USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=5 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 -160:sc= 0.0299 USER MOD Set 1.2: A 37 GLN : amide:sc= -5.66! C(o=-5.6!,f=-9.9!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.00535 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -1.04 K(o=-1,f=-11!) USER MOD Single : A 24 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.00658) USER MOD Single : A 25 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.21) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -1.76! C(o=-1.8!,f=-6.7!) USER MOD Single : A 33 ASN : amide:sc= -0.214 K(o=-0.21,f=-4.5!) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -1.59 K(o=-1.6,f=-4!) USER MOD Single : A 45 ASN : amide:sc= -7.27 K(o=-7.3,f=-13!) USER MOD Single : A 46 ASN : amide:sc= -0.295 X(o=-0.3,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= -0.25 X(o=-0.25,f=-0.29) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N PRO A 10 -7.236 -7.688 -4.545 1.00 0.00 N ATOM 152 CA PRO A 10 -5.884 -8.097 -4.974 1.00 0.00 C ATOM 153 C PRO A 10 -4.876 -8.062 -3.829 1.00 0.00 C ATOM 154 O PRO A 10 -3.991 -8.912 -3.735 1.00 0.00 O ATOM 155 CB PRO A 10 -5.540 -7.066 -6.041 1.00 0.00 C ATOM 156 CG PRO A 10 -6.389 -5.836 -5.762 1.00 0.00 C ATOM 157 CD PRO A 10 -7.550 -6.274 -4.864 1.00 0.00 C ATOM 0 HA PRO A 10 -5.853 -9.126 -5.333 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.479 -6.817 -6.009 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.746 -7.459 -7.037 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.796 -5.063 -5.273 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.763 -5.409 -6.692 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.611 -5.664 -3.962 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.508 -6.182 -5.376 1.00 0.00 H new ATOM 165 N CYS A 11 -5.030 -7.075 -2.954 1.00 0.00 N ATOM 166 CA CYS A 11 -4.138 -6.945 -1.806 1.00 0.00 C ATOM 167 C CYS A 11 -4.683 -7.750 -0.635 1.00 0.00 C ATOM 168 O CYS A 11 -5.895 -7.888 -0.463 1.00 0.00 O ATOM 169 CB CYS A 11 -3.997 -5.482 -1.380 1.00 0.00 C ATOM 170 SG CYS A 11 -2.766 -4.655 -2.422 1.00 0.00 S ATOM 0 H CYS A 11 -5.755 -6.360 -3.015 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.158 -7.323 -2.098 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.958 -4.975 -1.465 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.698 -5.426 -0.333 1.00 0.00 H new ATOM 175 N ARG A 12 -3.772 -8.278 0.166 1.00 0.00 N ATOM 176 CA ARG A 12 -4.155 -9.074 1.328 1.00 0.00 C ATOM 177 C ARG A 12 -3.243 -8.753 2.502 1.00 0.00 C ATOM 178 O ARG A 12 -3.701 -8.501 3.616 1.00 0.00 O ATOM 179 CB ARG A 12 -4.060 -10.568 1.012 1.00 0.00 C ATOM 180 CG ARG A 12 -5.038 -10.916 -0.111 1.00 0.00 C ATOM 181 CD ARG A 12 -5.217 -12.433 -0.182 1.00 0.00 C ATOM 182 NE ARG A 12 -6.213 -12.787 -1.191 1.00 0.00 N ATOM 183 CZ ARG A 12 -6.466 -14.059 -1.488 1.00 0.00 C ATOM 184 NH1 ARG A 12 -7.040 -14.831 -0.606 1.00 0.00 N ATOM 185 NH2 ARG A 12 -6.141 -14.533 -2.659 1.00 0.00 N ATOM 0 H ARG A 12 -2.766 -8.172 0.037 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.185 -8.829 1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.043 -10.824 0.715 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.289 -11.154 1.902 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.999 -10.434 0.068 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.664 -10.539 -1.063 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.265 -12.906 -0.422 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.526 -12.814 0.791 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.722 -12.048 -1.675 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.294 -14.459 0.309 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.235 -15.806 -0.832 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.693 -13.928 -3.347 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.335 -15.508 -2.886 1.00 0.00 H new ATOM 199 N PHE A 13 -1.944 -8.754 2.231 1.00 0.00 N ATOM 200 CA PHE A 13 -0.960 -8.447 3.266 1.00 0.00 C ATOM 201 C PHE A 13 -0.383 -7.061 3.022 1.00 0.00 C ATOM 202 O PHE A 13 0.073 -6.746 1.923 1.00 0.00 O ATOM 203 CB PHE A 13 0.182 -9.467 3.264 1.00 0.00 C ATOM 204 CG PHE A 13 -0.378 -10.871 3.249 1.00 0.00 C ATOM 205 CD1 PHE A 13 -0.871 -11.440 4.429 1.00 0.00 C ATOM 206 CD2 PHE A 13 -0.404 -11.601 2.055 1.00 0.00 C ATOM 207 CE1 PHE A 13 -1.390 -12.740 4.416 1.00 0.00 C ATOM 208 CE2 PHE A 13 -0.924 -12.901 2.042 1.00 0.00 C ATOM 209 CZ PHE A 13 -1.416 -13.471 3.222 1.00 0.00 C ATOM 0 H PHE A 13 -1.548 -8.961 1.314 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.462 -8.486 4.233 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.818 -9.311 2.393 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.808 -9.326 4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -0.851 -10.876 5.350 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.023 -11.162 1.145 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.770 -13.179 5.327 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.945 -13.464 1.121 1.00 0.00 H new ATOM 0 HZ PHE A 13 -1.816 -14.474 3.212 1.00 0.00 H new ATOM 219 N PHE A 14 -0.415 -6.231 4.055 1.00 0.00 N ATOM 220 CA PHE A 14 0.099 -4.871 3.938 1.00 0.00 C ATOM 221 C PHE A 14 1.365 -4.696 4.760 1.00 0.00 C ATOM 222 O PHE A 14 1.411 -5.034 5.943 1.00 0.00 O ATOM 223 CB PHE A 14 -0.942 -3.860 4.414 1.00 