USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 479 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 31 THR OG1 : rot -133:sc= -3.14! USER MOD Set 1.2: A 37 GLN : amide:sc= -5.15 K(o=-8.3,f=-9.6!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00191 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -1.39 K(o=-1.4,f=-11!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.56 K(o=-1.6,f=-2.5) USER MOD Single : A 27 LYS NZ :NH3+ -104:sc=-0.00332 (180deg=-0.279) USER MOD Single : A 30 ASN : amide:sc= -0.983 K(o=-0.98,f=0.23) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 144:sc= -0.129 (180deg=-0.869) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -6.43! C(o=-6.4!,f=-12!) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.52) USER MOD Single : A 61 TYR OH : rot 30:sc= -0.259 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N PRO A 10 -7.105 -8.088 -4.268 1.00 0.00 N ATOM 152 CA PRO A 10 -5.854 -8.853 -4.438 1.00 0.00 C ATOM 153 C PRO A 10 -4.936 -8.762 -3.223 1.00 0.00 C ATOM 154 O PRO A 10 -4.381 -9.764 -2.772 1.00 0.00 O ATOM 155 CB PRO A 10 -5.217 -8.189 -5.651 1.00 0.00 C ATOM 156 CG PRO A 10 -5.783 -6.780 -5.738 1.00 0.00 C ATOM 157 CD PRO A 10 -7.056 -6.739 -4.887 1.00 0.00 C ATOM 0 HA PRO A 10 -6.036 -9.921 -4.559 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.132 -8.163 -5.550 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.439 -8.750 -6.559 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.057 -6.053 -5.376 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.006 -6.520 -6.773 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.009 -5.953 -4.133 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.939 -6.545 -5.496 1.00 0.00 H new ATOM 165 N CYS A 11 -4.784 -7.552 -2.695 1.00 0.00 N ATOM 166 CA CYS A 11 -3.932 -7.347 -1.525 1.00 0.00 C ATOM 167 C CYS A 11 -4.469 -8.140 -0.340 1.00 0.00 C ATOM 168 O CYS A 11 -5.677 -8.317 -0.182 1.00 0.00 O ATOM 169 CB CYS A 11 -3.868 -5.867 -1.139 1.00 0.00 C ATOM 170 SG CYS A 11 -2.651 -5.012 -2.177 1.00 0.00 S ATOM 0 H CYS A 11 -5.232 -6.708 -3.051 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.930 -7.690 -1.782 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.849 -5.408 -1.260 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.597 -5.767 -0.088 1.00 0.00 H new ATOM 175 N ARG A 12 -3.550 -8.613 0.486 1.00 0.00 N ATOM 176 CA ARG A 12 -3.918 -9.391 1.667 1.00 0.00 C ATOM 177 C ARG A 12 -3.027 -9.005 2.837 1.00 0.00 C ATOM 178 O ARG A 12 -3.501 -8.725 3.937 1.00 0.00 O ATOM 179 CB ARG A 12 -3.767 -10.889 1.393 1.00 0.00 C ATOM 180 CG ARG A 12 -4.537 -11.259 0.124 1.00 0.00 C ATOM 181 CD ARG A 12 -4.291 -12.730 -0.212 1.00 0.00 C ATOM 182 NE ARG A 12 -4.977 -13.099 -1.447 1.00 0.00 N ATOM 183 CZ ARG A 12 -5.244 -14.371 -1.731 1.00 0.00 C ATOM 184 NH1 ARG A 12 -6.249 -14.971 -1.153 1.00 0.00 N ATOM 185 NH2 ARG A 12 -4.501 -15.018 -2.585 1.00 0.00 N ATOM 0 H ARG A 12 -2.547 -8.475 0.365 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.959 -9.177 1.909 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.713 -11.144 1.278 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.143 -11.463 2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.603 -11.081 0.268 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.218 -10.627 -0.705 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.221 -12.910 -0.317 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.642 -13.359 0.606 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.256 -12.369 -2.103 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.829 -14.465 -0.484 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -6.454 -15.946 -1.370 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -3.715 -14.549 -3.035 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.706 -15.993 -2.803 1.00 0.00 H new ATOM 199 N PHE A 13 -1.726 -8.980 2.576 1.00 0.00 N ATOM 200 CA PHE A 13 -0.759 -8.612 3.603 1.00 0.00 C ATOM 201 C PHE A 13 -0.191 -7.234 3.293 1.00 0.00 C ATOM 202 O PHE A 13 0.256 -6.969 2.178 1.00 0.00 O ATOM 203 CB PHE A 13 0.395 -9.618 3.666 1.00 0.00 C ATOM 204 CG PHE A 13 -0.153 -11.026 3.717 1.00 0.00 C ATOM 205 CD1 PHE A 13 -0.701 -11.522 4.906 1.00 0.00 C ATOM 206 CD2 PHE A 13 -0.108 -11.835 2.575 1.00 0.00 C ATOM 207 CE1 PHE A 13 -1.207 -12.827 4.952 1.00 0.00 C ATOM 208 CE2 PHE A 13 -0.615 -13.140 2.621 1.00 0.00 C ATOM 209 CZ PHE A 13 -1.163 -13.636 3.810 1.00 0.00 C ATOM 0 H PHE A 13 -1.318 -9.208 1.669 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.272 -8.608 4.565 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.040 -9.501 2.795 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.009 -9.425 4.545 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.733 -10.899 5.787 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.318 -11.453 1.659 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.631 -13.210 5.869 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.583 -13.763 1.740 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.552 -14.643 3.846 1.00 0.00 H new ATOM 219 N PHE A 14 -0.223 -6.358 4.287 1.00 0.00 N ATOM 220 CA PHE A 14 0.284 -5.003 4.103 1.00 0.00 C ATOM 221 C PHE A 14 1.575 -4.799 4.877 1.00 0.00 C ATOM 222 O PHE A 14 1.675 -5.151 6.053 1.00 0.00 O ATOM 223 CB PHE A 14 -0.740 -3.976 4.577 1.00 0.00 C ATOM 224 CG PHE A 14 -1.782 -3.781 3.507 1.00 0.00 C ATOM 225 CD1 PHE A 14 -2.610 -4.843 3.127 1.00 0.00 C ATOM 226 CD2 PHE A 14 -1.915 -2.536 2.894 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.573 -4.654 2.129 1.00 0.00 C ATOM 228 CE2 PHE A 14 -2.876 -2.344 1.897 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.706 -3.404 1.513 1.00 0.00 C ATOM 0 H PHE A 14 -0.589 -6.556 5.218 1.00 0.00 H new ATOM 0 HA PHE A 14 0.474 -4.866 3.038 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.210 -4.314 5.501 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.247 -3.029 4.798 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.506 -5.807 3.603 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.274 -1.718 3.190 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.213 -5.472 1.834 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.978 -1.379 1.423 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.448 -3.257 0.742 1.00 0.00 H new ATOM 239 N GLU A 15 2.560 -4.217 4.206 1.00 0.00 N ATOM 240 CA GLU A 15 3.844 -3.959 4.845 1.00 0.00 C ATOM 241 C GLU A 15 3.914 -2.508 5.316 1.00 0.00 C ATOM 242 O GLU A 15 4.579 -1.670 4.707 1.00 0.00 O ATOM 243 CB GLU A 15 4.995 -4.235 3.873 1.00 0.00 C ATOM 244 CG GLU A 15 5.014 -5.725 3.515 1.00 0.00 C ATOM 245 CD GLU A 15 6.458 -6.200 3.371 1.00 0.00 C ATOM 246 OE1 GLU A 15 7.294 -5.731 4.125 1.00 0.00 O ATOM 247 OE2 GLU A 15 6.704 -7.028 2.510 1.00 0.00 O ATOM 0 H GLU A 15 2.497 -3.918 3.233 1.00 0.00 H new ATOM 0 HA GLU A 15 3.938 -4.624 5.703 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.876 -3.635 2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.944 -3.946 4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.507 -6.301 4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.471 -5.893 2.585 1.00 0.00 H new ATOM 254 N SER A 16 3.217 -2.218 6.414 1.00 0.00 N ATOM 255 CA SER A 16 3.207 -0.863 6.962 1.00 0.00 C ATOM 256 C SER