USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 420 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 MET CE :methyl -155:sc= -0.622 (180deg=-1.42!) USER MOD Set 1.2: A 48 MET CE :methyl 166:sc= -4.71! (180deg=-5.55!) USER MOD Set 2.1: A 20 THR OG1 : rot 86:sc= 0.713 USER MOD Set 2.2: A 51 TYR OH : rot -121:sc= -0.305 USER MOD Single : A 11 THR OG1 : rot 180:sc= -2.13! USER MOD Single : A 14 GLN : amide:sc= -0.577 X(o=-0.58,f=-0.38) USER MOD Single : A 16 LYS NZ :NH3+ 169:sc= -1.84! (180deg=-2.25!) USER MOD Single : A 18 GLN : amide:sc= -1.67 K(o=-1.7,f=-4.5!) USER MOD Single : A 22 SER OG : rot 100:sc= 1.26 USER MOD Single : A 24 LYS NZ :NH3+ -156:sc= 1.3 (180deg=1.21) USER MOD Single : A 25 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0162) USER MOD Single : A 30 THR OG1 : rot -78:sc= 1.03 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -1.86 K(o=-1.9,f=0) USER MOD Single : A 52 TYR OH : rot 179:sc= 0.0579 USER MOD Single : A 58 GLN : amide:sc= -0.018 X(o=-0.018,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 139 N LEU A 10 -10.417 8.259 4.969 1.00 0.00 N ATOM 140 CA LEU A 10 -10.889 7.906 3.671 1.00 0.00 C ATOM 141 C LEU A 10 -11.670 6.625 3.761 1.00 0.00 C ATOM 142 O LEU A 10 -11.867 6.092 4.851 1.00 0.00 O ATOM 143 CB LEU A 10 -9.705 7.714 2.687 1.00 0.00 C ATOM 144 CG LEU A 10 -8.444 8.603 2.852 1.00 0.00 C ATOM 145 CD1 LEU A 10 -7.553 8.089 3.973 1.00 0.00 C ATOM 146 CD2 LEU A 10 -7.655 8.672 1.558 1.00 0.00 C ATOM 0 HA LEU A 10 -11.524 8.711 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.386 6.674 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.087 7.867 1.678 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.784 9.606 3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.677 8.731 4.065 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -8.108 8.095 4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -7.234 7.072 3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.776 9.301 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.340 7.669 1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -8.281 9.096 0.772 1.00 0.00 H new ATOM 158 N THR A 11 -12.109 6.126 2.646 1.00 0.00 N ATOM 159 CA THR A 11 -12.843 4.911 2.646 1.00 0.00 C ATOM 160 C THR A 11 -11.927 3.780 2.243 1.00 0.00 C ATOM 161 O THR A 11 -10.777 4.026 1.844 1.00 0.00 O ATOM 162 CB THR A 11 -14.060 4.991 1.704 1.00 0.00 C ATOM 163 OG1 THR A 11 -13.614 5.223 0.358 1.00 0.00 O ATOM 164 CG2 THR A 11 -14.983 6.127 2.117 1.00 0.00 C ATOM 0 H THR A 11 -11.969 6.546 1.727 1.00 0.00 H new ATOM 0 HA THR A 11 -13.225 4.729 3.651 1.00 0.00 H new ATOM 0 HB THR A 11 -14.603 4.048 1.763 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.389 5.272 -0.240 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.836 6.167 1.440 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.335 5.958 3.135 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.440 7.071 2.073 1.00 0.00 H new ATOM 172 N PHE A 12 -12.424 2.558 2.324 1.00 0.00 N ATOM 173 CA PHE A 12 -11.630 1.393 1.972 1.00 0.00 C ATOM 174 C PHE A 12 -11.178 1.472 0.523 1.00 0.00 C ATOM 175 O PHE A 12 -10.044 1.173 0.163 1.00 0.00 O ATOM 176 CB PHE A 12 -12.405 0.090 2.236 1.00 0.00 C ATOM 177 CG PHE A 12 -11.651 -1.159 1.852 1.00 0.00 C ATOM 178 CD1 PHE A 12 -12.169 -2.056 0.934 1.00 0.00 C ATOM 179 CD2 PHE A 12 -10.421 -1.424 2.406 1.00 0.00 C ATOM 180 CE1 PHE A 12 -11.468 -3.201 0.592 1.00 0.00 C ATOM 181 CE2 PHE A 12 -9.718 -2.560 2.066 1.00 0.00 C ATOM 182 CZ PHE A 12 -10.234 -3.447 1.166 1.00 0.00 C ATOM 0 H PHE A 12 -13.374 2.346 2.630 1.00 0.00 H new ATOM 0 HA PHE A 12 -10.744 1.385 2.607 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -12.659 0.038 3.295 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -13.344 0.119 1.684 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -13.129 -1.861 0.480 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -9.999 -0.731 3.119 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.884 -3.899 -0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -8.754 -2.749 2.514 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.681 -4.337 0.903 1.00 0.00 H new ATOM 192 N ASP A 13 -12.091 1.987 -0.255 1.00 0.00 N ATOM 193 CA ASP A 13 -11.875 2.235 -1.666 1.00 0.00 C ATOM 194 C ASP A 13 -10.812 3.256 -1.877 1.00 0.00 C ATOM 195 O ASP A 13 -9.918 3.068 -2.690 1.00 0.00 O ATOM 196 CB ASP A 13 -13.139 2.685 -2.333 1.00 0.00 C ATOM 197 CG ASP A 13 -13.035 2.640 -3.839 1.00 0.00 C ATOM 198 OD1 ASP A 13 -13.512 3.562 -4.497 1.00 0.00 O ATOM 199 OD2 ASP A 13 -12.472 1.654 -4.376 1.00 0.00 O ATOM 0 H ASP A 13 -13.020 2.252 0.072 1.00 0.00 H new ATOM 0 HA ASP A 13 -11.553 1.294 -2.113 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -13.965 2.052 -2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -13.373 3.701 -2.017 1.00 0.00 H new ATOM 204 N GLN A 14 -10.845 4.289 -1.058 1.00 0.00 N ATOM 205 CA GLN A 14 -9.947 5.396 -1.236 1.00 0.00 C ATOM 206 C GLN A 14 -8.568 5.053 -0.759 1.00 0.00 C ATOM 207 O GLN A 14 -7.573 5.527 -1.283 1.00 0.00 O ATOM 208 CB GLN A 14 -10.455 6.684 -0.614 1.00 0.00 C ATOM 209 CG GLN A 14 -11.765 7.171 -1.194 1.00 0.00 C ATOM 210 CD GLN A 14 -11.717 7.185 -2.697 1.00 0.00 C ATOM 211 OE1 GLN A 14 -11.328 8.161 -3.326 1.00 0.00 O ATOM 212 NE2 GLN A 14 -12.126 6.105 -3.276 1.00 0.00 N ATOM 0 H GLN A 14 -11.484 4.378 -0.268 1.00 0.00 H new ATOM 0 HA GLN A 14 -9.897 5.586 -2.308 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -10.577 6.534 0.459 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -9.701 7.460 -0.743 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -12.577 6.526 -0.859 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -11.980 8.173 -0.824 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -12.442 5.314 -2.715 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -12.133 6.043 -4.294 1.00 0.00 H new ATOM 221 N VAL A 15 -8.519 4.246 0.269 1.00 0.00 N ATOM 222 CA VAL A 15 -7.277 3.847 0.846 1.00 0.00 C ATOM 223 C VAL A 15 -6.602 2.907 -0.084 1.00 0.00 C ATOM 224 O VAL A 15 -5.384 2.963 -0.269 1.00 0.00 O ATOM 225 CB VAL A 15 -7.412 3.273 2.264 1.00 0.00 C ATOM 226 CG1 VAL A 15 -6.101 2.675 2.681 1.00 0.00 C ATOM 227 CG2 VAL A 15 -7.750 4.386 3.225 1.00 0.00 C ATOM 0 H VAL A 15 -9.342 3.851 0.724 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.661 4.736 0.978 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.196 2.516 2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.191 2.266 3.687 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.828 1.879 