0.00 C ATOM 224 CG PHE A 14 -1.961 -3.656 3.326 1.00 0.00 C ATOM 225 CD1 PHE A 14 -2.840 -4.687 2.982 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.020 -2.433 2.657 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.781 -4.492 1.964 1.00 0.00 C ATOM 228 CE2 PHE A 14 -2.958 -2.235 1.641 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.840 -3.264 1.293 1.00 0.00 C ATOM 0 H PHE A 14 -0.787 -6.470 4.974 1.00 0.00 H new ATOM 0 HA PHE A 14 0.325 -4.696 2.886 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.427 -4.219 5.322 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.462 -2.914 4.662 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.793 -5.633 3.501 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.340 -1.638 2.925 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.461 -5.288 1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.002 -1.288 1.124 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.566 -3.111 0.508 1.00 0.00 H new ATOM 239 N GLU A 15 2.392 -4.154 4.117 1.00 0.00 N ATOM 240 CA GLU A 15 3.660 -3.923 4.796 1.00 0.00 C ATOM 241 C GLU A 15 3.757 -2.466 5.245 1.00 0.00 C ATOM 242 O GLU A 15 4.459 -1.656 4.639 1.00 0.00 O ATOM 243 CB GLU A 15 4.832 -4.251 3.868 1.00 0.00 C ATOM 244 CG GLU A 15 6.108 -4.421 4.695 1.00 0.00 C ATOM 245 CD GLU A 15 6.199 -5.857 5.200 1.00 0.00 C ATOM 246 OE1 GLU A 15 6.209 -6.755 4.374 1.00 0.00 O ATOM 247 OE2 GLU A 15 6.259 -6.038 6.405 1.00 0.00 O ATOM 0 H GLU A 15 2.373 -3.869 3.138 1.00 0.00 H new ATOM 0 HA GLU A 15 3.706 -4.574 5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.623 -5.164 3.311 1.00 0.00 H new ATOM 0 HB3 GLU A 15 4.964 -3.454 3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 15 6.982 -4.181 4.089 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.104 -3.728 5.536 1.00 0.00 H new ATOM 254 N SER A 16 3.036 -2.142 6.318 1.00 0.00 N ATOM 255 CA SER A 16 3.037 -0.777 6.846 1.00 0.00 C ATOM 256 C SER A 16 4.452 -0.342 7.224 1.00 0.00 C ATOM 257 O SER A 16 4.781 0.844 7.184 1.00 0.00 O ATOM 258 CB SER A 16 2.141 -0.680 8.081 1.00 0.00 C ATOM 259 OG SER A 16 2.396 -1.788 8.935 1.00 0.00 O ATOM 0 H SER A 16 2.450 -2.798 6.834 1.00 0.00 H new ATOM 0 HA SER A 16 2.655 -0.120 6.065 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.332 0.253 8.611 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.092 -0.669 7.784 1.00 0.00 H new ATOM 0 HG SER A 16 1.824 -1.728 9.729 1.00 0.00 H new ATOM 265 N HIS A 17 5.288 -1.315 7.586 1.00 0.00 N ATOM 266 CA HIS A 17 6.670 -1.021 7.962 1.00 0.00 C ATOM 267 C HIS A 17 7.409 -0.305 6.828 1.00 0.00 C ATOM 268 O HIS A 17 8.418 0.363 7.057 1.00 0.00 O ATOM 269 CB HIS A 17 7.417 -2.314 8.300 1.00 0.00 C ATOM 270 CG HIS A 17 6.788 -2.955 9.506 1.00 0.00 C ATOM 271 ND1 HIS A 17 6.053 -4.128 9.421 1.00 0.00 N ATOM 272 CD2 HIS A 17 6.777 -2.602 10.833 1.00 0.00 C ATOM 273 CE1 HIS A 17 5.633 -4.434 10.662 1.00 0.00 C ATOM 274 NE2 HIS A 17 6.047 -3.537 11.560 1.00 0.00 N ATOM 0 H HIS A 17 5.036 -2.303 7.627 1.00 0.00 H new ATOM 0 HA HIS A 17 6.642 -0.371 8.836 1.00 0.00 H new ATOM 0 HB2 HIS A 17 7.384 -2.998 7.452 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.468 -2.099 8.495 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.261 -1.731 11.249 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.034 -5.300 10.902 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.867 -3.537 12.564 1.00 0.00 H new ATOM 282 N VAL A 18 6.898 -0.448 5.602 1.00 0.00 N ATOM 283 CA VAL A 18 7.513 0.186 4.440 1.00 0.00 C ATOM 284 C VAL A 18 7.657 1.692 4.652 1.00 0.00 C ATOM 285 O VAL A 18 6.926 2.308 5.429 1.00 0.00 O ATOM 286 CB VAL A 18 6.662 -0.076 3.185 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.277 0.611 1.958 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.598 -1.581 2.929 1.00 0.00 C ATOM 0 H VAL A 18 6.063 -0.995 5.392 1.00 0.00 H new ATOM 0 HA VAL A 18 8.506 -0.244 4.305 1.00 0.00 H new ATOM 0 HB VAL A 18 5.663 0.326 3.351 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.659 0.413 1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.328 1.686 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.281 0.223 1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.996 -1.774 2.041 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.606 -1.967 2.775 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.146 -2.077 3.788 1.00 0.00 H new ATOM 298 N ALA A 19 8.608 2.263 3.932 1.00 0.00 N ATOM 299 CA ALA A 19 8.873 3.690 4.000 1.00 0.00 C ATOM 300 C ALA A 19 9.332 4.177 2.633 1.00 0.00 C ATOM 301 O ALA A 19 10.063 3.480 1.931 1.00 0.00 O ATOM 302 CB ALA A 19 9.955 3.993 5.037 1.00 0.00 C ATOM 0 H ALA A 19 9.214 1.755 3.288 1.00 0.00 H new ATOM 0 HA ALA A 19 7.958 4.203 4.295 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.136 5.067 5.070 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.625 3.650 6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.876 3.478 4.763 1.00 0.00 H new ATOM 308 N ARG A 20 8.883 5.373 2.258 1.00 0.00 N ATOM 309 CA ARG A 20 9.230 5.962 0.953 1.00 0.00 C ATOM 310 C ARG A 20 10.713 5.763 0.602 1.00 0.00 C ATOM 311 O ARG A 20 11.078 5.681 -0.571 1.00 0.00 O ATOM 312 CB ARG A 20 8.907 7.460 0.948 1.00 0.00 C ATOM 313 CG ARG A 20 9.158 8.054 -0.445 1.00 0.00 C ATOM 314 CD ARG A 20 8.159 7.477 -1.455 1.00 0.00 C ATOM 315 NE ARG A 20 8.858 6.946 -2.622 1.00 0.00 N ATOM 316 CZ ARG A 20 8.737 