A 16 4.622 -0.426 7.334 1.00 0.00 C ATOM 257 O SER A 16 4.946 0.760 7.305 1.00 0.00 O ATOM 258 CB SER A 16 2.315 -0.786 8.202 1.00 0.00 C ATOM 259 OG SER A 16 2.617 -1.875 9.065 1.00 0.00 O ATOM 0 H SER A 16 2.659 -2.894 6.936 1.00 0.00 H new ATOM 0 HA SER A 16 2.812 -0.197 6.195 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.474 0.159 8.721 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.265 -0.817 7.912 1.00 0.00 H new ATOM 0 HG SER A 16 2.049 -1.828 9.862 1.00 0.00 H new ATOM 265 N HIS A 17 5.467 -1.400 7.672 1.00 0.00 N ATOM 266 CA HIS A 17 6.852 -1.104 8.035 1.00 0.00 C ATOM 267 C HIS A 17 7.572 -0.374 6.897 1.00 0.00 C ATOM 268 O HIS A 17 8.577 0.301 7.116 1.00 0.00 O ATOM 269 CB HIS A 17 7.608 -2.395 8.353 1.00 0.00 C ATOM 270 CG HIS A 17 7.414 -2.747 9.802 1.00 0.00 C ATOM 271 ND1 HIS A 17 8.270 -2.295 10.794 1.00 0.00 N ATOM 272 CD2 HIS A 17 6.466 -3.506 10.443 1.00 0.00 C ATOM 273 CE1 HIS A 17 7.825 -2.781 11.967 1.00 0.00 C ATOM 274 NE2 HIS A 17 6.727 -3.526 11.810 1.00 0.00 N ATOM 0 H HIS A 17 5.221 -2.389 7.702 1.00 0.00 H new ATOM 0 HA HIS A 17 6.833 -0.463 8.916 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.247 -3.205 7.720 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.669 -2.270 8.137 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.643 -4.011 9.960 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.298 -2.592 12.919 1.00 0.00 H new ATOM 0 HE2 HIS A 17 6.195 -4.006 12.536 1.00 0.00 H new ATOM 282 N VAL A 18 7.045 -0.515 5.675 1.00 0.00 N ATOM 283 CA VAL A 18 7.638 0.132 4.509 1.00 0.00 C ATOM 284 C VAL A 18 7.748 1.640 4.726 1.00 0.00 C ATOM 285 O VAL A 18 7.039 2.227 5.545 1.00 0.00 O ATOM 286 CB VAL A 18 6.782 -0.142 3.261 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.390 0.541 2.030 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.720 -1.648 3.011 1.00 0.00 C ATOM 0 H VAL A 18 6.213 -1.069 5.473 1.00 0.00 H new ATOM 0 HA VAL A 18 8.637 -0.278 4.364 1.00 0.00 H new ATOM 0 HB VAL A 18 5.781 0.255 3.431 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.771 0.336 1.157 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.437 1.617 2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.396 0.156 1.860 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.114 -1.845 2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.728 -2.032 2.853 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.274 -2.142 3.874 1.00 0.00 H new ATOM 298 N ALA A 19 8.643 2.246 3.965 1.00 0.00 N ATOM 299 CA ALA A 19 8.862 3.681 4.038 1.00 0.00 C ATOM 300 C ALA A 19 9.272 4.200 2.668 1.00 0.00 C ATOM 301 O ALA A 19 10.038 3.558 1.951 1.00 0.00 O ATOM 302 CB ALA A 19 9.956 4.012 5.053 1.00 0.00 C ATOM 0 H ALA A 19 9.233 1.764 3.286 1.00 0.00 H new ATOM 0 HA ALA A 19 7.935 4.158 4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.103 5.091 5.091 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.660 3.651 6.038 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.887 3.529 4.755 1.00 0.00 H new ATOM 308 N ARG A 20 8.741 5.368 2.308 1.00 0.00 N ATOM 309 CA ARG A 20 9.026 5.994 1.007 1.00 0.00 C ATOM 310 C ARG A 20 10.504 5.882 0.611 1.00 0.00 C ATOM 311 O ARG A 20 10.837 5.832 -0.572 1.00 0.00 O ATOM 312 CB ARG A 20 8.637 7.468 1.043 1.00 0.00 C ATOM 313 CG ARG A 20 8.285 7.942 -0.368 1.00 0.00 C ATOM 314 CD ARG A 20 8.702 9.405 -0.537 1.00 0.00 C ATOM 315 NE ARG A 20 7.741 10.121 -1.374 1.00 0.00 N ATOM 316 CZ ARG A 20 7.700 11.450 -1.386 1.00 0.00 C ATOM 317 NH1 ARG A 20 7.730 12.113 -0.262 1.00 0.00 N ATOM 318 NH2 ARG A 20 7.628 12.091 -2.520 1.00 0.00 N ATOM 0 H ARG A 20 8.107 5.906 2.899 1.00 0.00 H new ATOM 0 HA ARG A 20 8.437 5.458 0.263 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.786 7.614 1.709 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.459 8.062 1.442 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.791 7.321 -1.108 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.214 7.836 -0.542 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.770 9.884 0.440 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.693 9.456 -0.987 1.00 0.00 H new ATOM 0 HE ARG A 20 7.092 9.593 -1.958 1.00 0.00 H new ATOM 0 HH11 ARG A 20 7.785 11.612 0.625 1.00 0.00 H new ATOM 0 HH12 ARG A 20 7.699 13.132 -0.270 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.603 11.573 -3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.597 13.110 -2.528 1.00 0.00 H new ATOM 332 N ALA A 21 11.381 5.842 1.610 1.00 0.00 N ATOM 333 CA ALA A 21 12.812 5.735 1.346 1.00 0.00 C ATOM 334 C ALA A 21 13.133 4.438 0.608 1.00 0.00 C ATOM 335 O ALA A 21 13.610 4.453 -0.525 1.00 0.00 O ATOM 336 CB ALA A 21 13.603 5.771 2.656 1.00 0.00 C ATOM 0 H ALA A 21 11.130 5.881 2.598 1.00 0.00 H new ATOM 0 HA ALA A 21 13.098 6.583 0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.668 5.690 2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.408 6.710 3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.297 4.938 3.289 1.00 0.00 H new ATOM 342 N ASN A 22 12.870 3.317 1.270 1.00 0.00 N ATOM 343 CA ASN A 22 13.138 2.008 0.680 1.00 0.00 C ATOM 344 C ASN A 22 12.119 1.656 -0.406 1.00 0.00 C ATOM 345 O ASN A 22 12.295 0.675 -1.126 1.00 0.00 O ATOM 346 CB ASN A 22 13.112 0.928 1.760 1.00 0.00 C ATOM 347 CG ASN A 22 11.795 0.993 2.524 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.506 1.982 3.195 1.00 0.00 O ATOM 349 ND2 ASN A 22 10.971 -0.018 2.463 1.00 0.00 N ATOM 0 H ASN A 22 12.474 3.286 2.210 1.00 0.00 H new ATOM 0 HA ASN A 22 14.126 2.055 0.222 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.231 -0.056 1.306 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.948 1.066 2.446 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.088 0.013 2.972 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.211 -0.838 1.906 1.00 0.00 H new ATOM 356 N VAL A 23 11.060 2.458 -0.539 1.00 0.00 N ATOM 357 CA VAL A 23 10.058 2.187 -1.569 1.00 0.00 C ATOM 358 C VAL A 23 10.634 2.543 -2.936 1.00 0.00 C ATOM 359 O VAL A 23 11.279 3.578 -3.103 1.00 0.00 O ATOM 360 CB VAL A 23 8.778 2.994 -1.317 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.717 2.634 -2.362 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.236 2.676 0.085 1.00 0.00 C ATOM 0 H VAL A 23 10.877 3.279 0.038 1.00 0.00 H new ATOM 0 HA VAL A 23 9.802 1.128 -1.538 1.00 0.00 H new ATOM 0 HB VAL A 23 9.009 4.057 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.812 3.212 -2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.095 2.864 -3.358 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.488 1.570 -2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.327 3.250 0.262 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.013 1.611 0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.984 2.940 0.833 1.00 0.00 H new ATOM 372 N LYS A 24 10.408 1.666 -3.906 1.00 0.00 N ATOM 373 CA LYS A 24 10.923 1.887 -5.254 1.00 0.00 C ATOM 374 C LYS A 24 9.921 2.669 -6.095 1.00 0.00 C ATOM 375 O LYS A 24 10.243 3.720 -6.650 1.00 0.00 O ATOM 376 CB LYS A 24 11.213 0.553 -5.942 1.00 0.00 C ATOM 377 CG LYS A 24 12.066 0.794 -7.188 1.00 0.00 C ATOM 378 CD LYS A 24 12.231 -0.518 -7.958 1.00 0.00 C ATOM 379 CE LYS A 24 12.806 -0.228 -9.345 1.00 0.00 C ATOM 380 NZ LYS A 24 13.691 -1.352 -9.761 1.00 0.00 N ATOM 0 H LYS A 24 9.877 0.803 -3.788 1.00 0.00 H new ATOM 0 HA LYS A 24 11.845 2.461 -5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.733 -0.116 -5.256 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.279 0.064 -6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.595 1.544 -7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.042 1.185 -6.903 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.892 -1.191 -7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.269 -1.021 -8.050 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.998 -0.101 -10.066 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.369 0.705 -9.