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.330 3.445 2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.846 3.980 4.232 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.957 5.134 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.691 4.849 2.929 1.00 0.00 H new ATOM 237 N LYS A 16 -7.376 2.058 -0.688 1.00 0.00 N ATOM 238 CA LYS A 16 -6.881 1.224 -1.717 1.00 0.00 C ATOM 239 C LYS A 16 -6.281 2.091 -2.798 1.00 0.00 C ATOM 240 O LYS A 16 -5.190 1.865 -3.222 1.00 0.00 O ATOM 241 CB LYS A 16 -7.990 0.396 -2.302 1.00 0.00 C ATOM 242 CG LYS A 16 -8.407 -0.825 -1.514 1.00 0.00 C ATOM 243 CD LYS A 16 -9.389 -1.730 -2.291 1.00 0.00 C ATOM 244 CE LYS A 16 -10.704 -1.034 -2.690 1.00 0.00 C ATOM 245 NZ LYS A 16 -10.563 -0.095 -3.847 1.00 0.00 N ATOM 0 H LYS A 16 -8.365 1.931 -0.475 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.126 0.554 -1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.864 1.036 -2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.686 0.072 -3.297 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.521 -1.401 -1.249 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.872 -0.508 -0.581 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.895 -2.094 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.623 -2.602 -1.681 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.445 -1.793 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.088 -0.483 -1.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.506 0.192 -4.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.030 0.747 -3.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.055 -0.570 -4.620 1.00 0.00 H new ATOM 259 N GLU A 17 -6.984 3.123 -3.180 1.00 0.00 N ATOM 260 CA GLU A 17 -6.476 4.037 -4.160 1.00 0.00 C ATOM 261 C GLU A 17 -5.195 4.774 -3.721 1.00 0.00 C ATOM 262 O GLU A 17 -4.364 5.092 -4.572 1.00 0.00 O ATOM 263 CB GLU A 17 -7.553 4.977 -4.679 1.00 0.00 C ATOM 264 CG GLU A 17 -8.619 4.243 -5.478 1.00 0.00 C ATOM 265 CD GLU A 17 -9.638 5.153 -6.083 1.00 0.00 C ATOM 266 OE1 GLU A 17 -10.795 5.162 -5.641 1.00 0.00 O ATOM 267 OE2 GLU A 17 -9.317 5.861 -7.043 1.00 0.00 O ATOM 0 H GLU A 17 -7.913 3.350 -2.825 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.164 3.421 -5.003 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -8.020 5.491 -3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -7.094 5.742 -5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -8.138 3.670 -6.271 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.122 3.528 -4.827 1.00 0.00 H new ATOM 274 N GLN A 18 -4.982 4.986 -2.388 1.00 0.00 N ATOM 275 CA GLN A 18 -3.774 5.667 -1.941 1.00 0.00 C ATOM 276 C GLN A 18 -2.617 4.744 -2.175 1.00 0.00 C ATOM 277 O GLN A 18 -1.592 5.101 -2.768 1.00 0.00 O ATOM 278 CB GLN A 18 -3.862 6.211 -0.473 1.00 0.00 C ATOM 279 CG GLN A 18 -3.643 5.218 0.643 1.00 0.00 C ATOM 280 CD GLN A 18 -3.600 5.866 2.016 1.00 0.00 C ATOM 281 OE1 GLN A 18 -2.550 6.257 2.490 1.00 0.00 O ATOM 282 NE2 GLN A 18 -4.726 5.984 2.659 1.00 0.00 N ATOM 0 H GLN A 18 -5.618 4.699 -1.644 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.634 6.576 -2.525 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -3.128 7.010 -0.364 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.846 6.661 -0.337 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.441 4.476 0.623 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.708 4.686 0.469 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -5.592 5.647 2.238 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.742 6.413 3.584 1.00 0.00 H new ATOM 291 N LEU A 19 -2.827 3.549 -1.749 1.00 0.00 N ATOM 292 CA LEU A 19 -1.893 2.497 -1.819 1.00 0.00 C ATOM 293 C LEU A 19 -1.614 2.089 -3.250 1.00 0.00 C ATOM 294 O LEU A 19 -0.461 1.949 -3.645 1.00 0.00 O ATOM 295 CB LEU A 19 -2.447 1.353 -1.043 1.00 0.00 C ATOM 296 CG LEU A 19 -2.423 1.464 0.485 1.00 0.00 C ATOM 297 CD1 LEU A 19 -3.109 0.276 1.101 1.00 0.00 C ATOM 298 CD2 LEU A 19 -0.997 1.583 1.012 1.00 0.00 C ATOM 0 H LEU A 19 -3.709 3.270 -1.318 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.941 2.822 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.481 1.203 -1.354 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.896 0.456 -1.325 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.959 2.371 0.765 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.086 0.365 2.187 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.144 0.237 0.762 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.595 -0.637 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.016 1.660 2.099 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.427 0.701 0.721 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.528 2.473 0.593 1.00 0.00 H new ATOM 310 N THR A 20 -2.675 1.969 -4.017 1.00 0.00 N ATOM 311 CA THR A 20 -2.602 1.589 -5.406 1.00 0.00 C ATOM 312 C THR A 20 -1.734 2.553 -6.163 1.00 0.00 C ATOM 313 O THR A 20 -0.747 2.145 -6.744 1.00 0.00 O ATOM 314 CB THR A 20 -4.021 1.557 -6.047 1.00 0.00 C ATOM 315 OG1 THR A 20 -4.781 0.456 -5.531 1.00 0.00 O ATOM 316 CG2 THR A 20 -3.975 1.519 -7.579 1.00 0.00 C ATOM 0 H THR A 20 -3.625 2.136 -3.686 1.00 0.00 H new ATOM 0 HA THR A 20 -2.169 0.590 -5.460 1.00 0.00 H new ATOM 0 HB THR A 20 -4.517 2.488 -5.772 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.216 0.722 -4.694 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.991 1.498 -7.973 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.461 2.406 -7.950 1.00 0.00 H new ATOM 0 HG23 THR A 20 -3.441 0.627 -7.905 1.00 0.00 H new ATOM 324 N GLU A 21 -2.036 3.827 -6.038 1.00 0.00 N ATOM 325 CA GLU A 21 -1.367 4.870 -6.794 1.00 0.00 C ATOM 326 C GLU A 21 0.122 4.887 -6.451 1.00 0.00 C ATOM 327 O GLU A 21 0.977 4.939 -7.327 1.00 0.00 O ATOM 328 CB GLU A 21 -2.034 6.192 -6.447 1.00 0.00 C ATOM 329 CG GLU A 21 -1.571 7.401 -7.241 1.00 0.00 C ATOM 330 CD GLU A 21 -1.927 7.303 -8.701 1.00 0.00 C ATOM 331 OE1 GLU A 21 -1.046 7.003 -9.523 1.00 0.00 O ATOM 332 OE2 GLU A 21 -3.105 7.529 -9.054 1.00 0.00 O ATOM 0 H GLU A 21 -2.757 4.173 -5.405 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.450 4.692 -7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.109 6.081 -6.586 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.869 6.393 -5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.019 8.301 -6.821 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.491 7.506 -7.140 1.00 0.00 H new ATOM 339 N SER A 22 0.394 4.766 -5.171 1.00 0.00 N ATOM 340 CA SER A 22 1.760 4.758 -4.667 1.00 0.00 C ATOM 341 C SER A 22 2.519 3.548 -5.235 