 -9.005 -4.156 2.860 1.00 0.00 C ATOM 1342 CG TYR A 88 -10.058 -3.613 3.799 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.455 -4.332 4.920 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.655 -2.380 3.566 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.418 -3.839 5.780 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.618 -1.879 4.422 1.00 0.00 C ATOM 1347 CZ TYR A 88 -11.996 -2.613 5.527 1.00 0.00 C ATOM 1348 OH TYR A 88 -12.954 -2.118 6.382 1.00 0.00 O ATOM 0 H TYR A 88 -6.901 -2.303 2.729 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.617 -4.610 4.437 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -9.010 -3.567 1.943 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.267 -5.178 2.585 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.003 -5.292 5.123 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.362 -1.803 2.701 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.716 -4.411 6.646 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -12.072 -0.919 4.227 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.258 -1.243 6.061 1.00 0.00 H new ATOM 1358 N GLY A 89 -6.132 -6.049 3.099 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.224 -6.889 2.340 1.00 0.00 C ATOM 1360 C GLY A 89 -5.953 -7.864 1.437 1.00 0.00 C ATOM 1361 O GLY A 89 -6.211 -9.005 1.823 1.00 0.00 O ATOM 0 H GLY A 89 -6.323 -6.372 4.047 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.570 -6.259 1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.586 -7.444 3.028 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.288 -7.415 0.233 1.00 0.00 N ATOM 1366 CA LEU A 90 -6.994 -8.255 -0.728 1.00 0.00 C ATOM 1367 C LEU A 90 -6.112 -9.409 -1.194 1.00 0.00 C ATOM 1368 O LEU A 90 -5.165 -9.211 -1.955 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.443 -7.423 -1.931 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.804 -6.738 -1.802 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -9.910 -7.770 -1.650 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.806 -5.774 -0.625 1.00 0.00 C ATOM 0 H LEU A 90 -6.082 -6.474 -0.101 1.00 0.00 H new ATOM 0 HA LEU A 90 -7.872 -8.670 -0.233 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.690 -6.658 -2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.466 -8.071 -2.807 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.990 -6.169 -2.713 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.871 -7.263 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.924 -8.420 -2.525 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.730 -8.368 -0.756 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.782 -5.295 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.597 -6.321 0.294 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.040 -5.013 -0.776 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.432 -10.614 -0.735 1.00 0.00 N ATOM 1385 CA ARG A 91 -5.669 -11.800 -1.106 1.00 0.00 C ATOM 1386 C ARG A 91 -6.231 -12.434 -2.375 1.00 0.00 C ATOM 1387 O ARG A 91 -5.903 -13.571 -2.711 1.00 0.00 O ATOM 1388 CB ARG A 91 -5.683 -12.819 0.035 1.00 0.00 C ATOM 1389 CG ARG A 91 -7.051 -13.431 0.288 1.00 0.00 C ATOM 1390 CD ARG A 91 -6.936 -14.851 0.821 1.00 0.00 C ATOM 1391 NE ARG A 91 -6.879 -14.885 2.280 1.00 0.00 N ATOM 1392 CZ ARG A 91 -7.912 -14.595 3.063 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -9.076 -14.252 2.530 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -7.781 -14.649 4.382 1.00 0.00 N ATOM 0 H ARG A 91 -7.214 -10.795 -0.106 1.00 0.00 H new ATOM 0 HA ARG A 91 -4.641 -11.494 -1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -4.974 -13.616 -0.192 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -5.337 -12.334 0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -7.599 -12.816 1.002 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -7.626 -13.434 -0.638 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -7.788 -15.437 0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.041 -15.320 0.412 1.00 0.00 H new ATOM 0 HE ARG A 91 -5.997 -15.146 2.722 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -9.180 -14.210 1.516 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.868 -14.030 3.134 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -6.887 -14.913 4.795 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -8.575 -14.426 4.983 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.081 -11.689 -3.075 1.00 0.00 N ATOM 1409 CA GLY A 92 -7.676 -12.194 -4.299 1.00 0.00 C ATOM 1410 C GLY A 92 -9.157 -11.888 -4.393 1.00 0.00 C ATOM 1411 O GLY A 92 -9.563 -10.766 -4.696 1.00 0.00 O ATOM 0 H GLY A 92 -7.368 -10.745 -2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.163 -11.757 -5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -7.527 -13.272 -4.354 1.00 0.00 H new ATOM 1415 N PRO A 93 -9.993 -12.904 -4.129 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.451 -12.762 -4.180 1.00 0.00 C ATOM 1417 C PRO A 93 -11.990 -11.896 -3.046 1.00 0.00 C ATOM 1418 O PRO A 93 -12.744 -10.951 -3.278 1.00 0.00 O ATOM 1419 CB PRO A 93 -11.953 -14.201 -4.037 1.00 0.00 C ATOM 1420 CG PRO A 93 -10.862 -14.912 -3.313 1.00 0.00 C ATOM 1421 CD PRO A 93 -9.579 -14.268 -3.760 1.00 0.00 C ATOM 0 HA PRO A 93 -11.780 -12.269 -5.095 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.889 -14.240 -3.480 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.142 -14.653 -5.011 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -10.988 -14.823 -2.234 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.867 -15.976 -3.548 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.834 -14.261 -2.964 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.137 -14.796 -4.605 1.00 0.00 H new ATOM 1429 N HIS A 94 -11.597 -12.223 -1.819 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.040 -11.474 -0.649 1.00 0.00 C ATOM 1431 C HIS A 94 -10.847 -10.994 0.172 1.00 0.00 C ATOM 1432 O HIS A 94 -9.751 -11.547 0.077 1.00 0.00 O ATOM 1433 CB HIS A 94 -12.957 -12.336 0.218 1.00 0.00 C ATOM 1434 CG HIS A 94 -14.034 -13.031 -0.557 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -15.332 -12.572 -0.620 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -13.999 -14.159 -1.305 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -16.050 -13.387 -1.372 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -15.264 -14.358 -1.801 1.00 0.00 N ATOM 0 H HIS A 94 -10.973 -13.002 -1.609 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.595 -10.602 -0.995 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -12.356 -13.082 0.738 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -13.417 -11.709 0.981 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -13.137 -14.786 -1.479 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -17.101 -13.278 -1.598 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -15.550 -15.130 -2.403 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.067 -9.961 0.979 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.011 -9.407 1.818 1.00 0.00 C ATOM 1449 C LYS A 95 -9.532 -10.433 2.840 1.00 0.00 C ATOM 1450 O LYS A 95 -10.325 -11.212 3.368 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.509 -8.150 2.535 1.00 0.00 C ATOM 1452 CG LYS A 95 -11.167 -7.141 1.610 1.00 0.00 C ATOM 1453 CD LYS A 95 -11.997 -6.132 2.385 1.00 0.00 C ATOM 1454 CE LYS A 95 -12.705 -5.160 1.454 1.00 0.00 C ATOM 1455 NZ LYS A 95 -13.600 -5.863 0.494 1.00 0.00 N ATOM 0 H LYS A 95 -11.968 -9.491 1.069 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.171 -9.143 1.175 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -11.221 -8.441 3.307 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -9.669 -7.673 3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.401 -6.619 1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.802 -7.663 0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -12.734 -6.656 2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.354 -5.579 3.069 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.289 -4.453 2.043 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.964 -4.581 0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.269 -5.182 0.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -13.030 -6.291 -0.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -14.127 -6.608 0.993 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.232 -10.426 3.114 1.00 0.00 N ATOM 1470 CA ALA A 96 -7.649 -11.354 4.075 1.00 0.00 C ATOM 1471 C ALA A 96 -7.526 -10.712 5.453 1.00 0.00 C ATOM 1472 O ALA A 96 -7.995 -11.263 6.449 1.00 0.00 O ATOM 1473 CB ALA A 96 -6.289 -11.832 3.590 1.00 0.00 C ATOM 0 H ALA A 96 -7.562 -9.788 2.684 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.314 -12.214 4.161 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -5.866 -12.524 4.318 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.402 -12.338 2.631 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.623 -10.977 3.473 1.00 0.00 H new ATOM 1479 N ASP A 97 -6.892 -9.546 5.502 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.708 -8.828 6.758 1.00 0.00 C ATOM 1481 C ASP A 97 -7.058 -7.352 6.597 1.00 0.00 C ATOM 1482 O ASP A 97 -7.316 -6.882 5.489 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.265 -8.973 7.246 1.00 0.00 C ATOM 1484 CG ASP A 97 -4.257 -8.490 6.221 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -4.645 -8.305 5.048 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -3.081 -8.297 6.592 1.00 0.00 O ATOM 0 H ASP A 97 -6.497 -9.078 4.687 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.379 -9.263 7.498 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -5.138 -8.409 8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.067 -10.019 7.481 1.00 0.00 H new ATOM 1491 N SER A 98 -7.067 -6.626 7.711 1.00 0.00 N ATOM 1492 CA SER A 98 -7.390 -5.205 7.694 1.00 0.00 C ATOM 1493 C SER A 98 -6.708 -4.479 8.850 1.00 0.00 C ATOM 1494 O SER A 98 -6.863 -4.856 10.012 1.00 0.00 O ATOM 1495 CB SER A 98 -8.905 -5.004 7.774 1.00 0.00 C ATOM 1496 OG SER A 98 -9.383 -5.243 9.086 1.00 0.00 O ATOM 0 H SER A 98 -6.854 -6.999 8.636 1.00 0.00 H new ATOM 0 HA SER A 98 -7.023 -4.785 6.757 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.156 -3.987 7.472 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.402 -5.677 7.075 1.00 0.00 H new ATOM 0 HG SER A 98 -8.629 -5.250 9.712 1.00 0.00 H new ATOM 1502 N ILE A 99 -5.954 -3.435 8.522 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.249 -2.655 9.531 1.00 0.00 C ATOM 1504 C ILE A 99 -5.903 -1.292 9.729 1.00 0.00 C ATOM 1505 O ILE A 99 -6.439 -0.708 8.788 1.00 0.00 O ATOM 1506 CB ILE A 99 -3.770 -2.452 9.154 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.002 -1.835 10.326 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -3.654 -1.574 7.917 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -2.377 -2.861 11.245 1.00 0.00 C ATOM 0 H ILE A 99 -5.816 -3.110 7.565 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.304 -3.220 10.461 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.332 -3.424 8.928 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -2.220 -1.185 9.935 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.680 -1.207 10.904 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.602 -1.440 7.663 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.171 -2.050 7.083 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.106 -0.602 8.117 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.849 -2.353 12.052 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.157 -3.496 11.665 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.674 -3.474 10.681 1.00 0.00 H new ATOM 1521 N GLN A 100 -5.855 -0.791 10.959 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.442 0.504 11.280 1.00 0.00 C ATOM 1523 C GLN A 100 -5.360 1.520 11.631 1.00 0.00 C ATOM 1524 O GLN A 100 -4.593 1.325 12.573 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.427 0.368 12.442 1.00 0.00 C ATOM 1526 CG GLN A 100 -8.667 -0.440 12.097 1.00 0.00 C ATOM 1527 CD GLN A 100 -9.520 -0.749 13.312 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -9.135 -0.459 14.445 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -10.686 -1.342 13.082 1.00 0.00 N ATOM 0 H GLN A 100 -5.416 -1.262 11.750 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.977 0.860 10.400 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -6.920 -0.103 13.284 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.731 1.363 12.768 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.264 0.110 11.370 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -8.367 -1.374 11.622 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.965 -1.564 12.127 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -11.302 -1.575 13.861 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.305 2.607 10.867 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.313 3.638 11.113 1.00 0.00 C ATOM 1540 C GLY A 101 -4.925 5.022 11.199 1.00 0.00 C ATOM 1541 O GLY A 101 -5.514 5.510 10.234 1.00 0.00 O ATOM 0 H GLY A 101 -5.930 2.792 10.082 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.787 3.418 12.042 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.570 3.621 10.315 1.00 0.00 H new ATOM 1545 N THR A 102 -4.787 5.658 12.358 1.00 0.00 N ATOM 1546 CA THR A 102 -5.332 6.993 12.567 1.00 0.00 C ATOM 1547 C THR A 102 -4.270 8.062 12.344 1.00 0.00 C ATOM 1548 O THR A 102 -3.120 7.904 12.754 1.00 0.00 O ATOM 1549 CB THR A 102 -5.910 7.147 13.987 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.035 6.534 14.941 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.292 6.518 14.081 1.00 0.00 C ATOM 0 H THR A 102 -4.302 5.269 13.167 1.00 0.00 H new ATOM 0 HA THR A 102 -6.133 7.125 11.840 1.00 0.00 H new ATOM 0 HB THR A 102 -5.998 8.211 14.206 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.408 6.638 15.841 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.679 6.639 15.093 1.00 0.00 H new ATOM 0 HG22 THR A 102 -7.963 7.007 13.375 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.226 5.456 13.843 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.661 9.152 11.692 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.742 10.250 11.417 1.00 0.00 C ATOM 1561 C ALA A 103 -4.473 11.588 11.406 1.00 0.00 C ATOM 1562 O ALA A 103 -5.506 11.736 10.752 