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.082 -1.155 -10.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.469 -1.453 -9.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.141 -2.234 -9.792 1.00 0.00 H new ATOM 394 N HIS A 25 8.704 2.146 -6.184 1.00 0.00 N ATOM 395 CA HIS A 25 7.665 2.811 -6.968 1.00 0.00 C ATOM 396 C HIS A 25 6.284 2.485 -6.415 1.00 0.00 C ATOM 397 O HIS A 25 6.098 1.487 -5.718 1.00 0.00 O ATOM 398 CB HIS A 25 7.732 2.366 -8.431 1.00 0.00 C ATOM 399 CG HIS A 25 6.905 3.297 -9.275 1.00 0.00 C ATOM 400 ND1 HIS A 25 5.614 2.983 -9.672 1.00 0.00 N ATOM 401 CD2 HIS A 25 7.171 4.534 -9.807 1.00 0.00 C ATOM 402 CE1 HIS A 25 5.156 4.012 -10.409 1.00 0.00 C ATOM 403 NE2 HIS A 25 6.065 4.985 -10.522 1.00 0.00 N ATOM 0 H HIS A 25 8.413 1.279 -5.733 1.00 0.00 H new ATOM 0 HA HIS A 25 7.835 3.886 -6.905 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.766 2.367 -8.776 1.00 0.00 H new ATOM 0 HB3 HIS A 25 7.364 1.345 -8.529 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.098 5.075 -9.689 1.00 0.00 H new ATOM 0 HE1 HIS A 25 4.173 4.047 -10.855 1.00 0.00 H new ATOM 0 HE2 HIS A 25 5.969 5.868 -11.024 1.00 0.00 H new ATOM 411 N LEU A 26 5.315 3.338 -6.735 1.00 0.00 N ATOM 412 CA LEU A 26 3.951 3.128 -6.264 1.00 0.00 C ATOM 413 C LEU A 26 3.037 2.731 -7.412 1.00 0.00 C ATOM 414 O LEU A 26 3.139 3.249 -8.523 1.00 0.00 O ATOM 415 CB LEU A 26 3.382 4.395 -5.629 1.00 0.00 C ATOM 416 CG LEU A 26 3.974 4.619 -4.235 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.374 5.893 -3.638 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.632 3.439 -3.323 1.00 0.00 C ATOM 0 H LEU A 26 5.446 4.170 -7.310 1.00 0.00 H new ATOM 0 HA LEU A 26 3.994 2.330 -5.522 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.600 5.254 -6.264 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.297 4.317 -5.560 1.00 0.00 H new ATOM 0 HG LEU A 26 5.057 4.710 -4.317 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.790 6.060 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.612 6.742 -4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.292 5.786 -3.565 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.058 3.608 -2.334 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.549 3.345 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.045 2.522 -3.744 1.00 0.00 H new ATOM 430 N LYS A 27 2.128 1.818 -7.114 1.00 0.00 N ATOM 431 CA LYS A 27 1.165 1.353 -8.108 1.00 0.00 C ATOM 432 C LYS A 27 -0.192 1.133 -7.447 1.00 0.00 C ATOM 433 O LYS A 27 -0.269 0.775 -6.276 1.00 0.00 O ATOM 434 CB LYS A 27 1.635 0.045 -8.748 1.00 0.00 C ATOM 435 CG LYS A 27 2.446 0.353 -10.007 1.00 0.00 C ATOM 436 CD LYS A 27 3.086 -0.933 -10.533 1.00 0.00 C ATOM 437 CE LYS A 27 2.177 -1.563 -11.589 1.00 0.00 C ATOM 438 NZ LYS A 27 1.307 -2.590 -10.948 1.00 0.00 N ATOM 0 H LYS A 27 2.034 1.383 -6.196 1.00 0.00 H new ATOM 0 HA LYS A 27 1.079 2.113 -8.885 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.242 -0.520 -8.041 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.776 -0.578 -8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.801 0.788 -10.770 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.217 1.090 -9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.064 -0.715 -10.963 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.247 -1.633 -9.713 1.00 0.00 H new ATOM 0 HE2 LYS A 27 1.564 -0.795 -12.061 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.778 -2.020 -12.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.663 -3.540 -11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.317 -2.458 -9.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.334 -2.490 -11.301 1.00 0.00 H new ATOM 452 N ILE A 28 -1.262 1.361 -8.203 1.00 0.00 N ATOM 453 CA ILE A 28 -2.605 1.187 -7.668 1.00 0.00 C ATOM 454 C ILE A 28 -3.515 0.551 -8.714 1.00 0.00 C ATOM 455 O ILE A 28 -3.300 0.697 -9.917 1.00 0.00 O ATOM 456 CB ILE A 28 -3.190 2.537 -7.249 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.226 3.235 -6.287 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.534 2.318 -6.553 1.00 0.00 C ATOM 459 CD1 ILE A 28 -1.299 4.162 -7.075 1.00 0.00 C ATOM 0 H ILE A 28 -1.225 1.663 -9.177 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.542 0.534 -6.798 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.336 3.158 -8.133 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.785 3.807 -5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.640 2.495 -5.742 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.950 3.280 -6.255 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.222 1.822 -7.238 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.389 1.696 -5.670 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.613 4.659 -6.389 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.730 3.578 -7.798 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.893 4.910 -7.600 1.00 0.00 H new ATOM 471 N LEU A 29 -4.537 -0.152 -8.238 1.00 0.00 N ATOM 472 CA LEU A 29 -5.485 -0.805 -9.140 1.00 0.00 C ATOM 473 C LEU A 29 -6.910 -0.366 -8.818 1.00 0.00 C ATOM 474 O LEU A 29 -7.414 -0.592 -7.719 1.00 0.00 O ATOM 475 CB LEU A 29 -5.387 -2.333 -9.029 1.00 0.00 C ATOM 476 CG LEU A 29 -5.348 -2.755 -7.558 1.00 0.00 C ATOM 477 CD1 LEU A 29 -5.975 -4.142 -7.410 1.00 0.00 C ATOM 478 CD2 LEU A 29 -3.895 -2.801 -7.081 1.00 0.00 C ATOM 0 H LEU A 29 -4.731 -0.285 -7.245 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.234 -0.510 -10.159 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.240 -2.796 -9.525 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.491 -2.685 -9.540 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.907 -2.037 -6.958 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.948 -4.444 -6.363 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.009 -4.112 -7.752 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.415 -4.860 -8.009 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.865 -3.101 -6.034 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.338 -3.521 -7.681 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.445 -1.814 -7.188 1.00 0.00 H new ATOM 490 N ASN A 30 -7.552 0.271 -9.794 1.00 0.00 N ATOM 491 CA ASN A 30 -8.920 0.747 -9.607 1.00 0.00 C ATOM 492 C ASN A 30 -9.914 -0.400 -9.782 1.00 0.00 C ATOM 493 O ASN A 30 -10.715 -0.421 -10.720 1.00 0.00 O ATOM 494 CB ASN A 30 -9.241 1.858 -10.610 1.00 0.00 C ATOM 495 CG ASN A 30 -10.589 2.484 -10.264 1.00 0.00 C ATOM 496 OD1 ASN A 30 -11.637 1.884 -10.502 1.00 0.00 O ATOM 497 ND2 ASN A 30 -10.623 3.664 -9.709 1.00 0.00 N ATOM 0 H ASN A 30 -7.153 0.468 -10.712 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.006 