1.00 0.00 C ATOM 342 O SER A 22 3.614 3.684 -5.783 1.00 0.00 O ATOM 343 CB SER A 22 1.752 4.721 -3.135 1.00 0.00 C ATOM 344 OG SER A 22 0.959 5.788 -2.605 1.00 0.00 O ATOM 0 H SER A 22 -0.319 4.670 -4.448 1.00 0.00 H new ATOM 0 HA SER A 22 2.268 5.668 -4.988 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.358 3.764 -2.792 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.772 4.799 -2.760 1.00 0.00 H new ATOM 0 HG SER A 22 0.078 5.444 -2.347 1.00 0.00 H new ATOM 350 N GLY A 23 1.889 2.377 -5.174 1.00 0.00 N ATOM 351 CA GLY A 23 2.482 1.161 -5.674 1.00 0.00 C ATOM 352 C GLY A 23 2.695 1.199 -7.162 1.00 0.00 C ATOM 353 O GLY A 23 3.661 0.669 -7.663 1.00 0.00 O ATOM 0 H GLY A 23 0.958 2.255 -4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.438 0.994 -5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 23 1.840 0.317 -5.423 1.00 0.00 H new ATOM 357 N LYS A 24 1.764 1.831 -7.852 1.00 0.00 N ATOM 358 CA LYS A 24 1.839 1.998 -9.303 1.00 0.00 C ATOM 359 C LYS A 24 3.048 2.825 -9.698 1.00 0.00 C ATOM 360 O LYS A 24 3.650 2.602 -10.752 1.00 0.00 O ATOM 361 CB LYS A 24 0.585 2.680 -9.809 1.00 0.00 C ATOM 362 CG LYS A 24 -0.708 1.874 -9.658 1.00 0.00 C ATOM 363 CD LYS A 24 -0.925 0.818 -10.735 1.00 0.00 C ATOM 364 CE LYS A 24 -0.936 1.440 -12.113 1.00 0.00 C ATOM 365 NZ LYS A 24 -1.522 0.564 -13.139 1.00 0.00 N ATOM 0 H LYS A 24 0.933 2.245 -7.429 1.00 0.00 H new ATOM 0 HA LYS A 24 1.932 1.008 -9.750 1.00 0.00 H new ATOM 0 HB2 LYS A 24 0.467 3.626 -9.280 1.00 0.00 H new ATOM 0 HB3 LYS A 24 0.723 2.920 -10.863 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.705 1.385 -8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -1.553 2.562 -9.667 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -0.136 0.068 -10.677 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -1.869 0.302 -10.558 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -1.497 2.374 -12.079 1.00 0.00 H new ATOM 0 HE3 LYS A 24 0.085 1.692 -12.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.155 0.831 -14.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.269 -0.424 -12.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -2.557 0.665 -13.132 1.00 0.00 H new ATOM 379 N LYS A 25 3.393 3.788 -8.862 1.00 0.00 N ATOM 380 CA LYS A 25 4.525 4.656 -9.093 1.00 0.00 C ATOM 381 C LYS A 25 5.816 3.920 -8.820 1.00 0.00 C ATOM 382 O LYS A 25 6.772 4.002 -9.587 1.00 0.00 O ATOM 383 CB LYS A 25 4.438 5.878 -8.177 1.00 0.00 C ATOM 384 CG LYS A 25 3.223 6.765 -8.403 1.00 0.00 C ATOM 385 CD LYS A 25 3.089 7.805 -7.296 1.00 0.00 C ATOM 386 CE LYS A 25 4.255 8.789 -7.254 1.00 0.00 C ATOM 387 NZ LYS A 25 4.297 9.671 -8.441 1.00 0.00 N ATOM 0 H LYS A 25 2.889 3.988 -7.998 1.00 0.00 H new ATOM 0 HA LYS A 25 4.509 4.976 -10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.433 5.538 -7.142 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.338 6.479 -8.311 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.308 7.265 -9.368 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.323 6.151 -8.441 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.160 8.358 -7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 25 3.016 7.296 -6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.178 9.400 -6.354 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.191 8.235 -7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.076 10.353 -8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.449 9.097 -9.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.396 10.184 -8.524 1.00 0.00 H new ATOM 401 N ARG A 26 5.817 3.173 -7.738 1.00 0.00 N ATOM 402 CA ARG A 26 7.024 2.494 -7.275 1.00 0.00 C ATOM 403 C ARG A 26 7.297 1.250 -8.085 1.00 0.00 C ATOM 404 O ARG A 26 8.411 0.983 -8.531 1.00 0.00 O ATOM 405 CB ARG A 26 6.893 2.043 -5.828 1.00 0.00 C ATOM 406 CG ARG A 26 6.550 3.099 -4.813 1.00 0.00 C ATOM 407 CD ARG A 26 6.428 2.442 -3.463 1.00 0.00 C ATOM 408 NE ARG A 26 5.919 3.317 -2.418 1.00 0.00 N ATOM 409 CZ ARG A 26 5.557 2.857 -1.213 1.00 0.00 C ATOM 410 NH1 ARG A 26 5.965 1.659 -0.808 1.00 0.00 N ATOM 411 NH2 ARG A 26 4.875 3.622 -0.376 1.00 0.00 N ATOM 0 H ARG A 26 4.995 3.015 -7.155 1.00 0.00 H new ATOM 0 HA ARG A 26 7.832 3.218 -7.383 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.128 1.268 -5.782 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.834 1.580 -5.531 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.322 3.869 -4.791 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.615 3.592 -5.080 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.770 1.578 -3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.407 2.068 -3.163 1.00 0.00 H new ATOM 0 HE ARG A 26 5.835 4.315 -2.609 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.554 1.089 -1.415 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.689 1.310 0.110 1.00 0.00 H new ATOM 0 HH21 ARG A 26 4.620 4.572 -0.646 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.604 3.262 0.539 1.00 0.00 H new ATOM 425 N GLY A 27 6.236 0.491 -8.251 1.00 0.00 N ATOM 426 CA GLY A 27 6.269 -0.783 -8.887 1.00 0.00 C ATOM 427 C GLY A 27 6.204 -1.846 -7.846 1.00 0.00 C ATOM 428 O GLY A 27 6.295 -3.032 -8.141 1.00 0.00 O ATOM 0 H GLY A 27 5.305 0.762 -7.934 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.432 -0.881 -9.578 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.181 -0.887 -9.475 1.00 0.00 H new ATOM 432 N VAL A 28 5.998 -1.420 -6.609 1.00 0.00 N ATOM 433 CA VAL A 28 6.015 -2.302 -5.490 1.00 0.00 C ATOM 434 C VAL A 28 5.386 -1.620 -4.278 1.00 0.00 C ATOM 435 O VAL A 28 5.208 -0.399 -4.280 1.00 0.00 O ATOM 436 CB VAL A 28 7.470 -2.721 -5.187 1.00 0.00 C ATOM 437 CG1 VAL A 28 8.323 -1.583 -4.667 1.00 0.00 C ATOM 438 CG2 VAL A 28 7.539 -3.910 -4.309 1.00 0.00 C ATOM 0 H VAL A 28 5.815 -0.446 -6.370 1.00 0.00 H new ATOM 0 HA VAL A 28 5.433 -3.194 -5.720 1.00 0.00 H new ATOM 0 HB VAL A 28 7.901 -3.005 -6.147 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.333 -1.944 -4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.358 -0.786 -5.410 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.892 -1.199 -3.742 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.582 -4.166 -4.125 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.046 -3.692 -3.362 1.00 0.00 H new ATOM 0 HG23 VAL A 28 7.040 -4.749 -4.793 1.00 0.00 H new ATOM 448 N LEU A 29 4.988 -2.425 -3.322 1.00 0.00 N ATOM 449 CA LEU A 29 4.439 -2.001 -2.062 1.00 0.00 C ATOM 450 C LEU A 29 4.797 -3.005 -0.990 1.00 0.00 C ATOM 451 O LEU A 29 4.920 -4.206 -1.282 1.00 0.00 O ATOM 452 CB LEU A 29 2.920 -1.916 -2.134 1.00 0.00 C ATOM 453 CG LEU A 29 2.304 -0.669 -2.752 1.00 0.00 C ATOM 454 CD1 LEU A 29 0.797 -0.813 -2.812 1.00 0.00 C ATOM 455 CD2 LEU A 29 2.673 0.570 -1.954 1.00 0.00 C ATOM 0 H LEU A 29 5.042 -3.440 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 29 4.851 -1.019 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.563 -2.779 -2.696 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.531 -2.013 -1.120 1.00 0.00 H new ATOM 0 HG LEU A 29 2.697 -0.557 -3.762 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.363 0.083 -3.255 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.538 -1.680 -3.420 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.404 -0.946 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.221 1.448 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.306 0.468 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.757 0.685 -1.941 1.00 0.00 H new ATOM 467 N THR A 30 4.998 -2.538 0.219 1.00 0.00 N ATOM 468 CA THR A 30 5.205 -3.421 1.343 1.00 0.00 C ATOM 469 C THR A 30 3.864 -3.946 1.842 1.00 0.00 C ATOM 470 O THR A 30 2.862 -3.226 1.797 1.00 0.00 O ATOM 471 CB THR A 30 5.919 -2.711 2.519 1.00 0.00 C ATOM 472 OG1 THR A 30 5.211 -1.552 2.933 1.00 0.00 O ATOM 473 CG2 THR A 30 7.329 -2.345 2.184 1.00 0.00 C ATOM 0 H THR A 30 5.023 -1.545 0.451 1.00 0.00 H new ATOM 0 HA THR A 30 5.838 -4.238 0.995 1.00 0.00 H new ATOM 0 HB THR A 30 5.939 -3.427 3.341 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.394 -0.817 2.311 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.789 -1.850 3.039 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.891 -3.247 1.941 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.336 -1.671 1.327 1.00 0.00 H new ATOM 481 N TYR A 31 3.839 -5.184 2.324 1.00 0.00 N ATOM 482 CA TYR A 31 2.603 -5.760 2.881 1.00 0.00 C ATOM 483 C TYR A 31 2.153 -4.934 4.069 1.00 0.00 C ATOM 484 O TYR A 31 0.960 -4.669 4.260 1.00 0.00 O ATOM 485 CB TYR A 31 2.806 -7.187 3.401 1.00 0.00 C ATOM 486 CG TYR A 31 3.231 -8.233 2.408 1.00 0.00 C ATOM 487 CD1 TYR A 31 4.427 -8.909 2.577 1.00 0.00 C ATOM 488 CD2 TYR A 31 2.428 -8.578 1.334 1.00 0.00 C ATOM 489 CE1 TYR A 31 4.813 -9.898 1.712 1.00 0.00 C ATOM 490 CE2 TYR A 31 2.810 -9.565 0.454 1.00 0.00 C ATOM 491 CZ TYR A 31 4.007 -10.224 0.653 1.00 0.00 C ATOM 492 OH TYR A 31 4.389 -11.231 -0.192 1.00 0.00 O ATOM 0 H TYR A 31 4.646 -5.808 2.344 1.00 0.00 H new ATOM 0 HA TYR A 31 1.871 -5.765 2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.553 -7.153 4.194 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.872 -7.515 3.856 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.068 -8.651 3.407 1.00 0.00 H new ATOM 0 HD2 TYR A 31 1.489 -8.066 1.185 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.747 -10.418 1.864 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.179 -9.822 -0.384 1.00 0.00 H new ATOM 0 HH TYR A 31 3.713 -11.344 -0.892 1.00 0.00 H new ATOM 502 N GLU A 32 3.133 -4.502 4.834 1.00 0.00 N ATOM 503 CA GLU A 32 2.913 -3.821 6.073 1.00 0.00 C ATOM 504 C GLU A 32 2.207 -2.481 5.914 1.00 0.00 C ATOM 505 O GLU A 32 1.265 -2.214 6.644 1.00 0.00 O ATOM 506 CB GLU A 32 4.212 -3.684 6.845 1.00 0.00 C ATOM 507 CG GLU A 32 4.033 -3.140 8.242 1.00 0.00 C ATOM 508 CD GLU A 32 5.277 -3.264 9.064 1.00 0.00 C ATOM 509 OE1 GLU A 32 5.629 -4.413 9.442 1.00 0.00 O ATOM 510 OE2 GLU A 32 5.909 -2.236 9.379 1.00 0.00 O ATOM 0 H GLU A 32 4.119 -4.621 4.600 1.00 0.00 H new ATOM 0 HA GLU A 32 2.228 -4.441 6.652 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.694 -4.660 6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.885 -3.028 6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.740 -2.092 8.186 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.220 -3.672 8.735 1.00 0.00 H new ATOM 517 N GLU A 33 2.591 -1.671 4.924 1.00 0.00 N ATOM 518 CA GLU A 33 1.979 -0.343 4.795 1.00 0.00 C ATOM 519 C GLU A 33 0.561 -0.487 4.307 1.00 0.00 C ATOM 520 O GLU A 33 -0.323 0.326 4.616 1.00 0.00 O ATOM 521 CB GLU A 33 2.787 0.574 3.879 1.00 0.00 C ATOM 522 CG GLU A 33 2.765 0.220 2.417 1.00 0.00 C ATOM 523 CD GLU A 33 3.774 1.011 1.663 1.00 0.00 C ATOM 524 OE1 GLU A 33 4.752 0.401 1.177 1.00 0.00 O ATOM 525 OE2 GLU A 33 3.649 2.267 1.593 1.00 0.00 O ATOM 0 H GLU A 33 3.296 -1.897 4.223 1.00 0.00 H new ATOM 0 HA GLU A 33 1.973 0.127 5.778 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.414 1.592 3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.823 0.575 4.218 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.965 -0.844 2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.772 0.407 2.009 1.00 0.00 H new ATOM 532 N ILE A 34 0.342 -1.560 3.585 1.00 0.00 N ATOM 533 CA ILE A 34 -0.938 -1.889 3.081 1.00 0.00 C ATOM 534 C ILE A 34 -1.872 -2.252 4.219 1.00 0.00 C ATOM 535 O ILE A 34 -3.003 -1.774 4.273 1.00 0.00 O ATOM 536 CB ILE A 34 -0.851 -3.003 2.033 1.00 0.00 C ATOM 537 CG1 ILE A 34 -0.048 -2.507 0.830 1.00 0.00 C ATOM 538 CG2 ILE A 34 -2.236 -3.420 1.608 1.00 0.00 C ATOM 539 CD1 ILE A 34 0.247 -3.571 -0.188 1.00 0.00 C ATOM 0 H ILE A 34 1.070 -2.229 3.336 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.350 -1.015 2.577 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.348 -3.869 2.463 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.598 -1.699 0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.893 -2.085 1.183 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.165 -4.212 0.863 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.788 -3.785 2.474 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.758 -2.565 1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.819 -3.140 -1.009 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.825 -4.369 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.689 -3.977 -0.572 1.00 0.00 H new ATOM 551 N ALA A 35 -1.366 -3.030 5.186 1.00 0.00 N ATOM 552 CA ALA A 35 -2.105 -3.431 6.358 1.00 0.00 C ATOM 553 C ALA A 35 -2.342 -2.227 7.253 1.00 0.00 C ATOM 554 O ALA A 35 -3.399 -2.064 7.846 1.00 0.00 O ATOM 555 CB ALA A 35 -1.356 -4.523 7.112 1.00 0.00 C ATOM 0 H ALA A 35 -0.414 -3.397 5.161 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.070 -3.834 6.049 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.927 -4.814 7.993 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.224 -5.389 6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.380 -4.149 7.420 1.00 0.00 H new ATOM 561 N GLU A 36 -1.325 -1.371 7.286 1.00 0.00 N ATOM 562 CA GLU A 36 -1.237 -0.205 8.137 1.00 0.00 C ATOM 563 C GLU A 36 -2.370 0.752 7.873 1.00 0.00 C ATOM 564 O