7.520 -3.815 1.00 0.00 C ATOM 317 NH1 ARG A 20 9.411 8.604 -4.089 1.00 0.00 N ATOM 318 NH2 ARG A 20 7.943 7.001 -4.712 1.00 0.00 N ATOM 0 H ARG A 20 8.278 5.958 2.834 1.00 0.00 H new ATOM 0 HA ARG A 20 8.633 5.446 0.200 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.867 7.616 1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.522 7.974 1.686 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.063 9.139 -0.408 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.177 7.834 -0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.573 6.687 -0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.458 8.252 -1.765 1.00 0.00 H new ATOM 0 HE ARG A 20 9.449 6.121 -2.520 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.030 9.010 -3.388 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.318 9.045 -5.004 1.00 0.00 H new ATOM 0 HH21 ARG A 20 7.415 6.155 -4.498 1.00 0.00 H new ATOM 0 HH22 ARG A 20 7.850 7.442 -5.627 1.00 0.00 H new ATOM 332 N ALA A 21 11.557 5.688 1.628 1.00 0.00 N ATOM 333 CA ALA A 21 12.989 5.499 1.408 1.00 0.00 C ATOM 334 C ALA A 21 13.258 4.190 0.670 1.00 0.00 C ATOM 335 O ALA A 21 13.793 4.184 -0.439 1.00 0.00 O ATOM 336 CB ALA A 21 13.738 5.481 2.742 1.00 0.00 C ATOM 0 H ALA A 21 11.280 5.754 2.607 1.00 0.00 H new ATOM 0 HA ALA A 21 13.343 6.332 0.801 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.803 5.339 2.559 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.581 6.427 3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.364 4.664 3.358 1.00 0.00 H new ATOM 342 N ASN A 22 12.886 3.083 1.302 1.00 0.00 N ATOM 343 CA ASN A 22 13.096 1.767 0.706 1.00 0.00 C ATOM 344 C ASN A 22 12.075 1.471 -0.396 1.00 0.00 C ATOM 345 O ASN A 22 12.188 0.464 -1.092 1.00 0.00 O ATOM 346 CB ASN A 22 13.006 0.683 1.780 1.00 0.00 C ATOM 347 CG ASN A 22 11.657 0.761 2.485 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.356 1.747 3.158 1.00 0.00 O ATOM 349 ND2 ASN A 22 10.818 -0.233 2.372 1.00 0.00 N ATOM 0 H ASN A 22 12.441 3.068 2.220 1.00 0.00 H new ATOM 0 HA ASN A 22 14.090 1.768 0.259 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.133 -0.301 1.328 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.812 0.808 2.503 1.00 0.00 H new ATOM 0 HD21 ASN A 22 9.913 -0.193 2.841 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.067 -1.050 1.814 1.00 0.00 H new ATOM 356 N VAL A 23 11.086 2.352 -0.570 1.00 0.00 N ATOM 357 CA VAL A 23 10.090 2.138 -1.617 1.00 0.00 C ATOM 358 C VAL A 23 10.698 2.502 -2.968 1.00 0.00 C ATOM 359 O VAL A 23 11.374 3.522 -3.107 1.00 0.00 O ATOM 360 CB VAL A 23 8.837 2.988 -1.367 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.775 2.673 -2.427 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.272 2.676 0.026 1.00 0.00 C ATOM 0 H VAL A 23 10.956 3.198 -0.015 1.00 0.00 H new ATOM 0 HA VAL A 23 9.795 1.089 -1.610 1.00 0.00 H new ATOM 0 HB VAL A 23 9.105 4.043 -1.425 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.888 3.279 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.171 2.898 -3.417 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.510 1.617 -2.374 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.382 3.281 0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.010 1.620 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.022 2.906 0.783 1.00 0.00 H new ATOM 372 N LYS A 24 10.466 1.647 -3.957 1.00 0.00 N ATOM 373 CA LYS A 24 11.011 1.874 -5.292 1.00 0.00 C ATOM 374 C LYS A 24 10.047 2.697 -6.136 1.00 0.00 C ATOM 375 O LYS A 24 10.409 3.742 -6.677 1.00 0.00 O ATOM 376 CB LYS A 24 11.272 0.542 -5.995 1.00 0.00 C ATOM 377 CG LYS A 24 12.479 0.681 -6.925 1.00 0.00 C ATOM 378 CD LYS A 24 12.828 -0.685 -7.519 1.00 0.00 C ATOM 379 CE LYS A 24 13.840 -0.507 -8.652 1.00 0.00 C ATOM 380 NZ LYS A 24 14.571 -1.788 -8.870 1.00 0.00 N ATOM 0 H LYS A 24 9.910 0.797 -3.863 1.00 0.00 H new ATOM 0 HA LYS A 24 11.948 2.419 -5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.456 -0.240 -5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.393 0.242 -6.566 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.257 1.390 -7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.332 1.078 -6.374 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.241 -1.334 -6.747 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.927 -1.170 -7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.329 -0.207 -9.567 1.00 0.00 H new ATOM 0 HE3 LYS A 24 14.543 0.288 -8.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.107 -1.735 -9.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.227 -1.952 -8.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.890 -2.572 -8.923 1.00 0.00 H new ATOM 394 N HIS A 25 8.816 2.212 -6.250 1.00 0.00 N ATOM 395 CA HIS A 25 7.810 2.915 -7.040 1.00 0.00 C ATOM 396 C HIS A 25 6.415 2.642 -6.494 1.00 0.00 C ATOM 397 O HIS A 25 6.185 1.650 -5.803 1.00 0.00 O ATOM 398 CB HIS A 25 7.869 2.467 -8.502 1.00 0.00 C ATOM 399 CG HIS A 25 7.273 3.535 -9.377 1.00 0.00 C ATOM 400 ND1 HIS A 25 7.892 4.760 -9.575 1.00 0.00 N ATOM 401 CD2 HIS A 25 6.115 3.577 -10.113 1.00 0.00 C ATOM 402 CE1 HIS A 25 7.110 5.480 -10.401 1.00 0.00 C ATOM 403 NE2 HIS A 25 6.014 4.806 -10.759 1.00 0.00 N ATOM 0 H HIS A 25 8.493 1.349 -5.813 1.00 0.00 H new ATOM 0 HA HIS A 25 8.021 3.983 -6.978 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.902 2.277 -8.794 1.00 0.00 H new ATOM 0 HB3 HIS A 25 7.324 1.531 -8.629 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.392 2.778 -10.181 1.00 0.00 H new ATOM 0 HE1 HIS A 25 7.341 6.481 -10.734 1.00 0.00 H new ATOM 0 HE2 HIS A 25 5.264 5.123 -11.373 1.00 0.00 H new ATOM 411 N LEU A 26 5.483 3.534 -6.816 1.00 0.00 N ATOM 412 CA LEU A 26 4.109 3.377 -6.353 1.00 0.00 C ATOM 413 C LEU A 26 3.194 2.983 -7.503 1.00 0.00 C ATOM 414 O LEU A 26 3.364 3.423 -8.640 1.00 0.00 O ATOM 415 CB LEU A 26 3.577 4.678 -5.749 1.00 0.00 C ATOM 416 CG LEU A 26 3.935 4.770 -4.261 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.413 6.098 -3.703 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.285 3.613 -3.493 1.00 0.00 C ATOM 0 H LEU A 26 5.651 4.362 -7.388 1.00 0.00 H new ATOM 0 HA LEU A 26 4.117 2.595 -5.594 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.997 5.531 -6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.495 4.726 -5.872 1.00 0.00 H new ATOM 0 HG LEU A 26 5.018 4.713 -4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.663 6.172 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.873 6.926 -4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.331 6.143 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.545 3.686 -2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.202 3.665 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.646 2.664 -3.890 1.00 0.00 H new ATOM 430 N LYS A 27 2.212 2.160 -7.176 1.00 0.00 N ATOM 431 CA LYS A 27 1.237 1.706 -8.165 1.00 0.00 C ATOM 432 C LYS A 27 -0.096 1.426 -7.480 1.00 0.00 C ATOM 433 O LYS A 27 -0.143 1.168 -6.279 1.00 0.00 O ATOM 434 CB LYS A 27 1.727 0.436 -8.863 1.00 0.00 C ATOM 435 CG LYS A 27 2.493 0.814 -10.132 1.00 0.00 C ATOM 436 CD LYS A 27 1.521 1.390 -11.163 1.00 0.00 C ATOM 437 CE LYS A 27 2.110 1.228 -12.566 1.00 0.00 C ATOM 438 NZ LYS A 27 1.028 1.386 -13.580 1.00 0.00 N ATOM 0 H LYS A 27 2.065 1.791 -6.237 1.00 0.00 H new ATOM 0 HA LYS A 27 1.111 2.490 -8.912 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.371 -0.134 -8.193 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.881 -0.204 -9.113 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.267 1.545 -9.898 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.996 -0.063 -10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.561 0.878 -11.099 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.335 2.444 -10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.890 1.970 -12.732 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.576 0.248 -12.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.427 1.276 -14.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.298 0.662 -13.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.603 2.331 -13.490 1.00 0.00 H new ATOM 452 N ILE A 28 -1.182 1.486 -8.246 1.00 0.00 N ATOM 453 CA ILE A 28 -2.504 1.242 -7.686 1.00 0.00 C ATOM 454 C ILE A 28 -3.322 0.346 -8.613 1.00 0.00 C ATOM 455 O ILE A 28 -3.118 0.329 -9.826 1.00 0.00 O ATOM 456 CB ILE A 28 -3.247 2.564 -7.483 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.377 3.518 -6.660 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.557 2.304 -6.742 1.00 0.00 C ATOM 459 CD1 ILE A 28 -3.033 4.899 -6.616 1.00 0.00 C ATOM 0 H ILE A 28 -1.172 1.699 -9.244 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.377 0.744 -6.725 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.461 3.012 -8.453 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.251 3.131 -5.649 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.382 3.590 -7.100 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.086 3.246 -6.597 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.177 1.625 -7.327 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.343 1.855 -5.772 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.413 5.578 -6.030 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.136 5.285 -7.630 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.018 4.819 -6.157 1.00 0.00 H new ATOM 471 N LEU A 29 -4.259 -0.390 -8.022 1.00 0.00 N ATOM 472 CA LEU A 29 -5.117 -1.282 -8.796 1.00 0.00 C ATOM 473 C LEU A 29 -6.581 -0.905 -8.592 1.00 0.00 C ATOM 474 O LEU A 29 -7.099 -0.946 -7.476 1.00 0.00 O ATOM 475 CB LEU A 29 -4.913 -2.740 -8.364 1.00 0.00 C ATOM 476 CG LEU A 29 -3.699 -3.351 -9.083 1.00 0.00 C ATOM 477 CD1 LEU A 29 -3.931 -3.348 -10.596 1.00 0.00 C ATOM 478 CD2 LEU A 29 -2.436 -2.543 -8.758 1.00 0.00 C ATOM 0 H LEU A 29 -4.443 -0.387 -7.019 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.851 -1.180 -9.848 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.766 -2.788 -7.285 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.807 -3.321 -8.590 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.568 -4.378 -8.740 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -3.066 -3.782 -11.098 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.819 -3.936 -10.829 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.073 -2.324 -10.940 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.581 -2.983 -9.271 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.568 -1.513 -9.089 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -2.261 -2.559 -7.682 1.00 0.00 H new ATOM 490 N ASN A 30 -7.239 -0.530 -9.684 1.00 0.00 N ATOM 491 CA ASN A 30 -8.644 -0.138 -9.618 1.00 0.00 C ATOM 492 C ASN A 30 -9.548 -1.362 -9.719 1.00 0.00 C ATOM 493 O ASN A 30 -9.632 -2.008 -10.763 1.00 0.00 O ATOM 494 CB ASN