1.143 -8.595 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.460 2.618 -10.589 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.265 1.453 -11.622 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.519 4.090 -9.472 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.754 4.160 -9.512 1.00 0.00 H new ATOM 504 N THR A 31 -9.855 -1.356 -8.861 1.00 0.00 N ATOM 505 CA THR A 31 -10.752 -2.507 -8.905 1.00 0.00 C ATOM 506 C THR A 31 -12.183 -2.063 -8.578 1.00 0.00 C ATOM 507 O THR A 31 -12.384 -1.225 -7.698 1.00 0.00 O ATOM 508 CB THR A 31 -10.304 -3.559 -7.884 1.00 0.00 C ATOM 509 OG1 THR A 31 -8.891 -3.695 -7.939 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.957 -4.904 -8.200 1.00 0.00 C ATOM 0 H THR A 31 -9.200 -1.358 -8.079 1.00 0.00 H new ATOM 0 HA THR A 31 -10.723 -2.938 -9.906 1.00 0.00 H new ATOM 0 HB THR A 31 -10.605 -3.242 -6.886 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.655 -4.646 -7.965 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.633 -5.646 -7.470 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.041 -4.801 -8.157 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.663 -5.226 -9.199 1.00 0.00 H new ATOM 518 N PRO A 32 -13.202 -2.606 -9.269 1.00 0.00 N ATOM 519 CA PRO A 32 -14.607 -2.227 -9.012 1.00 0.00 C ATOM 520 C PRO A 32 -15.161 -2.884 -7.754 1.00 0.00 C ATOM 521 O PRO A 32 -15.833 -2.243 -6.945 1.00 0.00 O ATOM 522 CB PRO A 32 -15.330 -2.717 -10.259 1.00 0.00 C ATOM 523 CG PRO A 32 -14.477 -3.821 -10.860 1.00 0.00 C ATOM 524 CD PRO A 32 -13.050 -3.624 -10.341 1.00 0.00 C ATOM 0 HA PRO A 32 -14.726 -1.158 -8.835 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.323 -3.090 -10.008 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.466 -1.903 -10.971 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.859 -4.801 -10.574 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.500 -3.776 -11.949 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.633 -4.554 -9.954 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.381 -3.278 -11.129 1.00 0.00 H new ATOM 532 N ASN A 33 -14.861 -4.166 -7.589 1.00 0.00 N ATOM 533 CA ASN A 33 -15.319 -4.900 -6.417 1.00 0.00 C ATOM 534 C ASN A 33 -14.752 -4.271 -5.143 1.00 0.00 C ATOM 535 O ASN A 33 -15.357 -4.343 -4.075 1.00 0.00 O ATOM 536 CB ASN A 33 -14.881 -6.364 -6.492 1.00 0.00 C ATOM 537 CG ASN A 33 -15.912 -7.239 -5.786 1.00 0.00 C ATOM 538 OD1 ASN A 33 -16.773 -7.837 -6.432 1.00 0.00 O ATOM 539 ND2 ASN A 33 -15.876 -7.350 -4.487 1.00 0.00 N ATOM 0 H ASN A 33 -14.307 -4.715 -8.246 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.408 -4.853 -6.394 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -14.779 -6.671 -7.533 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -13.903 -6.487 -6.026 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.561 -7.932 -4.006 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.163 -6.854 -3.952 1.00 0.00 H new ATOM 546 N CYS A 34 -13.580 -3.648 -5.275 1.00 0.00 N ATOM 547 CA CYS A 34 -12.933 -3.001 -4.138 1.00 0.00 C ATOM 548 C CYS A 34 -12.989 -1.485 -4.307 1.00 0.00 C ATOM 549 O CYS A 34 -13.645 -0.974 -5.215 1.00 0.00 O ATOM 550 CB CYS A 34 -11.465 -3.432 -4.033 1.00 0.00 C ATOM 551 SG CYS A 34 -11.354 -5.240 -4.011 1.00 0.00 S ATOM 0 H CYS A 34 -13.064 -3.579 -6.152 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.460 -3.298 -3.231 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.899 -3.034 -4.875 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.020 -3.020 -3.127 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.107 -5.597 -3.924 1.00 0.00 H new ATOM 556 N ALA A 35 -12.292 -0.771 -3.430 1.00 0.00 N ATOM 557 CA ALA A 35 -12.267 0.685 -3.503 1.00 0.00 C ATOM 558 C ALA A 35 -11.001 1.152 -4.218 1.00 0.00 C ATOM 559 O ALA A 35 -11.042 1.567 -5.377 1.00 0.00 O ATOM 560 CB ALA A 35 -12.323 1.295 -2.095 1.00 0.00 C ATOM 0 H ALA A 35 -11.743 -1.171 -2.669 1.00 0.00 H new ATOM 0 HA ALA A 35 -13.140 1.018 -4.065 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -12.303 2.382 -2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.241 0.981 -1.599 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.464 0.955 -1.517 1.00 0.00 H new ATOM 566 N LEU A 36 -9.879 1.068 -3.514 1.00 0.00 N ATOM 567 CA LEU A 36 -8.594 1.473 -4.080 1.00 0.00 C ATOM 568 C LEU A 36 -7.456 0.835 -3.293 1.00 0.00 C ATOM 569 O LEU A 36 -7.065 1.323 -2.232 1.00 0.00 O ATOM 570 CB LEU A 36 -8.439 2.996 -4.027 1.00 0.00 C ATOM 571 CG LEU A 36 -9.034 3.623 -5.295 1.00 0.00 C ATOM 572 CD1 LEU A 36 -10.415 4.204 -4.984 1.00 0.00 C ATOM 573 CD2 LEU A 36 -8.116 4.744 -5.794 1.00 0.00 C ATOM 0 H LEU A 36 -9.830 0.725 -2.555 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.559 1.143 -5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.942 3.391 -3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.385 3.261 -3.939 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.126 2.856 -6.064 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -10.834 4.648 -5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.073 3.410 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.323 4.968 -4.212 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -8.540 5.188 -6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.022 5.508 -5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -7.132 4.334 -6.021 1.00 0.00 H new ATOM 585 N GLN A 37 -6.924 -0.259 -3.827 1.00 0.00 N ATOM 586 CA GLN A 37 -5.823 -0.954 -3.169 1.00 0.00 C ATOM 587 C GLN A 37 -4.496 -0.447 -3.714 1.00 0.00 C ATOM 588 O GLN A 37 -4.189 -0.620 -4.896 1.00 0.00 O ATOM 589 CB GLN A 37 -5.916 -2.464 -3.403 1.00 0.00 C ATOM 590 CG GLN A 37 -7.245 -2.988 -2.854 1.00 0.00 C ATOM 591 CD GLN A 37 -8.338 -2.783 -3.894 1.00 0.00 C ATOM 592 OE1 GLN A 37 -9.137 -1.852 -3.793 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.421 -3.610 -4.901 1.00 0.00 N ATOM 0 H GLN A 37 -7.232 -0.680 -4.703 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.886 -0.757 -2.099 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.840 -2.682 -4.468 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.084 -2.970 -2.913 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.157 -4.046 -2.607 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.502 -2.465 -1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -7.758 -4.381 -4.984 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.148 -3.485 -5.605 1.00 0.00 H new ATOM 602 N ILE A 38 -3.712 0.189 -2.848 1.00 0.00 N ATOM 603 CA ILE A 38 -2.423 0.717 -3.271 1.00 0.00 C ATOM 604 C ILE A 38 -1.329 -0.323 -3.086 1.00 0.00 C ATOM 605 O ILE A 38 -1.028 -0.757 -1.971 1.00 0.00 O ATOM 606 CB ILE A 38 -2.044 1.977 -2.491 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.205 2.977 -2.524 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.807 2.611 -3.137 1.00 0.00 C ATOM 609 CD1 ILE A 38 -3.096 3.925 -1.329 1.00 0.00 C ATOM 0 H ILE A 38 -3.942 0.348 -1.867 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.517 0.972 -4.327 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.829 1.714 -1.455 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.184 3.544 -3.455 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.157 2.447 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.530 