GLU A 36 -3.042 1.195 8.803 1.00 0.00 O ATOM 565 CB GLU A 36 0.174 0.425 7.949 1.00 0.00 C ATOM 566 CG GLU A 36 0.533 1.649 8.790 1.00 0.00 C ATOM 567 CD GLU A 36 0.209 2.957 8.114 1.00 0.00 C ATOM 568 OE1 GLU A 36 1.027 3.433 7.269 1.00 0.00 O ATOM 569 OE2 GLU A 36 -0.827 3.552 8.420 1.00 0.00 O ATOM 0 H GLU A 36 -0.505 -1.483 6.690 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.348 -0.482 9.185 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.914 -0.349 8.153 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.280 0.699 6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.000 1.597 9.739 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.598 1.622 9.021 1.00 0.00 H new ATOM 576 N ARG A 37 -2.632 1.034 6.612 1.00 0.00 N ATOM 577 CA ARG A 37 -3.728 1.914 6.249 1.00 0.00 C ATOM 578 C ARG A 37 -5.071 1.233 6.464 1.00 0.00 C ATOM 579 O ARG A 37 -6.063 1.875 6.819 1.00 0.00 O ATOM 580 CB ARG A 37 -3.573 2.386 4.805 1.00 0.00 C ATOM 581 CG ARG A 37 -2.258 3.077 4.544 1.00 0.00 C ATOM 582 CD ARG A 37 -2.143 4.340 5.378 1.00 0.00 C ATOM 583 NE ARG A 37 -0.759 4.771 5.579 1.00 0.00 N ATOM 584 CZ ARG A 37 -0.323 6.016 5.458 1.00 0.00 C ATOM 585 NH1 ARG A 37 -1.005 6.916 4.775 1.00 0.00 N ATOM 586 NH2 ARG A 37 0.844 6.350 5.963 1.00 0.00 N ATOM 0 H ARG A 37 -2.102 0.667 5.821 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.697 2.788 6.899 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.665 1.529 4.138 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.389 3.067 4.563 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.434 2.403 4.779 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.175 3.325 3.486 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.700 5.141 4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.609 4.171 6.349 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.076 4.057 5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.885 6.658 4.328 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.652 7.870 4.694 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.410 5.652 6.446 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.184 7.307 5.872 1.00 0.00 H new ATOM 600 N MET A 38 -5.095 -0.074 6.331 1.00 0.00 N ATOM 601 CA MET A 38 -6.330 -0.813 6.496 1.00 0.00 C ATOM 602 C MET A 38 -6.600 -1.106 7.959 1.00 0.00 C ATOM 603 O MET A 38 -7.594 -1.738 8.295 1.00 0.00 O ATOM 604 CB MET A 38 -6.340 -2.101 5.686 1.00 0.00 C ATOM 605 CG MET A 38 -6.097 -1.894 4.212 1.00 0.00 C ATOM 606 SD MET A 38 -7.248 -0.741 3.459 1.00 0.00 S ATOM 607 CE MET A 38 -6.686 -0.810 1.764 1.00 0.00 C ATOM 0 H MET A 38 -4.280 -0.646 6.110 1.00 0.00 H new ATOM 0 HA MET A 38 -7.130 -0.179 6.114 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.577 -2.773 6.080 1.00 0.00 H new ATOM 0 HB3 MET A 38 -7.302 -2.596 5.820 1.00 0.00 H new ATOM 0 HG2 MET A 38 -5.080 -1.529 4.066 1.00 0.00 H new ATOM 0 HG3 MET A 38 -6.168 -2.854 3.701 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.953 0.116 1.254 1.00 0.00 H new ATOM 0 HE2 MET A 38 -5.603 -0.936 1.744 1.00 0.00 H new ATOM 0 HE3 MET A 38 -7.158 -1.652 1.258 1.00 0.00 H new ATOM 617 N SER A 39 -5.728 -0.607 8.823 1.00 0.00 N ATOM 618 CA SER A 39 -5.869 -0.761 10.250 1.00 0.00 C ATOM 619 C SER A 39 -6.914 0.260 10.757 1.00 0.00 C ATOM 620 O SER A 39 -7.369 0.209 11.903 1.00 0.00 O ATOM 621 CB SER A 39 -4.501 -0.561 10.921 1.00 0.00 C ATOM 622 OG SER A 39 -4.488 -1.018 12.259 1.00 0.00 O ATOM 0 H SER A 39 -4.900 -0.081 8.544 1.00 0.00 H new ATOM 0 HA SER A 39 -6.218 -1.763 10.501 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.738 -1.091 10.351 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.239 0.497 10.898 1.00 0.00 H new ATOM 0 HG SER A 39 -3.599 -0.873 12.646 1.00 0.00 H new ATOM 628 N SER A 40 -7.273 1.203 9.884 1.00 0.00 N ATOM 629 CA SER A 40 -8.359 2.121 10.152 1.00 0.00 C ATOM 630 C SER A 40 -9.655 1.326 10.062 1.00 0.00 C ATOM 631 O SER A 40 -10.592 1.499 10.847 1.00 0.00 O ATOM 632 CB SER A 40 -8.344 3.256 9.108 1.00 0.00 C ATOM 633 OG SER A 40 -9.439 4.145 9.261 1.00 0.00 O ATOM 0 H SER A 40 -6.818 1.344 8.982 1.00 0.00 H new ATOM 0 HA SER A 40 -8.262 2.572 11.140 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.412 3.814 9.195 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.366 2.826 8.107 1.00 0.00 H new ATOM 0 HG SER A 40 -9.387 4.848 8.580 1.00 0.00 H new ATOM 639 N PHE A 41 -9.653 0.420 9.129 1.00 0.00 N ATOM 640 CA PHE A 41 -10.757 -0.427 8.850 1.00 0.00 C ATOM 641 C PHE A 41 -10.576 -1.729 9.576 1.00 0.00 C ATOM 642 O PHE A 41 -9.660 -1.898 10.377 1.00 0.00 O ATOM 643 CB PHE A 41 -10.827 -0.655 7.346 1.00 0.00 C ATOM 644 CG PHE A 41 -10.750 0.610 6.573 1.00 0.00 C ATOM 645 CD1 PHE A 41 -9.708 0.821 5.708 1.00 0.00 C ATOM 646 CD2 PHE A 41 -11.681 1.608 6.757 1.00 0.00 C ATOM 647 CE1 PHE A 41 -9.588 1.998 5.034 1.00 0.00 C ATOM 648 CE2 PHE A 41 -11.576 2.794 6.076 1.00 0.00 C ATOM 649 CZ PHE A 41 -10.524 2.989 5.216 1.00 0.00 C ATOM 0 H PHE A 41 -8.850 0.251 8.524 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.687 0.031 9.186 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -10.011 -1.312 7.043 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.757 -1.169 7.103 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.973 0.044 5.559 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -12.501 1.456 7.443 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.760 2.153 4.358 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -12.316 3.569 6.215 1.00 0.00 H new ATOM 0 HZ PHE A 41 -10.431 3.923 4.681 1.00 0.00 H new ATOM 659 N GLU A 42 -11.423 -2.618 9.280 1.00 0.00 N ATOM 660 CA GLU A 42 -11.524 -3.897 9.910 1.00 0.00 C ATOM 661 C GLU A 42 -11.219 -4.988 8.899 1.00 0.00 C ATOM 662 O GLU A 42 -11.751 -6.099 8.962 1.00 0.00 O ATOM 663 CB GLU A 42 -12.951 -4.041 10.455 1.00 0.00 C ATOM 664 CG GLU A 42 -14.066 -3.803 9.417 1.00 0.00 C ATOM 665 CD GLU A 42 -14.257 -2.359 8.989 1.00 0.00 C ATOM 666 OE1 GLU A 42 -13.709 -1.970 7.942 1.00 0.00 O ATOM 667 OE2 GLU A 42 -14.955 -1.594 9.680 1.00 0.00 O ATOM 0 H GLU A 42 -12.119 -2.483 8.546 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.808 -3.987 10.727 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.067 -5.042 10.869 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.084 -3.338 11.278 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.849 -4.401 8.532 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.006 -4.170 9.828 1.00 0.00 H new ATOM 674 N ILE A 43 -10.327 -4.674 8.007 1.00 0.00 N ATOM 675 CA ILE A 43 -9.977 -5.557 6.916 