1.00 0.00 O ATOM 1563 CB ALA A 103 -3.032 10.023 10.090 1.00 0.00 C ATOM 0 H ALA A 103 -5.609 9.298 11.344 1.00 0.00 H new ATOM 0 HA ALA A 103 -2.999 10.278 12.214 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.349 10.850 9.897 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.470 9.090 10.133 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.768 9.966 9.288 1.00 0.00 H new ATOM 1569 N ARG A 104 -3.931 12.559 12.133 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.533 13.885 12.208 1.00 0.00 C ATOM 1571 C ARG A 104 -3.787 14.872 11.315 1.00 0.00 C ATOM 1572 O ARG A 104 -2.605 15.146 11.525 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.533 14.387 13.653 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.625 15.403 13.944 1.00 0.00 C ATOM 1575 CD ARG A 104 -5.505 15.961 15.354 1.00 0.00 C ATOM 1576 NE ARG A 104 -6.123 17.279 15.476 1.00 0.00 N ATOM 1577 CZ ARG A 104 -5.994 18.055 16.546 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -5.273 17.647 17.582 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -6.586 19.242 16.582 1.00 0.00 N ATOM 0 H ARG A 104 -3.076 12.453 12.679 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.562 13.810 11.857 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.651 13.536 14.324 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.564 14.835 13.873 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.567 16.218 13.223 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.602 14.935 13.818 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -5.976 15.274 16.057 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -4.452 16.027 15.629 1.00 0.00 H new ATOM 0 HE ARG A 104 -6.684 17.622 14.697 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -4.816 16.735 17.558 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -5.175 18.245 18.403 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -7.141 19.559 15.787 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -6.486 19.837 17.404 1.00 0.00 H new ATOM 1593 N THR A 105 -4.486 15.403 10.316 1.00 0.00 N ATOM 1594 CA THR A 105 -3.890 16.358 9.390 1.00 0.00 C ATOM 1595 C THR A 105 -3.487 17.642 10.107 1.00 0.00 C ATOM 1596 O THR A 105 -3.842 17.854 11.268 1.00 0.00 O ATOM 1597 CB THR A 105 -4.857 16.706 8.243 1.00 0.00 C ATOM 1598 OG1 THR A 105 -6.165 16.965 8.767 1.00 0.00 O ATOM 1599 CG2 THR A 105 -4.926 15.573 7.231 1.00 0.00 C ATOM 0 H THR A 105 -5.465 15.188 10.128 1.00 0.00 H new ATOM 0 HA THR A 105 -3.001 15.883 8.975 1.00 0.00 H new ATOM 0 HB THR A 105 -4.484 17.598 7.740 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.729 17.350 8.064 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.615 15.842 6.430 1.00 0.00 H new ATOM 0 HG22 THR A 105 -3.935 15.398 6.813 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.278 14.666 7.723 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.745 18.495 9.411 1.00 0.00 N ATOM 1608 CA LEU A 106 -2.295 19.760 9.981 1.00 0.00 C ATOM 1609 C LEU A 106 -3.196 20.908 9.540 1.00 0.00 C ATOM 1610 O LEU A 106 -3.901 20.807 8.536 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.850 20.043 9.566 1.00 0.00 C ATOM 1612 CG LEU A 106 0.167 18.946 9.886 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.483 19.214 9.172 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.385 18.842 11.388 1.00 0.00 C ATOM 0 H LEU A 106 -2.442 18.334 8.451 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.346 19.679 11.067 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.831 20.226 8.492 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.527 20.963 10.052 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.229 17.995 9.530 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.194 18.424 9.411 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.315 19.237 8.095 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.884 20.174 9.497 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.111 18.057 11.597 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.759 19.793 11.768 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.559 18.602 11.877 1.00 0.00 H new ATOM 1626 N SER A 107 -3.167 22.001 10.296 1.00 0.00 N ATOM 1627 CA SER A 107 -3.983 23.169 9.984 1.00 0.00 C ATOM 1628 C SER A 107 -3.341 24.000 8.878 1.00 0.00 C ATOM 1629 O SER A 107 -4.030 24.543 8.015 1.00 0.00 O ATOM 1630 CB SER A 107 -4.180 24.028 11.235 1.00 0.00 C ATOM 1631 OG SER A 107 -2.934 24.406 11.795 1.00 0.00 O ATOM 0 H SER A 107 -2.587 22.102 11.129 1.00 0.00 H new ATOM 0 HA SER A 107 -4.955 22.820 9.635 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.754 24.919 10.981 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.761 23.474 11.973 1.00 0.00 H new ATOM 0 HG SER A 107 -3.087 24.955 12.592 1.00 0.00 H new