3.510 -2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.020 1.901 -3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.030 2.873 -4.171 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.922 4.636 -1.352 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.138 3.350 -0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.150 4.465 -1.378 1.00 0.00 H new ATOM 621 N VAL A 39 -0.718 -0.690 -4.200 1.00 0.00 N ATOM 622 CA VAL A 39 0.369 -1.654 -4.181 1.00 0.00 C ATOM 623 C VAL A 39 1.684 -0.903 -4.286 1.00 0.00 C ATOM 624 O VAL A 39 1.697 0.316 -4.461 1.00 0.00 O ATOM 625 CB VAL A 39 0.246 -2.651 -5.339 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.029 -3.477 -5.167 1.00 0.00 C ATOM 627 CG2 VAL A 39 0.186 -1.894 -6.667 1.00 0.00 C ATOM 0 H VAL A 39 -0.955 -0.336 -5.127 1.00 0.00 H new ATOM 0 HA VAL A 39 0.327 -2.219 -3.250 1.00 0.00 H new ATOM 0 HB VAL A 39 1.113 -3.312 -5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.117 -4.186 -5.990 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.986 -4.020 -4.223 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.894 -2.814 -5.165 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.099 -2.606 -7.488 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.679 -1.230 -6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.095 -1.306 -6.792 1.00 0.00 H new ATOM 637 N ALA A 40 2.788 -1.622 -4.162 1.00 0.00 N ATOM 638 CA ALA A 40 4.088 -0.976 -4.230 1.00 0.00 C ATOM 639 C ALA A 40 5.189 -1.969 -4.529 1.00 0.00 C ATOM 640 O ALA A 40 4.956 -3.167 -4.655 1.00 0.00 O ATOM 641 CB ALA A 40 4.402 -0.310 -2.898 1.00 0.00 C ATOM 0 H ALA A 40 2.812 -2.631 -4.017 1.00 0.00 H new ATOM 0 HA ALA A 40 4.044 -0.240 -5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.378 0.173 -2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.640 0.437 -2.676 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.414 -1.062 -2.109 1.00 0.00 H new ATOM 647 N ARG A 41 6.401 -1.439 -4.618 1.00 0.00 N ATOM 648 CA ARG A 41 7.574 -2.259 -4.878 1.00 0.00 C ATOM 649 C ARG A 41 8.760 -1.711 -4.088 1.00 0.00 C ATOM 650 O ARG A 41 9.246 -0.611 -4.360 1.00 0.00 O ATOM 651 CB ARG A 41 7.906 -2.262 -6.372 1.00 0.00 C ATOM 652 CG ARG A 41 9.068 -3.224 -6.648 1.00 0.00 C ATOM 653 CD ARG A 41 8.528 -4.532 -7.229 1.00 0.00 C ATOM 654 NE ARG A 41 9.625 -5.430 -7.580 1.00 0.00 N ATOM 655 CZ ARG A 41 10.393 -5.193 -8.639 1.00 0.00 C ATOM 656 NH1 ARG A 41 9.932 -5.407 -9.841 1.00 0.00 N ATOM 657 NH2 ARG A 41 11.609 -4.747 -8.477 1.00 0.00 N ATOM 0 H ARG A 41 6.597 -0.443 -4.514 1.00 0.00 H new ATOM 0 HA ARG A 41 7.366 -3.283 -4.567 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.030 -2.562 -6.947 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.171 -1.256 -6.696 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.772 -2.769 -7.345 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.615 -3.423 -5.726 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.873 -5.015 -6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.925 -4.322 -8.113 1.00 0.00 H new ATOM 0 HE ARG A 41 9.805 -6.252 -7.004 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.982 -5.756 -9.968 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.522 -5.225 -10.653 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.970 -4.580 -7.538 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.198 -4.565 -9.290 1.00 0.00 H new ATOM 671 N LEU A 42 9.206 -2.481 -3.094 1.00 0.00 N ATOM 672 CA LEU A 42 10.319 -2.054 -2.253 1.00 0.00 C ATOM 673 C LEU A 42 11.653 -2.293 -2.950 1.00 0.00 C ATOM 674 O LEU A 42 11.785 -3.182 -3.797 1.00 0.00 O ATOM 675 CB LEU A 42 10.330 -2.800 -0.915 1.00 0.00 C ATOM 676 CG LEU A 42 8.917 -2.888 -0.326 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.979 -3.641 1.002 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.367 -1.481 -0.083 1.00 0.00 C ATOM 0 H LEU A 42 8.817 -3.393 -2.855 1.00 0.00 H new ATOM 0 HA LEU A 42 10.183 -0.988 -2.070 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.732 -3.803 -1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.989 -2.288 -0.214 1.00 0.00 H new ATOM 0 HG LEU A 42 8.264 -3.413 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.978 -3.709 1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.370 -4.644 0.833 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.633 -3.108 1.692 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.363 -1.550 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.016 -0.952 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.330 -0.937 -1.027 1.00 0.00 H new ATOM 690 N LYS A 43 12.634 -1.480 -2.568 1.00 0.00 N ATOM 691 CA LYS A 43 13.979 -1.566 -3.135 1.00 0.00 C ATOM 692 C LYS A 43 14.812 -2.598 -2.382 1.00 0.00 C ATOM 693 O LYS A 43 15.184 -3.637 -2.928 1.00 0.00 O ATOM 694 CB LYS A 43 14.671 -0.196 -3.047 1.00 0.00 C ATOM 695 CG LYS A 43 14.675 0.475 -4.423 1.00 0.00 C ATOM 696 CD LYS A 43 15.977 0.141 -5.152 1.00 0.00 C ATOM 697 CE LYS A 43 15.987 0.826 -6.519 1.00 0.00 C ATOM 698 NZ LYS A 43 15.738 2.286 -6.346 1.00 0.00 N ATOM 0 H LYS A 43 12.523 -0.750 -1.864 1.00 0.00 H new ATOM 0 HA LYS A 43 13.894 -1.870 -4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.154 0.437 -2.326 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.693 -0.318 -2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.821 0.134 -5.008 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.575 1.555 -4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.832 0.471 -4.562 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.072 -0.938 -5.274 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.946 0.666 -7.011 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.223 0.390 -7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.299 2.819 -7.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.728 2.485 -6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 16.013 2.574 -5.385 1.00 0.00 H new ATOM 712 N ASN A 44 15.104 -2.292 -1.121 1.00 0.00 N ATOM 713 CA ASN A 44 15.900 -3.184 -0.278 1.00 0.00 C ATOM 714 C ASN A 44 15.339 -4.608 -0.287 1.00 0.00 C ATOM 715 O ASN A 44 16.065 -5.576 -0.059 1.00 0.00 O ATOM 716 CB ASN A 44 15.926 -2.673 1.163 1.00 0.00 C ATOM 717 CG ASN A 44 17.064 -1.671 1.328 1.00 0.00 C ATOM 718 OD1 ASN A 44 18.139 -2.017 1.817 1.00 0.00 O ATOM 719 ND2 ASN A 44 16.891 -0.437 0.942 1.00 0.00 N ATOM 0 H ASN A 44 14.802 -1.434 -0.659 1.00 0.00 H new ATOM 0 HA ASN A 44 16.911 -3.199 -0.685 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.974 -2.202 1.410 1.00 0.00 H new ATOM 0 HB3 ASN A 44 16.058 -3.506 1.853 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.646 0.240 1.046 1.00 0.00 H new ATOM 0 HD22 ASN A 44 16.000 -0.150 0.537 1.00 0.00 H new ATOM 726 N ASN A 45 14.040 -4.725 -0.553 1.00 0.00 N ATOM 727 CA ASN A 45 13.395 -6.037 -0.589 1.00 0.00 C ATOM 728 C ASN A 45 13.413 -6.583 -2.010 1.00 0.00 C ATOM 729 O ASN A 45 13.521 -7.790 -2.228 1.00 0.00 O ATOM 730 CB ASN A 45 11.930 -5.969 -0.125 1.00 0.00 C ATOM 731 CG ASN A 45 11.758 -4.970 1.020 1.00 0.00 C ATOM 732 OD1 ASN A 45 12.139 -3.806 0.905 1.00 0.00 O ATOM 733 ND2 ASN A 45 11.192 -5.359 2.127 1.00 0.00 N ATOM 0 H ASN A 45 13.419 -3.939 -0.745 1.00 0.00 H new ATOM 0 HA ASN A 45 13.951 -6.686 0.087 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.294 -5.680 -0.962 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.602 -6.957 0.199 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.066 -4.699 2.895 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.875 -6.323 2.226 1.00 0.00 H new ATOM 740 N ASN A 46 13.289 -5.676 -2.977 1.00 0.00 N ATOM 741 CA ASN A 46 13.273 -6.068 -4.384 1.00 0.00 C ATOM 742 C ASN A 46 12.048 -6.936 -4.656 1.00 0.00 C ATOM 743 O ASN A 46 12.149 -8.044 -5.188 1.00 0.00 O ATOM 744 CB ASN A 46 14.546 -6.841 -4.752 1.00 0.00 C ATOM 745 CG ASN A 46 14.806 -6.711 -6.248 1.00 0.00 C ATOM 746 OD1 ASN A 46 15.285 -5.677 -6.714 1.00 0.00 O ATOM 747 ND2 ASN A 46 14.517 -7.709 -7.038 1.00 0.00 N ATOM 0 H ASN A 46 13.199 -4.673 -2.814 1.00 0.00 H new ATOM 0 HA ASN A 46 13.231 -5.166 -4.995 1.00 0.00 H new ATOM 0 HB2 ASN A 46 15.395 -6.453 -4.190 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.437 -7.891 -4.481 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.688 -7.632 -8.041 1.00 0.00 H new ATOM 0 HD22 ASN A 46 14.120 -8.566 -6.653 1.00 0.00 H new ATOM 754 N ARG A 47 10.883 -6.417 -4.276 1.00 0.00 N ATOM 755 CA ARG A 47 9.633 -7.153 -4.472 1.00 0.00 C ATOM 756 C ARG A 47 8.436 -6.213 -4.376 1.00 0.00 C ATOM 757 O ARG A 47 8.577 -5.042 -4.033 1.00 0.00 O ATOM 758 CB ARG A 47 9.488 -8.255 -3.417 1.00 0.00 C ATOM 759 CG ARG A 47 10.107 -9.561 -3.939 1.00 0.00 C ATOM 760 CD ARG A 47 11.336 -9.929 -3.101 1.00 0.00 C ATOM 761 NE ARG A 47 10.996 -10.945 -2.108 1.00 0.00 N ATOM 762 CZ ARG A 47 11.820 -11.221 -1.102 1.00 0.00 C ATOM 763 NH1 ARG A 47 12.958 -11.817 -1.334 1.00 0.00 N ATOM 764 NH2 ARG A 47 11.491 -10.897 0.118 1.00 0.00 N ATOM 0 H ARG A 47 10.776 -5.503 -3.836 1.00 0.00 H new ATOM 0 HA ARG A 47 9.662 -7.602 -5.465 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.980 -7.953 -2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.435 -8.410 -3.182 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.372 -10.365 -3.895 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.391 -9.446 -4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 47 12.129 -10.299 -3.751 1.00 0.00 H new ATOM 0 HD3 ARG A 47 11.722 -9.040 -2.602 1.00 0.00 H new ATOM 0 HE ARG A 47 10.113 -11.450 -2.188 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.215 -12.071 -2.288 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.590 -12.028 -0.562 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.602 -10.432 0.300 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.123 -11.109 0.890 1.00 0.00 H new ATOM 778 N GLN A 48 7.256 -6.746 -4.691 1.00 0.00 N ATOM 779 CA GLN A 48 6.029 -5.949 -4.648 1.00 0.00 C ATOM 780 C GLN A 48 5.280 -6.171 -3.333 1.00 0.00 C ATOM 781 O GLN A 48 5.184 -7.296 -2.844 1.00 0.00 O ATOM 782 CB GLN A 48 5.112 -6.335 -5.814 1.00 0.00 C ATOM 783 CG GLN A 48 3.916 -5.380 -5.874 1.00 0.00 C ATOM 784 CD GLN A 48 2.717 -6.104 -6.477 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.579 -6.181 -7.698 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.832 -6.645 -5.685 1.00 0.00 N ATOM 0 H GLN A 48 7.123 -7.716 -4.976 1.00 0.00 H new ATOM 0 HA GLN A 48 6.308 -4.898 -4.726 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.666 -6.297 -6.752 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.764 -7.361 -5.690 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.673 -5.022 -4.874 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.165 -4.505 -6.474 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.946 -6.581 -4.673 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.026 -7.132 -6.078 1.00 0.00 H new ATOM 795 N VAL A 49 4.750 -5.085 -2.762 1.00 0.00 N ATOM 796 CA VAL A 49 4.011 -5.193 -1.498 1.00 0.00 C ATOM 797 C VAL A 49 2.880 -4.172 -1.431 1.00 0.00 C ATOM 798 O VAL A 49 2.922 -3.133 -2.085 1.00 0.00 O ATOM 799 CB VAL A 49 4.936 -4.953 -0.301 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.880 -6.141 -0.130 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.752 -3.678 -0.529 1.00 0.00 C ATOM 0 H VAL A 49 4.815 -4.141 -3.143 1.00 0.00 H new ATOM 0 HA VAL A 49 3.601 -6.202 -1.458 1.00 0.00 H new ATOM 0 HB VAL A 49 4.333 -4.841 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.536 -5.965 0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.298 -7.047 0.041 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.481 -6.261 -1.031 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.409 -3.509 0.324 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.351 -3.786 -1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.077 -2.829 -0.640 1.00 0.00 H new ATOM 811 N CYS A 50 1.879 -4.472 -0.603 1.00 0.00 N ATOM 812 CA CYS A 50 0.752 -3.563 -0.425 1.00 0.00 C ATOM 813 C CYS A 50 1.061 -2.621 0.731 1.00 0.00 C ATOM 814 O CYS A 50 1.271 -3.066 1.861 1.00 0.00 O ATOM 815 CB CYS A 50 -0.529 -4.342 -0.105 1.00 0.00 C ATOM 816 SG CYS A 50 -0.857 -5.552 -1.414 1.00 0.00 S ATOM 0 H CYS A 50 1.827 -5.328 -0.051 1.00 0.00 H new ATOM 0 HA CYS A 50 0.599 -3.004 -1.348 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.427 -4.849 0.854 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.370 -3.655 -0.014 1.00 0.00 H new ATOM 821 N ILE A 51 1.105 -1.320 0.451 1.00 0.00 N ATOM 822 CA ILE A 51 1.414 -0.357 1.507 1.00 0.00 C ATOM 823 C ILE A 51 0.161 0.021 2.275 1.00 0.00 C ATOM 824 O ILE A 51 -0.951 -0.037 1.753 1.00 0.00 O ATOM 825 CB ILE A 51 2.058 0.915 0.955 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.168 0.556 -0.034 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.666 1.702 2.116 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.723 1.836 -0.657 1.00 0.00 C ATOM 0 H ILE A 51 0.936 -0.916 -0.470 1.00 0.00 H new ATOM 0 HA ILE A 51 2.125 -0.845 2.174 1.00 0.00 H new ATOM 0 HB ILE A 51 1.301 1.510 0.444 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.963 0.012 0.476 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.779 -0.102 -0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.129 2.612 1.735 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.883 1.963 2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.420 1.092 2.614 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.515 1.584 -1.363 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.924 2.362 -1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.126 2.477 0.127 1.00 0.00 H new ATOM 840 N ASP A 52 0.360 0.397 3.533 1.00 0.00 N ATOM 841 CA ASP A 52 -0.755 0.771 4.391 1.00 0.00 C ATOM 842 C ASP A 52 -1.213 2.201 4.080 1.00 0.00 C ATOM 843 O ASP A 52 -0.386 3.076 3.821 1.00 0.00 O ATOM 844 CB ASP A 52 -0.338 0.684 5.865 1.00 0.00 C ATOM 845 CG ASP A 52 -1.463 0.057 6.686 1.00 0.00 C ATOM 846 OD1 ASP A 52 -1.733 -1.115 6.485 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.036 0.760 7.502 1.00 0.00 O ATOM 0 H ASP A 52 1.276 0.450 3.978 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.578 0.082 4.203 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.570 0.088 5.961 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.108 1.679 6.247 1.00 0.00 H new ATOM 852 N PRO A 53 -2.531 2.465 4.103 1.00 0.00 N ATOM 853 CA PRO A 53 -3.065 3.813 3.820 1.00 0.00 C ATOM 854 C PRO A 53 -2.882 4.776 4.993 1.00 0.00 C ATOM 855 O PRO A 53 -2.941 