1.00 0.00 C ATOM 676 C ILE A 43 -9.251 -6.791 7.410 1.00 0.00 C ATOM 677 O ILE A 43 -8.198 -6.714 8.056 1.00 0.00 O ATOM 678 CB ILE A 43 -9.117 -4.854 5.849 1.00 0.00 C ATOM 679 CG1 ILE A 43 -9.743 -3.533 5.450 1.00 0.00 C ATOM 680 CG2 ILE A 43 -8.923 -5.736 4.623 1.00 0.00 C ATOM 681 CD1 ILE A 43 -11.162 -3.649 4.946 1.00 0.00 C ATOM 0 H ILE A 43 -9.813 -3.793 8.009 1.00 0.00 H new ATOM 0 HA ILE A 43 -10.919 -5.856 6.457 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.136 -4.664 6.285 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -9.728 -2.862 6.309 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.130 -3.072 4.675 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.312 -5.210 3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -8.425 -6.660 4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.894 -5.970 4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.536 -2.660 4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -11.184 -4.292 4.066 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.791 -4.079 5.726 1.00 0.00 H new ATOM 693 N GLU A 44 -9.845 -7.898 7.112 1.00 0.00 N ATOM 694 CA GLU A 44 -9.332 -9.203 7.434 1.00 0.00 C ATOM 695 C GLU A 44 -8.306 -9.616 6.398 1.00 0.00 C ATOM 696 O GLU A 44 -8.244 -9.021 5.306 1.00 0.00 O ATOM 697 CB GLU A 44 -10.490 -10.183 7.430 1.00 0.00 C ATOM 698 CG GLU A 44 -11.568 -9.833 8.430 1.00 0.00 C ATOM 699 CD GLU A 44 -11.135 -10.042 9.863 1.00 0.00 C ATOM 700 OE1 GLU A 44 -11.635 -10.980 10.500 1.00 0.00 O ATOM 701 OE2 GLU A 44 -10.295 -9.271 10.377 1.00 0.00 O ATOM 0 H GLU A 44 -10.737 -7.928 6.618 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.855 -9.191 8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -10.926 -10.216 6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -10.113 -11.182 7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -11.859 -8.792 8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -12.451 -10.440 8.231 1.00 0.00 H new ATOM 708 N SER A 45 -7.544 -10.642 6.713 1.00 0.00 N ATOM 709 CA SER A 45 -6.503 -11.155 5.841 1.00 0.00 C ATOM 710 C SER A 45 -7.095 -11.600 4.501 1.00 0.00 C ATOM 711 O SER A 45 -6.499 -11.379 3.457 1.00 0.00 O ATOM 712 CB SER A 45 -5.771 -12.312 6.532 1.00 0.00 C ATOM 713 OG SER A 45 -4.663 -12.784 5.772 1.00 0.00 O ATOM 0 H SER A 45 -7.629 -11.151 7.593 1.00 0.00 H new ATOM 0 HA SER A 45 -5.784 -10.361 5.639 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.423 -11.985 7.512 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.469 -13.132 6.699 1.00 0.00 H new ATOM 0 HG SER A 45 -4.227 -13.519 6.251 1.00 0.00 H new ATOM 719 N ASP A 46 -8.307 -12.156 4.543 1.00 0.00 N ATOM 720 CA ASP A 46 -9.014 -12.622 3.335 1.00 0.00 C ATOM 721 C ASP A 46 -9.232 -11.462 2.380 1.00 0.00 C ATOM 722 O ASP A 46 -9.049 -11.577 1.172 1.00 0.00 O ATOM 723 CB ASP A 46 -10.389 -13.190 3.699 1.00 0.00 C ATOM 724 CG ASP A 46 -10.345 -14.256 4.759 1.00 0.00 C ATOM 725 OD1 ASP A 46 -10.300 -15.437 4.429 1.00 0.00 O ATOM 726 OD2 ASP A 46 -10.356 -13.905 5.962 1.00 0.00 O ATOM 0 H ASP A 46 -8.829 -12.298 5.408 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.402 -13.394 2.869 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.029 -12.377 4.042 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.851 -13.602 2.802 1.00 0.00 H new ATOM 731 N GLN A 47 -9.596 -10.328 2.945 1.00 0.00 N ATOM 732 CA GLN A 47 -9.881 -9.153 2.161 1.00 0.00 C ATOM 733 C GLN A 47 -8.588 -8.469 1.745 1.00 0.00 C ATOM 734 O GLN A 47 -8.518 -7.831 0.699 1.00 0.00 O ATOM 735 CB GLN A 47 -10.774 -8.206 2.926 1.00 0.00 C ATOM 736 CG GLN A 47 -12.052 -8.855 3.424 1.00 0.00 C ATOM 737 CD GLN A 47 -13.059 -7.850 3.928 1.00 0.00 C ATOM 738 OE1 GLN A 47 -14.259 -8.081 3.888 1.00 0.00 O ATOM 739 NE2 GLN A 47 -12.589 -6.718 4.363 1.00 0.00 N ATOM 0 H GLN A 47 -9.701 -10.200 3.952 1.00 0.00 H new ATOM 0 HA GLN A 47 -10.411 -9.457 1.258 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -10.223 -7.806 3.777 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -11.029 -7.362 2.286 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -12.498 -9.436 2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -11.811 -9.554 4.225 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.582 -6.558 4.383 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -13.228 -5.990 4.684 1.00 0.00 H new ATOM 748 N MET A 48 -7.562 -8.603 2.574 1.00 0.00 N ATOM 749 CA MET A 48 -6.243 -8.099 2.227 1.00 0.00 C ATOM 750 C MET A 48 -5.684 -8.861 1.050 1.00 0.00 C ATOM 751 O MET A 48 -5.181 -8.261 0.112 1.00 0.00 O ATOM 752 CB MET A 48 -5.261 -8.122 3.411 1.00 0.00 C ATOM 753 CG MET A 48 -5.428 -6.995 4.437 1.00 0.00 C ATOM 754 SD MET A 48 -4.679 -5.394 3.950 1.00 0.00 S ATOM 755 CE MET A 48 -5.545 -4.938 2.448 1.00 0.00 C ATOM 0 H MET A 48 -7.618 -9.054 3.487 1.00 0.00 H new ATOM 0 HA MET A 48 -6.366 -7.052 1.951 1.00 0.00 H new ATOM 0 HB2 MET A 48 -5.366 -9.076 3.927 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.245 -8.082 3.017 1.00 0.00 H new ATOM 0 HG2 MET A 48 -6.492 -6.842 4.618 1.00 0.00 H new ATOM 0 HG3 MET A 48 -4.987 -7.314 5.381 1.00 0.00 H new ATOM 0 HE1 MET A 48 -5.348 -3.891 2.218 1.00 0.00 H new ATOM 0 HE2 MET A 48 -5.198 -5.562 1.624 1.00 0.00 H new ATOM 0 HE3 MET A 48 -6.616 -5.083 2.587 1.00 0.00 H new ATOM 765 N ASP A 49 -5.817 -10.186 1.098 1.00 0.00 N ATOM 766 CA ASP A 49 -5.379 -11.093 0.019 1.00 0.00 C ATOM 767 C ASP A 49 -5.999 -10.695 -1.297 1.00 0.00 C ATOM 768 O ASP A 49 -5.330 -10.669 -2.340 1.00 0.00 O ATOM 769 CB ASP A 49 -5.788 -12.523 0.344 1.00 0.00 C ATOM 770 CG ASP A 49 -5.376 -13.500 -0.723 1.00 0.00 C ATOM 771 OD1 ASP A 49 -6.252 -13.991 -1.470 1.00 0.00 O ATOM 772 OD2 ASP A 49 -4.173 -13.804 -0.831 1.00 0.00 O ATOM 0 H ASP A 49 -6.235 -10.672 1.891 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.294 -11.025 -0.061 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.341 -12.818 1.293 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -6.869 -12.567 0.474 1.00 0.00 H new ATOM 777 N GLU A 50 -7.265 -10.342 -1.222 1.00 0.00 N ATOM 778 CA GLU A 50 -8.036 -9.900 -2.360 1.00 0.00 C ATOM 779 C GLU A 50 -7.366 -8.664 -2.983 1.00 0.00 C ATOM 780 O GLU A 50 -7.180 -8.573 -4.201 1.00 0.00 O ATOM 781 CB GLU A 50 -9.443 -9.538 -1.891 1.00 0.00 C ATOM 782 CG GLU A 50 -10.457 -9.356 -2.997 1.00 0.00 C ATOM 783 CD GLU A 50 -10.665 -10.629 -3.758 1.00 0.00 C ATOM 784 OE1 GLU A 50 -10.221 -10.729 -4.918 1.00 0.00 O ATOM 785 OE2 GLU A 50 -11.264 -11.577 -3.201 1.00 0.00 O ATOM 0 H GLU A 50 -7.795 -10.355 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 