A 30 -8.984 0.827 -10.756 1.00 0.00 C ATOM 495 CG ASN A 30 -10.238 1.615 -10.395 1.00 0.00 C ATOM 496 OD1 ASN A 30 -10.298 2.252 -9.342 1.00 0.00 O ATOM 497 ND2 ASN A 30 -11.255 1.612 -11.213 1.00 0.00 N ATOM 0 H ASN A 30 -6.828 -0.489 -10.617 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.809 0.355 -8.660 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.151 1.508 -10.931 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.143 0.274 -11.681 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.098 2.137 -10.980 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.207 1.085 -12.085 1.00 0.00 H new ATOM 504 N THR A 31 -10.227 -1.669 -8.617 1.00 0.00 N ATOM 505 CA THR A 31 -11.129 -2.815 -8.581 1.00 0.00 C ATOM 506 C THR A 31 -12.539 -2.363 -8.180 1.00 0.00 C ATOM 507 O THR A 31 -12.688 -1.470 -7.347 1.00 0.00 O ATOM 508 CB THR A 31 -10.628 -3.848 -7.568 1.00 0.00 C ATOM 509 OG1 THR A 31 -9.210 -3.809 -7.519 1.00 0.00 O ATOM 510 CG2 THR A 31 -11.088 -5.245 -7.985 1.00 0.00 C ATOM 0 H THR A 31 -10.170 -1.145 -7.744 1.00 0.00 H new ATOM 0 HA THR A 31 -11.158 -3.263 -9.574 1.00 0.00 H new ATOM 0 HB THR A 31 -11.034 -3.616 -6.583 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.873 -4.646 -7.137 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.729 -5.977 -7.262 1.00 0.00 H new ATOM 0 HG22 THR A 31 -12.177 -5.274 -8.021 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.686 -5.481 -8.970 1.00 0.00 H new ATOM 518 N PRO A 32 -13.593 -2.963 -8.761 1.00 0.00 N ATOM 519 CA PRO A 32 -14.984 -2.590 -8.434 1.00 0.00 C ATOM 520 C PRO A 32 -15.484 -3.266 -7.164 1.00 0.00 C ATOM 521 O PRO A 32 -16.013 -2.617 -6.262 1.00 0.00 O ATOM 522 CB PRO A 32 -15.757 -3.077 -9.652 1.00 0.00 C ATOM 523 CG PRO A 32 -14.930 -4.184 -10.292 1.00 0.00 C ATOM 524 CD PRO A 32 -13.497 -4.046 -9.771 1.00 0.00 C ATOM 0 HA PRO A 32 -15.095 -1.524 -8.237 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.740 -3.449 -9.362 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.920 -2.261 -10.356 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -15.338 -5.163 -10.039 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.953 -4.101 -11.379 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -13.141 -4.976 -9.328 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.803 -3.787 -10.571 1.00 0.00 H new ATOM 532 N ASN A 33 -15.304 -4.581 -7.104 1.00 0.00 N ATOM 533 CA ASN A 33 -15.729 -5.347 -5.940 1.00 0.00 C ATOM 534 C ASN A 33 -15.024 -4.852 -4.676 1.00 0.00 C ATOM 535 O ASN A 33 -15.533 -5.005 -3.566 1.00 0.00 O ATOM 536 CB ASN A 33 -15.417 -6.833 -6.135 1.00 0.00 C ATOM 537 CG ASN A 33 -16.030 -7.314 -7.444 1.00 0.00 C ATOM 538 OD1 ASN A 33 -15.592 -6.922 -8.526 1.00 0.00 O ATOM 539 ND2 ASN A 33 -17.032 -8.151 -7.412 1.00 0.00 N ATOM 0 H ASN A 33 -14.870 -5.135 -7.842 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.805 -5.211 -5.827 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -14.338 -6.990 -6.147 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.814 -7.411 -5.301 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.451 -8.479 -8.282 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -17.396 -8.477 -6.517 1.00 0.00 H new ATOM 546 N CYS A 34 -13.844 -4.260 -4.858 1.00 0.00 N ATOM 547 CA CYS A 34 -13.075 -3.748 -3.727 1.00 0.00 C ATOM 548 C CYS A 34 -12.793 -2.259 -3.910 1.00 0.00 C ATOM 549 O CYS A 34 -13.262 -1.636 -4.863 1.00 0.00 O ATOM 550 CB CYS A 34 -11.747 -4.498 -3.605 1.00 0.00 C ATOM 551 SG CYS A 34 -12.070 -6.249 -3.283 1.00 0.00 S ATOM 0 H CYS A 34 -13.404 -4.124 -5.768 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.661 -3.898 -2.820 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -11.169 -4.387 -4.522 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.150 -4.073 -2.798 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.942 -6.887 -3.181 1.00 0.00 H new ATOM 556 N ALA A 35 -12.022 -1.694 -2.985 1.00 0.00 N ATOM 557 CA ALA A 35 -11.684 -0.275 -3.051 1.00 0.00 C ATOM 558 C ALA A 35 -10.335 -0.080 -3.745 1.00 0.00 C ATOM 559 O ALA A 35 -9.795 -1.005 -4.350 1.00 0.00 O ATOM 560 CB ALA A 35 -11.617 0.322 -1.642 1.00 0.00 C ATOM 0 H ALA A 35 -11.623 -2.191 -2.188 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.460 0.233 -3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.364 1.380 -1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.585 0.209 -1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.855 -0.198 -1.062 1.00 0.00 H new ATOM 566 N LEU A 36 -9.799 1.136 -3.650 1.00 0.00 N ATOM 567 CA LEU A 36 -8.512 1.442 -4.269 1.00 0.00 C ATOM 568 C LEU A 36 -7.374 0.922 -3.398 1.00 0.00 C ATOM 569 O LEU A 36 -6.993 1.546 -2.408 1.00 0.00 O ATOM 570 CB LEU A 36 -8.350 2.959 -4.448 1.00 0.00 C ATOM 571 CG LEU A 36 -9.120 3.443 -5.687 1.00 0.00 C ATOM 572 CD1 LEU A 36 -8.564 2.767 -6.943 1.00 0.00 C ATOM 573 CD2 LEU A 36 -10.609 3.106 -5.542 1.00 0.00 C ATOM 0 H LEU A 36 -10.231 1.917 -3.156 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.480 0.957 -5.245 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.716 3.476 -3.561 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.294 3.208 -4.549 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.002 4.523 -5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.114 3.115 -7.817 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.509 3.018 -7.055 