5.995 4.825 1.00 0.00 O ATOM 856 CB PRO A 53 -4.542 3.550 3.561 1.00 0.00 C ATOM 857 CG PRO A 53 -4.888 2.248 4.261 1.00 0.00 C ATOM 858 CD PRO A 53 -3.584 1.463 4.417 1.00 0.00 C ATOM 0 HA PRO A 53 -2.549 4.293 2.988 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.153 4.368 3.943 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.740 3.478 2.491 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.340 2.442 5.234 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.614 1.679 3.680 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.473 1.068 5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.544 0.613 3.736 1.00 0.00 H new ATOM 866 N LYS A 54 -2.658 4.219 6.181 1.00 0.00 N ATOM 867 CA LYS A 54 -2.467 5.043 7.369 1.00 0.00 C ATOM 868 C LYS A 54 -0.982 5.304 7.636 1.00 0.00 C ATOM 869 O LYS A 54 -0.618 5.779 8.713 1.00 0.00 O ATOM 870 CB LYS A 54 -3.077 4.358 8.594 1.00 0.00 C ATOM 871 CG LYS A 54 -3.450 5.415 9.636 1.00 0.00 C ATOM 872 CD LYS A 54 -4.556 4.870 10.542 1.00 0.00 C ATOM 873 CE LYS A 54 -5.294 6.035 11.205 1.00 0.00 C ATOM 874 NZ LYS A 54 -6.004 5.545 12.420 1.00 0.00 N ATOM 0 H LYS A 54 -2.605 3.214 6.345 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.965 5.996 7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.961 3.790 8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.367 3.648 9.018 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.576 5.679 10.230 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.786 6.326 9.141 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.254 4.268 9.960 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.129 4.217 11.303 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.588 6.820 11.475 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.006 6.473 10.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.506 6.336 12.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.688 4.810 12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.314 5.146 13.088 1.00 0.00 H new ATOM 888 N LEU A 55 -0.121 5.002 6.658 1.00 0.00 N ATOM 889 CA LEU A 55 1.310 5.232 6.839 1.00 0.00 C ATOM 890 C LEU A 55 1.580 6.722 7.010 1.00 0.00 C ATOM 891 O LEU A 55 0.758 7.563 6.645 1.00 0.00 O ATOM 892 CB LEU A 55 2.105 4.690 5.645 1.00 0.00 C ATOM 893 CG LEU A 55 2.731 3.336 6.011 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.464 2.757 4.795 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.720 3.517 7.170 1.00 0.00 C ATOM 0 H LEU A 55 -0.384 4.607 5.755 1.00 0.00 H new ATOM 0 HA LEU A 55 1.632 4.702 7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.450 4.577 4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.885 5.398 5.364 1.00 0.00 H new ATOM 0 HG LEU A 55 1.941 2.649 6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.906 1.797 5.060 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.758 2.618 3.977 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.250 3.445 4.483 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.161 2.554 7.426 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.508 4.209 6.872 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.195 3.917 8.037 1.00 0.00 H new ATOM 907 N LYS A 56 2.724 7.038 7.603 1.00 0.00 N ATOM 908 CA LYS A 56 3.074 8.428 7.856 1.00 0.00 C ATOM 909 C LYS A 56 3.522 9.144 6.591 1.00 0.00 C ATOM 910 O LYS A 56 3.234 10.326 6.409 1.00 0.00 O ATOM 911 CB LYS A 56 4.175 8.531 8.918 1.00 0.00 C ATOM 912 CG LYS A 56 5.426 7.774 8.455 1.00 0.00 C ATOM 913 CD LYS A 56 6.447 8.764 7.889 1.00 0.00 C ATOM 914 CE LYS A 56 7.846 8.150 7.957 1.00 0.00 C ATOM 915 NZ LYS A 56 8.777 8.937 7.099 1.00 0.00 N ATOM 0 H LYS A 56 3.418 6.359 7.915 1.00 0.00 H new ATOM 0 HA LYS A 56 2.171 8.916 8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.420 9.578 9.099 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.820 8.119 9.863 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.861 7.226 9.290 1.00 0.00 H new ATOM 0 HG3 LYS A 56 5.158 7.039 7.696 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.197 9.011 6.857 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.419 9.695 8.455 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.202 8.143 8.987 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.816 7.113 7.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.728 8.519 7.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.439 8.922 6.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.814 9.920 7.437 1.00 0.00 H new ATOM 929 N TRP A 57 4.228 8.438 5.718 1.00 0.00 N ATOM 930 CA TRP A 57 4.685 9.065 4.486 1.00 0.00 C ATOM 931 C TRP A 57 3.614 8.968 3.409 1.00 0.00 C ATOM 932 O TRP A 57 3.530 9.822 2.525 1.00 0.00 O ATOM 933 CB TRP A 57 6.003 8.461 3.991 1.00 0.00 C ATOM 934 CG TRP A 57 5.850 7.018 3.623 1.00 0.00 C ATOM 935 CD1 TRP A 57 5.924 5.971 4.480 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.626 6.451 2.304 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.782 4.797 3.758 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.591 5.044 2.416 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.455 7.019 1.034 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.398 4.228 1.305 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.252 6.202 -0.091 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.227 4.806 0.047 1.00 0.00 C ATOM 0 H TRP A 57 4.491 7.459 5.834 1.00 0.00 H new ATOM 0 HA TRP A 57 4.871 10.117 4.704 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.357 9.021 3.126 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.762 8.560 4.767 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.069 6.040 5.548 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.815 3.864 4.169 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.479 8.093 0.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.381 3.154 1.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.115 6.650 -1.064 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.076 4.180 -0.820 1.00 0.00 H new ATOM 953 N ILE A 58 2.785 7.929 3.490 1.00 0.00 N ATOM 954 CA ILE A 58 1.730 7.769 2.513 1.00 0.00 C ATOM 955 C ILE A 58 0.567 8.715 2.824 1.00 0.00 C ATOM 956 O ILE A 58 -0.240 9.000 1.946 1.00 0.00 O ATOM 957 CB ILE A 58 1.266 6.298 2.424 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.369 5.520 1.657 1.00 0.00 C ATOM 959 CG2 ILE A 58 -0.105 6.190 1.701 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.809 4.316 0.884 1.00 0.00 C ATOM 0 H ILE A 58 2.827 7.205 4.207 1.00 0.00 H new ATOM 0 HA ILE A 58 2.125 8.036 1.533 1.00 0.00 H new ATOM 0 HB ILE A 58 1.124 5.877 3.419 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.868 6.194 0.961 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.124 5.175 2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.409 5.144 1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.853 6.760 2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.016 6.590 0.691 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.621 3.807 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.334 3.625 1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.074 4.661 0.157 1.00 0.00 H new ATOM 972 N GLN A 59 0.482 9.213 4.062 1.00 0.00 N ATOM 973 CA GLN A 59 -0.600 10.130 4.383 1.00 0.00 C ATOM 974 C GLN A 59 -0.403 11.440 3.622 