50 -8.088 -10.694 -3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -9.798 -10.319 -1.218 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.391 -8.617 -1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -11.405 -9.024 -2.574 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -10.120 -8.574 -3.677 1.00 0.00 H new ATOM 792 N TYR A 51 -6.968 -7.748 -2.118 1.00 0.00 N ATOM 793 CA TYR A 51 -6.326 -6.522 -2.530 1.00 0.00 C ATOM 794 C TYR A 51 -4.925 -6.809 -3.079 1.00 0.00 C ATOM 795 O TYR A 51 -4.483 -6.152 -4.025 1.00 0.00 O ATOM 796 CB TYR A 51 -6.293 -5.530 -1.380 1.00 0.00 C ATOM 797 CG TYR A 51 -5.715 -4.195 -1.755 1.00 0.00 C ATOM 798 CD1 TYR A 51 -4.748 -3.601 -0.974 1.00 0.00 C ATOM 799 CD2 TYR A 51 -6.123 -3.541 -2.909 1.00 0.00 C ATOM 800 CE1 TYR A 51 -4.206 -2.393 -1.323 1.00 0.00 C ATOM 801 CE2 TYR A 51 -5.583 -2.331 -3.256 1.00 0.00 C ATOM 802 CZ TYR A 51 -4.629 -1.766 -2.461 1.00 0.00 C ATOM 803 OH TYR A 51 -4.081 -0.579 -2.813 1.00 0.00 O ATOM 0 H TYR A 51 -7.083 -7.838 -1.109 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.905 -6.070 -3.336 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -7.307 -5.386 -1.006 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -5.709 -5.953 -0.563 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -4.413 -4.095 -0.074 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.875 -3.991 -3.540 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -3.448 -1.938 -0.702 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -5.910 -1.827 -4.153 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.784 0.101 -2.872 1.00 0.00 H new ATOM 813 N TYR A 52 -4.222 -7.772 -2.501 1.00 0.00 N ATOM 814 CA TYR A 52 -2.869 -8.109 -2.929 1.00 0.00 C ATOM 815 C TYR A 52 -2.831 -8.567 -4.373 1.00 0.00 C ATOM 816 O TYR A 52 -1.985 -8.122 -5.156 1.00 0.00 O ATOM 817 CB TYR A 52 -2.194 -9.126 -1.984 1.00 0.00 C ATOM 818 CG TYR A 52 -1.797 -8.530 -0.636 1.00 0.00 C ATOM 819 CD1 TYR A 52 -2.295 -9.029 0.557 1.00 0.00 C ATOM 820 CD2 TYR A 52 -0.934 -7.446 -0.568 1.00 0.00 C ATOM 821 CE1 TYR A 52 -1.950 -8.470 1.771 1.00 0.00 C ATOM 822 CE2 TYR A 52 -0.584 -6.891 0.643 1.00 0.00 C ATOM 823 CZ TYR A 52 -1.100 -7.404 1.810 1.00 0.00 C ATOM 824 OH TYR A 52 -0.750 -6.852 3.029 1.00 0.00 O ATOM 0 H TYR A 52 -4.569 -8.339 -1.727 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.284 -7.191 -2.870 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.873 -9.962 -1.817 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.306 -9.529 -2.471 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.968 -9.874 0.536 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.530 -7.031 -1.479 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.352 -8.876 2.688 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.096 -6.053 0.676 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.124 -6.111 2.885 1.00 0.00 H new ATOM 834 N GLU A 53 -3.779 -9.418 -4.741 1.00 0.00 N ATOM 835 CA GLU A 53 -3.882 -9.900 -6.103 1.00 0.00 C ATOM 836 C GLU A 53 -4.266 -8.741 -7.045 1.00 0.00 C ATOM 837 O GLU A 53 -3.741 -8.631 -8.165 1.00 0.00 O ATOM 838 CB GLU A 53 -4.904 -11.035 -6.173 1.00 0.00 C ATOM 839 CG GLU A 53 -4.858 -11.832 -7.460 1.00 0.00 C ATOM 840 CD GLU A 53 -3.488 -12.429 -7.708 1.00 0.00 C ATOM 841 OE1 GLU A 53 -2.984 -13.182 -6.856 1.00 0.00 O ATOM 842 OE2 GLU A 53 -2.900 -12.178 -8.777 1.00 0.00 O ATOM 0 H GLU A 53 -4.489 -9.788 -4.109 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.917 -10.290 -6.426 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.738 -11.711 -5.334 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.904 -10.617 -6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.599 -12.630 -7.419 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.129 -11.187 -8.296 1.00 0.00 H new ATOM 849 N PHE A 54 -5.137 -7.854 -6.548 1.00 0.00 N ATOM 850 CA PHE A 54 -5.578 -6.682 -7.280 1.00 0.00 C ATOM 851 C PHE A 54 -4.383 -5.810 -7.668 1.00 0.00 C ATOM 852 O PHE A 54 -4.227 -5.426 -8.834 1.00 0.00 O ATOM 853 CB PHE A 54 -6.587 -5.885 -6.426 1.00 0.00 C ATOM 854 CG PHE A 54 -6.851 -4.496 -6.926 1.00 0.00 C ATOM 855 CD1 PHE A 54 -7.759 -4.255 -7.932 1.00 0.00 C ATOM 856 CD2 PHE A 54 -6.161 -3.432 -6.384 1.00 0.00 C ATOM 857 CE1 PHE A 54 -7.968 -2.969 -8.386 1.00 0.00 C ATOM 858 CE2 PHE A 54 -6.363 -2.155 -6.827 1.00 0.00 C ATOM 859 CZ PHE A 54 -7.262 -1.919 -7.826 1.00 0.00 C ATOM 0 H PHE A 54 -5.552 -7.939 -5.620 1.00 0.00 H new ATOM 0 HA PHE A 54 -6.071 -7.000 -8.199 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -7.529 -6.432 -6.391 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -6.215 -5.827 -5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -8.310 -5.076 -8.368 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -5.447 -3.611 -5.594 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -8.680 -2.783 -9.176 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -5.813 -1.336 -6.388 1.00 0.00 H new ATOM 0 HZ PHE A 54 -7.423 -0.911 -8.180 1.00 0.00 H new ATOM 869 N LEU A 55 -3.556 -5.503 -6.684 1.00 0.00 N ATOM 870 CA LEU A 55 -2.353 -4.704 -6.884 1.00 0.00 C ATOM 871 C LEU A 55 -1.441 -5.317 -7.926 1.00 0.00 C ATOM 872 O LEU A 55 -0.896 -4.617 -8.805 1.00 0.00 O ATOM 873 CB LEU A 55 -1.611 -4.540 -5.576 1.00 0.00 C ATOM 874 CG LEU A 55 -2.262 -3.636 -4.560 1.00 0.00 C ATOM 875 CD1 LEU A 55 -1.529 -3.745 -3.246 1.00 0.00 C ATOM 876 CD2 LEU A 55 -2.242 -2.195 -5.061 1.00 0.00 C ATOM 0 H LEU A 55 -3.698 -5.801 -5.719 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.663 -3.725 -7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.482 -5.525 -5.128 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.614 -4.155 -5.791 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.299 -3.940 -4.414 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.000 -3.091 -2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.567 -4.775 -2.892 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.490 -3.447 -3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -2.714 -1.547 -4.323 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.211 -1.878 -5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.787 -2.130 -6.003 1.00 0.00 H new ATOM 888 N GLY A 56 -1.304 -6.633 -7.816 1.00 0.00 N ATOM 889 CA GLY A 56 -0.491 -7.384 -8.739 1.00 0.00 C ATOM 890 C GLY A 56 -0.952 -7.194 -10.159 1.00 0.00 C ATOM 891 O GLY A 56 -0.138 -7.034 -11.060 1.00 0.00 O ATOM 0 H GLY A 56 -1.751 -7.195 -7.091 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.549 -7.071 -8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.529 -8.442 -8.481 1.00 0.00 H new ATOM 895 N GLU A 57 -2.257 -7.191 -10.351 1.00 0.00 N ATOM 896 CA GLU A 57 -2.851 -6.998 -11.640 1.00 0.00 C ATOM 897 C GLU A 57 -2.597 -5.609 -12.228 1.00 0.00 C ATOM 898 O GLU A 57 -2.361 -5.471 -13.437 1.00 0.00 O ATOM 899 CB GLU A 57 -4.326 -7.244 -11.561 1.00 0.00 C ATOM 900 CG GLU A 57 -4.705 -8.677 -11.315 1.00 0.00 C ATOM 901 CD GLU A 57 -6.183 -8.855 -11.327 1.00 0.00 C ATOM 902 OE1 GLU A 57 -6.740 -9.425 -10.380 1.00 0.00 O ATOM 903 OE2 GLU A 57 -6.828 -8.409 -12.297 1.00 0.00 O ATOM 0 H GLU A 57 -2.935 -7.325 -9.600 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.375 -7.715 -12.309 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.742 -6.629 -10.763 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -4.787 -6.914 -12.492 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.254 -9.311 -12.078 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -4.305 -9.001 -10.354 1.00 0.00 H new ATOM 910 N GLN A 58 -2.615 -4.581 -11.368 1.00 0.00 N ATOM 911 CA GLN A 58 -2.490 -3.197 -11.813 1.00 0.00 C ATOM 912 C GLN A 58 -1.035 -2.881 -12.138 1.00 0.00 C ATOM 913 O GLN A 58 -0.747 -2.086 -13.037 1.00 0.00 O ATOM 914 CB GLN A 58 -3.011 -2.251 -10.727 1.00 0.00 C ATOM 915 CG GLN A 58 -4.446 -2.536 -10.290 1.00 0.00 C ATOM 916 CD GLN A 58 -5.475 -2.349 -11.398 1.00 0.00 C ATOM 917 OE1 GLN A 58 -5.318 -1.516 -12.282 1.00 0.00 O ATOM 918 NE2 GLN A 58 -6.508 -3.143 -11.383 1.00 0.00 N ATOM 0 H GLN A 58 -2.715 -4.688 -10.359 1.00 0.00 H new ATOM 0 HA GLN A 58 -3.086 -3.058 -12.715 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -2.357 -2.318 -9.857 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -2.950 -1.226 -11.093 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.507 -3.559 -9.920 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.699 -1.880 -9.457 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -6.614 -3.828 -10.635 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -7.211 -3.080 -12.120 1.00 0.00 H new ATOM 927 N GLY A 59 -0.144 -3.437 -11.381 1.00 0.00 N ATOM 928 CA GLY A 59 1.256 -3.314 -11.693 1.00 0.00 C ATOM 929 C GLY A 59 2.061 -2.966 -10.488 1.00 0.00 C ATOM 930 O GLY A 59 2.865 -2.036 -10.513 1.00 0.00 O ATOM 0 H GLY A 59 -0.353 -3.980 -10.543 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.619 -4.252 -12.114 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.393 -2.548 -12.456 1.00 0.00 H new ATOM 934 N VAL A 60 1.822 -3.674 -9.424 1.00 0.00 N ATOM 935 CA VAL A 60 2.496 -3.434 -8.184 1.00 0.00 C ATOM 936 C VAL A 60 2.972 -4.751 -7.631 1.00 0.00 C ATOM 937 O VAL A 60 2.185 -5.689 -7.521 1.00 0.00 O ATOM 938 CB VAL A 60 1.539 -2.798 -7.144 1.00 0.00 C ATOM 939 CG1 VAL A 60 2.265 -2.492 -5.855 1.00 0.00 C ATOM 940 CG2 VAL A 60 0.857 -1.554 -7.690 1.00 0.00 C ATOM 0 H VAL A 60 1.149 -4.440 -9.393 1.00 0.00 H new ATOM 0 HA VAL A 60 3.327 -2.754 -8.369 1.00 0.00 H new ATOM 0 HB VAL A 60 0.760 -3.530 -6.932 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.570 -2.047 -5.143 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.670 -3.414 -5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.079 -1.794 -6.053 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.195 -1.139 -6.930 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.611 -0.814 -7.958 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.275 -1.816 -8.574 1.00 0.00 H new ATOM 950 N GLU A 61 4.243 -4.848 -7.346 1.00 0.00 N ATOM 951 CA GLU A 61 4.780 -6.022 -6.703 1.00 0.00 C ATOM 952 C GLU A 61 4.676 -5.891 -5.206 1.00 0.00 C ATOM 953 O GLU A 61 4.449 -4.800 -4.689 1.00 0.00 O ATOM 954 CB GLU A 61 6.202 -6.286 -7.130 1.00 0.00 C ATOM 955 CG GLU A 61 6.296 -6.789 -8.538 1.00 0.00 C ATOM 956 CD GLU A 61 7.700 -7.169 -8.916 1.00 0.00 C ATOM 957 OE1 GLU A 61 8.369 -6.391 -9.618 1.00 0.00 O ATOM 958 OE2 GLU A 61 8.176 -8.253 -8.504 1.00 0.00 O ATOM 0 H GLU A 61 4.932 -4.124 -7.550 1.00 0.00 H new ATOM 0 HA GLU A 61 4.187 -6.881 -7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.782 -5.368 -7.036 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.650 -7.016 -6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.644 -7.654 -8.657 1.00 0.00 H new ATOM 0 HG3 GLU A 61 5.934 -6.020 -9.221 1.00 0.00 H new ATOM 965 N LEU A 62 4.840 -6.968 -4.512 1.00 0.00 N ATOM 966 CA LEU A 62 4.672 -6.950 -3.092 1.00 0.00 C ATOM 967 C LEU A 62 5.915 -7.403 -2.358 1.00 0.00 C ATOM 968 O LEU A 62 6.382 -8.535 -2.521 1.00 0.00 O ATOM 969 CB LEU A 62 3.477 -7.808 -2.718 1.00 0.00 C ATOM 970 CG LEU A 62 2.123 -7.323 -3.246 1.00 0.00 C ATOM 971 CD1 LEU A 62 1.078 -8.366 -3.029 1.00 0.00 C ATOM 972 CD2 LEU A 62 1.732 -5.991 -2.604 1.00 0.00 C ATOM 0 H LEU A 62 5.091 -7.876 -4.904 1.00 0.00 H new ATOM 0 HA LEU A 62 4.494 -5.919 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.649 -8.819 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.422 -7.869 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 62 2.208 -7.152 -4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.121 -8.007 -3.409 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.359 -9.278 -3.556 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.989 -8.576 -1.963 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.767 -5.668 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.662 -6.115 -1.523 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.487 -5.240 -2.835 1.00 0.00 H new ATOM 984 N ILE A 63 6.458 -6.505 -1.581 1.00 0.00 N ATOM 985 CA ILE A 63 7.587 -6.790 -0.718 1.00 0.00 C ATOM 986 C ILE A 63 7.119 -6.858 0.729 1.00 0.00 C ATOM 987 O ILE A 63 5.950 -6.591 1.023 1.00 0.00 O ATOM 988 CB ILE A 63 8.690 -5.716 -0.824 1.00 0.00 C ATOM 989 CG1 ILE A 63 8.124 -4.325 -0.615 1.00 0.00 C ATOM 990 CG2 ILE A 63 9.436 -5.815 -2.123 1.00 0.00 C ATOM 991 CD1 ILE A 63 9.147 -3.231 -0.648 1.00 0.00 C ATOM 0 H ILE A 63 6.129 -5.541 -1.524 1.00 0.00 H new ATOM 0 HA ILE A 63 8.005 -7.744 -1.040 1.00 0.00 H new ATOM 0 HB ILE A 63 9.407 -5.905 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 63 7.376 -4.130 -1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 63 7.609 -4.296 0.345 1.00 0.00 H new ATOM 0 HG21 ILE A 63 10.204 -5.043 -2.161 1.00 0.00 H new ATOM 0 HG22 ILE A 63 9.904 -6.796 -2.200 1.00 0.00 H new ATOM 0 HG23 ILE A 63 8.742 -5.678 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.657 -2.270 -0.490 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.883 -3.397 0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.646 -3.229 -1.617 1.00 0.00 H new