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.672 1.686 -6.853 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.148 3.452 -6.424 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.730 2.027 -5.443 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.009 3.599 -4.656 1.00 0.00 H new ATOM 585 N GLN A 37 -6.834 -0.230 -3.784 1.00 0.00 N ATOM 586 CA GLN A 37 -5.733 -0.835 -3.037 1.00 0.00 C ATOM 587 C GLN A 37 -4.404 -0.356 -3.604 1.00 0.00 C ATOM 588 O GLN A 37 -4.009 -0.747 -4.704 1.00 0.00 O ATOM 589 CB GLN A 37 -5.777 -2.368 -3.121 1.00 0.00 C ATOM 590 CG GLN A 37 -7.206 -2.872 -2.885 1.00 0.00 C ATOM 591 CD GLN A 37 -7.923 -3.008 -4.224 1.00 0.00 C ATOM 592 OE1 GLN A 37 -7.552 -2.360 -5.204 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.939 -3.817 -4.329 1.00 0.00 N ATOM 0 H GLN A 37 -7.136 -0.760 -4.601 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.834 -0.535 -1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.425 -2.696 -4.099 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.105 -2.799 -2.379 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.184 -3.834 -2.372 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.746 -2.179 -2.240 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.248 -4.355 -3.519 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.425 -3.913 -5.221 1.00 0.00 H new ATOM 602 N ILE A 38 -3.718 0.499 -2.852 1.00 0.00 N ATOM 603 CA ILE A 38 -2.436 1.018 -3.313 1.00 0.00 C ATOM 604 C ILE A 38 -1.354 -0.043 -3.194 1.00 0.00 C ATOM 605 O ILE A 38 -1.027 -0.515 -2.101 1.00 0.00 O ATOM 606 CB ILE A 38 -2.009 2.252 -2.518 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.155 3.267 -2.488 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.786 2.884 -3.195 1.00 0.00 C ATOM 609 CD1 ILE A 38 -2.862 4.335 -1.432 1.00 0.00 C ATOM 0 H ILE A 38 -4.020 0.841 -1.940 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.564 1.300 -4.358 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.759 1.962 -1.497 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.270 3.731 -3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.095 2.764 -2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.475 3.765 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 38 0.030 2.162 -3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.043 3.174 -4.214 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.677 5.058 -1.410 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.769 3.863 -0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.931 4.845 -1.679 1.00 0.00 H new ATOM 621 N VAL A 39 -0.782 -0.388 -4.337 1.00 0.00 N ATOM 622 CA VAL A 39 0.288 -1.371 -4.375 1.00 0.00 C ATOM 623 C VAL A 39 1.619 -0.643 -4.460 1.00 0.00 C ATOM 624 O VAL A 39 1.659 0.581 -4.594 1.00 0.00 O ATOM 625 CB VAL A 39 0.133 -2.315 -5.573 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.165 -3.110 -5.433 1.00 0.00 C ATOM 627 CG2 VAL A 39 0.091 -1.501 -6.868 1.00 0.00 C ATOM 0 H VAL A 39 -1.039 -0.004 -5.246 1.00 0.00 H new ATOM 0 HA VAL A 39 0.245 -1.974 -3.468 1.00 0.00 H new ATOM 0 HB VAL A 39 0.980 -3.000 -5.602 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.274 -3.781 -6.285 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.137 -3.694 -4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.011 -2.423 -5.401 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.019 -2.175 -7.718 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.754 -0.813 -6.838 1.00 0.00 H new ATOM 0 HG23 VAL A 39 1.016 -0.934 -6.972 1.00 0.00 H new ATOM 637 N ALA A 40 2.707 -1.390 -4.362 1.00 0.00 N ATOM 638 CA ALA A 40 4.023 -0.774 -4.407 1.00 0.00 C ATOM 639 C ALA A 40 5.102 -1.785 -4.734 1.00 0.00 C ATOM 640 O ALA A 40 4.837 -2.969 -4.910 1.00 0.00 O ATOM 641 CB ALA A 40 4.352 -0.161 -3.055 1.00 0.00 C ATOM 0 H ALA A 40 2.707 -2.404 -4.253 1.00 0.00 H new ATOM 0 HA ALA A 40 3.997 -0.012 -5.186 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.339 0.299 -3.095 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.608 0.597 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.345 -0.939 -2.291 1.00 0.00 H new ATOM 647 N ARG A 41 6.330 -1.285 -4.783 1.00 0.00 N ATOM 648 CA ARG A 41 7.490 -2.124 -5.057 1.00 0.00 C ATOM 649 C ARG A 41 8.663 -1.656 -4.199 1.00 0.00 C ATOM 650 O ARG A 41 9.200 -0.564 -4.399 1.00 0.00 O ATOM 651 CB ARG A 41 7.867 -2.053 -6.537 1.00 0.00 C ATOM 652 CG ARG A 41 9.005 -3.035 -6.829 1.00 0.00 C ATOM 653 CD ARG A 41 8.426 -4.348 -7.359 1.00 0.00 C ATOM 654 NE ARG A 41 8.407 -4.351 -8.819 1.00 0.00 N ATOM 655 CZ ARG A 41 9.481 -4.708 -9.517 1.00 0.00 C ATOM 656 NH1 ARG A 41 9.790 -5.971 -9.640 1.00 0.00 N ATOM 657 NH2 ARG A 41 10.227 -3.797 -10.080 1.00 0.00 N ATOM 0 H ARG A 41 6.549 -0.300 -4.636 1.00 0.00 H new ATOM 0 HA ARG A 41 7.246 -3.158 -4.814 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.001 -2.292 -7.154 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.173 -1.039 -6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.690 -2.606 -7.560 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.581 -3.220 -5.922 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.021 -5.186 -6.996 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.415 -4.486 -6.977 1.00 0.00 H new ATOM 0 HE ARG A 41 7.557 -4.075 -9.311 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.207 -6.684 -9.201 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.614 -6.245 -10.175 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.986 -2.810 -9.985 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.051 -4.072 -10.615 1.00 0.00 H new ATOM 671 N LEU A 42 9.032 -2.485 -3.219 1.00 0.00 N ATOM 672 CA LEU A 42 10.118 -2.147 -2.303 1.00 0.00 C ATOM 673 C LEU A 42 11.484 -2.402 -2.932 1.00 0.00 C ATOM 674 O LEU A 42 11.611 -3.137 -3.914 1.00 0.00 O ATOM 675 CB LEU A 42 10.010 -2.980 -1.026 1.00 0.00 C ATOM 676 CG LEU A 42 8.592 -2.892 -0.460 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.471 -3.819 0.748 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.300 -1.454 -0.028 1.00 0.00 C ATOM 0 H LEU A 42 8.596 -3.390 -3.042 1.00 0.00 H new ATOM 0 HA LEU A 42 10.027 -1.085 -2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.262 -4.019 -1.238 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.728 -2.623 -0.288 1.00 0.00 H new ATOM 0 HG LEU A 42 7.877 -3.192 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.461 -3.758 1.154 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.678 -4.844 0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.187 -3.517 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.289 -1.393 0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.015 -1.152 0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.388 -0.791 -0.888 1.00 0.00 H new ATOM 690 N LYS A 43 12.503 -1.778 -2.338 1.00 0.00 N ATOM 691 CA LYS A 43 13.875 -1.917 -2.819 1.00 0.00 C ATOM 692 C LYS A 43 14.704 -2.759 -1.853 1.00 0.00 C ATOM 693 O LYS A 43 15.495 -3.606 -2.264 1.00 0.00 O ATOM 694 CB LYS A 43 14.529 -0.535 -2.955 1.00 0.00 C ATOM 695 CG LYS A 43 14.402 -0.041 -4.396 1.00 0.00 C ATOM 696 CD LYS A 43 15.381 -0.808 -5.287 1.00 0.00 C ATOM 697 CE LYS A 43 16.796 -0.266 -5.076 1.00 0.00 C ATOM 698 NZ LYS A 43 17.764 -1.089 -5.855 1.00 0.00 N ATOM 0 H LYS A 43 12.402 -1.172 -1.524 1.00 0.00 H new ATOM 0 HA LYS A 43 13.842 -2.410 -3.790 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.052 0.171 -2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.580 -0.590 -2.671 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.382 -0.184 -4.752 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.610 1.028 -4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.348 -1.871 -5.050 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.093 -0.706 -6.333 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.849 0.775 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 43 17.052 -0.290 -4.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 18.726 -0.721 -5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.719 -2.076 -5.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.523 -1.044 -6.866 1.00 0.00 H new ATOM 712 N ASN A 44 14.517 -2.505 -0.557 1.00 0.00 N ATOM 713 CA ASN A 44 15.255 -3.228 0.480 1.00 0.00 C ATOM 714 C ASN A 44 15.137 -4.740 0.294 1.00 0.00 C ATOM 715 O ASN A 44 16.067 -5.491 0.587 1.00 0.00 O ATOM 716 CB ASN A 44 14.723 -2.858 1.866 1.00 0.00 C ATOM 717 CG ASN A 44 15.436 -1.608 2.367 1.00 0.00 C ATOM 718 OD1 ASN A 44 15.473 -0.588 1.678 1.00 0.00 O ATOM 719 ND2 ASN A 44 16.011 -1.624 3.538 1.00 0.00 N ATOM 0 H ASN A 44 13.864 -1.807 -0.201 1.00 0.00 H new ATOM 0 HA ASN A 44 16.303 -2.942 0.395 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.648 -2.683 1.820 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.882 -3.683 2.560 1.00 0.00 H new ATOM 0 HD21 ASN A 44 16.491 -0.792 3.882 1.00 0.00 H new ATOM 0 HD22 ASN A 44 15.981 -2.468 4.109 1.00 0.00 H new ATOM 726 N ASN A 45 13.982 -5.174 -0.196 1.00 0.00 N ATOM 727 CA ASN A 45 13.749 -6.598 -0.420 1.00 0.00 C ATOM 728 C ASN A 45 13.653 -6.901 -1.914 1.00 0.00 C ATOM 729 O ASN A 45 14.010 -7.989 -2.366 1.00 0.00 O ATOM 730 CB ASN A 45 12.458 -7.046 0.271 1.00 0.00 C ATOM 731 CG ASN A 45 11.286 -6.208 -0.228 1.00 0.00 C ATOM 732 OD1 ASN A 45 10.800 -5.324 0.479 1.00 0.00 O ATOM 733 ND2 ASN A 45 10.796 -6.437 -1.414 1.00 0.00 N ATOM 0 H ASN A 45 13.199 -4.569 -0.444 1.00 0.00 H new ATOM 0 HA ASN A 45 14.592 -7.145 0.002 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.274 -8.101 0.069 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.558 -6.941 1.351 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.010 -5.884 -1.757 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.198 -7.169 -1.999 1.00 0.00 H new ATOM 740 N ASN A 46 13.166 -5.919 -2.677 1.00 0.00 N ATOM 741 CA ASN A 46 13.017 -6.068 -4.131 1.00 0.00 C ATOM 742 C ASN A 46 11.815 -6.946 -4.463 1.00 0.00 C ATOM 743 O ASN A 46 11.952 -8.141 -4.720 1.00 0.00 O ATOM 744 CB ASN A 46 14.274 -6.677 -4.768 1.00 0.00 C ATOM 745 CG ASN A 46 14.367 -6.244 -6.227 1.00 0.00 C ATOM 746 OD1 ASN A 46 15.239 -5.455 -6.594 1.00 0.00 O ATOM 747 ND2 ASN A 46 13.511 -6.717 -7.091 1.00 0.00 N ATOM 0 H ASN A 46 12.868 -5.013 -2.315 1.00 0.00 H new ATOM 0 HA ASN A 46 12.866 -5.069 -4.540 1.00 0.00 H new ATOM 0 HB2 ASN A 46 15.162 -6.355 -4.225 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.237 -7.764 -4.702 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.564 -6.433 -8.069 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.789 -7.370 -6.788 1.00 0.00 H new ATOM 754 N ARG A 47 10.635 -6.329 -4.465 1.00 0.00 N ATOM 755 CA ARG A 47 9.398 -7.050 -4.778 1.00 0.00 C ATOM 756 C ARG A 47 8.203 -6.109 -4.661 1.00 0.00 C ATOM 757 O ARG A 47 8.328 -4.985 -4.177 1.00 0.00 O ATOM 758 