1.00 0.00 C ATOM 975 O GLN A 59 -1.367 12.116 3.264 1.00 0.00 O ATOM 976 CB GLN A 59 -0.699 10.403 5.889 1.00 0.00 C ATOM 977 CG GLN A 59 0.606 11.016 6.409 1.00 0.00 C ATOM 978 CD GLN A 59 0.307 12.295 7.188 1.00 0.00 C ATOM 979 OE1 GLN A 59 -0.200 13.267 6.628 1.00 0.00 O ATOM 980 NE2 GLN A 59 0.593 12.352 8.461 1.00 0.00 N ATOM 0 H GLN A 59 1.124 9.004 4.826 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.536 9.661 4.079 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.530 11.079 6.088 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.909 9.475 6.420 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.123 10.302 7.050 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.272 11.236 5.575 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.013 11.547 8.926 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.396 13.201 8.990 1.00 0.00 H new ATOM 989 N GLU A 60 0.861 11.775 3.344 1.00 0.00 N ATOM 990 CA GLU A 60 1.163 12.985 2.588 1.00 0.00 C ATOM 991 C GLU A 60 0.952 12.708 1.102 1.00 0.00 C ATOM 992 O GLU A 60 0.475 13.559 0.353 1.00 0.00 O ATOM 993 CB GLU A 60 2.611 13.421 2.819 1.00 0.00 C ATOM 994 CG GLU A 60 2.701 14.230 4.115 1.00 0.00 C ATOM 995 CD GLU A 60 3.954 15.098 4.087 1.00 0.00 C ATOM 996 OE1 GLU A 60 3.874 16.203 3.575 1.00 0.00 O ATOM 997 OE2 GLU A 60 4.975 14.647 4.579 1.00 0.00 O ATOM 0 H GLU A 60 1.677 11.232 3.628 1.00 0.00 H new ATOM 0 HA GLU A 60 0.501 13.784 2.923 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.260 12.547 2.878 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.960 14.021 1.978 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.815 14.855 4.228 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.730 13.559 4.974 1.00 0.00 H new ATOM 1004 N TYR A 61 1.306 11.488 0.699 1.00 0.00 N ATOM 1005 CA TYR A 61 1.147 11.066 -0.690 1.00 0.00 C ATOM 1006 C TYR A 61 -0.344 10.999 -1.032 1.00 0.00 C ATOM 1007 O TYR A 61 -0.804 11.604 -2.000 1.00 0.00 O ATOM 1008 CB TYR A 61 1.828 9.684 -0.885 1.00 0.00 C ATOM 1009 CG TYR A 61 1.239 8.909 -2.051 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.050 9.527 -3.290 1.00 0.00 C ATOM 1011 CD2 TYR A 61 0.872 7.572 -1.871 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.496 8.804 -4.355 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.316 6.849 -2.930 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.128 7.464 -4.174 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.419 6.750 -5.221 1.00 0.00 O ATOM 0 H TYR A 61 1.703 10.777 1.313 1.00 0.00 H new ATOM 0 HA TYR A 61 1.621 11.783 -1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.896 9.828 -1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.723 9.098 0.028 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.331 10.561 -3.427 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.018 7.097 -0.912 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.353 9.279 -5.314 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.032 5.817 -2.789 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.067 7.092 -6.069 1.00 0.00 H new ATOM 1025 N LEU A 62 -1.081 10.250 -0.224 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.512 10.093 -0.436 1.00 0.00 C ATOM 1027 C LEU A 62 -3.215 11.446 -0.348 1.00 0.00 C ATOM 1028 O LEU A 62 -4.259 11.661 -0.965 1.00 0.00 O ATOM 1029 CB LEU A 62 -3.089 9.148 0.619 1.00 0.00 C ATOM 1030 CG LEU A 62 -4.102 8.201 -0.028 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -3.383 6.943 -0.520 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -5.163 7.809 1.003 1.00 0.00 C ATOM 0 H LEU A 62 -0.713 9.743 0.581 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.674 9.675 -1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.287 8.574 1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.570 9.723 1.411 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.579 8.701 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.104 6.268 -0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.626 7.220 -1.253 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.906 6.443 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.885 7.134 0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.685 7.309 1.845 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.676 8.704 1.356 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.626 12.355 0.424 1.00 0.00 N ATOM 1045 CA GLU A 63 -3.199 13.689 0.583 1.00 0.00 C ATOM 1046 C GLU A 63 -3.111 14.460 -0.730 1.00 0.00 C ATOM 1047 O GLU A 63 -3.988 15.258 -1.059 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.455 14.466 1.672 1.00 0.00 C ATOM 1049 CG GLU A 63 -3.151 14.253 3.018 1.00 0.00 C ATOM 1050 CD GLU A 63 -2.262 14.779 4.140 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -1.626 15.800 3.936 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -2.230 14.153 5.187 1.00 0.00 O ATOM 0 H GLU A 63 -1.763 12.196 0.944 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.244 13.578 0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.419 14.131 1.729 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.434 15.528 1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.111 14.769 3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.357 13.193 3.169 1.00 0.00 H new ATOM 1059 N LYS A 64 -2.039 14.209 -1.476 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.837 14.882 -2.756 1.00 0.00 C ATOM 1061 C LYS A 64 -2.573 14.140 -3.868 1.00 0.00 C ATOM 1062 O LYS A 64 -3.169 14.753 -4.754 1.00 0.00 O ATOM 1063 CB LYS A 64 -0.346 14.943 -3.099 1.00 0.00 C ATOM 1064 CG LYS A 64 -0.138 15.822 -4.334 1.00 0.00 C ATOM 1065 CD LYS A 64 1.016 15.264 -5.171 1.00 0.00 C ATOM 1066 CE LYS A 64 2.347 15.739 -4.587 1.00 0.00 C ATOM 1067 NZ LYS A 64 3.471 15.107 -5.334 1.00 0.00 N ATOM 0 H LYS A 64 -1.303 13.551 -1.220 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.231 15.895 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.215 15.345 -2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.036 13.939 -3.286 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.051 15.853 -4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.080 16.846 -4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.979 14.175 -5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.922 15.595 -6.205 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.418 16.825 -4.652 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.406 15.478 -3.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.376 15.430 -4.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.405 14.072 -5.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.417 15.377 -6.337 1.00 0.00 H new ATOM 1081 N ALA A 65 -2.521 12.812 -3.811 1.00 0.00 N ATOM 1082 CA ALA A 65 -3.185 11.990 -4.819 1.00 0.00 C ATOM 1083 C ALA A 65 -4.691 12.230 -4.799 1.00 0.00 C ATOM 1084 O ALA A 65 -5.357 12.177 -5.832 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.915 10.506 -4.563 1.00 0.00 C ATOM 0 H ALA A 65 -2.032 12.287 -3.086 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.786 12.270 -5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.417 9.908 -5.324 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.842 10.319 -4.605 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.293 10.232 -3.578 1.00 0.00 H new