CB ARG A 47 9.198 -8.247 -3.833 1.00 0.00 C ATOM 759 CG ARG A 47 9.513 -9.553 -4.572 1.00 0.00 C ATOM 760 CD ARG A 47 8.219 -10.155 -5.123 1.00 0.00 C ATOM 761 NE ARG A 47 8.323 -11.609 -5.206 1.00 0.00 N ATOM 762 CZ ARG A 47 7.280 -12.350 -5.571 1.00 0.00 C ATOM 763 NH1 ARG A 47 6.117 -12.163 -5.008 1.00 0.00 N ATOM 764 NH2 ARG A 47 7.420 -13.264 -6.492 1.00 0.00 N ATOM 0 H ARG A 47 10.507 -5.339 -4.255 1.00 0.00 H new ATOM 0 HA ARG A 47 9.476 -7.423 -5.799 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.846 -8.146 -2.962 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.172 -8.265 -3.466 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.213 -9.363 -5.386 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.995 -10.259 -3.895 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.382 -9.881 -4.481 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.012 -9.743 -6.111 1.00 0.00 H new ATOM 0 HE ARG A 47 9.208 -12.063 -4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.008 -11.449 -4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.318 -12.731 -5.288 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.329 -13.410 -6.932 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.621 -13.832 -6.772 1.00 0.00 H new ATOM 778 N GLN A 48 7.044 -6.580 -5.115 1.00 0.00 N ATOM 779 CA GLN A 48 5.831 -5.767 -5.065 1.00 0.00 C ATOM 780 C GLN A 48 5.036 -6.049 -3.792 1.00 0.00 C ATOM 781 O GLN A 48 4.866 -7.203 -3.397 1.00 0.00 O ATOM 782 CB GLN A 48 4.947 -6.057 -6.280 1.00 0.00 C ATOM 783 CG GLN A 48 3.787 -5.060 -6.326 1.00 0.00 C ATOM 784 CD GLN A 48 2.596 -5.696 -7.034 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.570 -5.786 -8.262 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.598 -6.149 -6.326 1.00 0.00 N ATOM 0 H GLN A 48 6.919 -7.509 -5.517 1.00 0.00 H new ATOM 0 HA GLN A 48 6.133 -4.720 -5.071 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.536 -5.987 -7.195 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.562 -7.075 -6.226 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.507 -4.765 -5.315 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.093 -4.154 -6.849 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.619 -6.075 -5.309 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.797 -6.577 -6.790 1.00 0.00 H new ATOM 795 N VAL A 49 4.548 -4.984 -3.149 1.00 0.00 N ATOM 796 CA VAL A 49 3.768 -5.153 -1.916 1.00 0.00 C ATOM 797 C VAL A 49 2.586 -4.190 -1.877 1.00 0.00 C ATOM 798 O VAL A 49 2.400 -3.373 -2.773 1.00 0.00 O ATOM 799 CB VAL A 49 4.630 -4.898 -0.674 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.571 -6.078 -0.446 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.450 -3.617 -0.863 1.00 0.00 C ATOM 0 H VAL A 49 4.674 -4.018 -3.451 1.00 0.00 H new ATOM 0 HA VAL A 49 3.409 -6.182 -1.912 1.00 0.00 H new ATOM 0 HB VAL A 49 3.979 -4.784 0.193 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.181 -5.891 0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.987 -6.986 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.218 -6.200 -1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.060 -3.442 0.023 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.097 -3.724 -1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.777 -2.773 -1.013 1.00 0.00 H new ATOM 811 N CYS A 50 1.803 -4.289 -0.807 1.00 0.00 N ATOM 812 CA CYS A 50 0.652 -3.413 -0.623 1.00 0.00 C ATOM 813 C CYS A 50 0.929 -2.479 0.548 1.00 0.00 C ATOM 814 O CYS A 50 1.045 -2.924 1.689 1.00 0.00 O ATOM 815 CB CYS A 50 -0.611 -4.228 -0.325 1.00 0.00 C ATOM 816 SG CYS A 50 -0.985 -5.315 -1.725 1.00 0.00 S ATOM 0 H CYS A 50 1.944 -4.965 -0.056 1.00 0.00 H new ATOM 0 HA CYS A 50 0.491 -2.845 -1.539 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.468 -4.820 0.579 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.451 -3.559 -0.138 1.00 0.00 H new ATOM 821 N ILE A 51 1.058 -1.186 0.260 1.00 0.00 N ATOM 822 CA ILE A 51 1.349 -0.228 1.325 1.00 0.00 C ATOM 823 C ILE A 51 0.083 0.153 2.071 1.00 0.00 C ATOM 824 O ILE A 51 -1.019 0.111 1.525 1.00 0.00 O ATOM 825 CB ILE A 51 2.006 1.041 0.781 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.164 0.670 -0.147 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.552 1.851 1.958 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.760 1.939 -0.755 1.00 0.00 C ATOM 0 H ILE A 51 0.969 -0.785 -0.674 1.00 0.00 H new ATOM 0 HA ILE A 51 2.044 -0.718 2.008 1.00 0.00 H new ATOM 0 HB ILE A 51 1.272 1.624 0.225 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.929 0.127 0.408 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.812 0.007 -0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.024 2.760 1.586 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.734 2.115 2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.287 1.256 2.499 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.585 1.673 -1.416 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.993 2.464 -1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.127 2.586 0.041 1.00 0.00 H new ATOM 840 N ASP A 52 0.256 0.512 3.339 1.00 0.00 N ATOM 841 CA ASP A 52 -0.874 0.887 4.175 1.00 0.00 C ATOM 842 C ASP A 52 -1.307 2.327 3.872 1.00 0.00 C ATOM 843 O ASP A 52 -0.461 3.199 3.668 1.00 0.00 O ATOM 844 CB ASP A 52 -0.494 0.776 5.659 1.00 0.00 C ATOM 845 CG ASP A 52 -1.641 0.142 6.440 1.00 0.00 C ATOM 846 OD1 ASP A 52 -1.868 -1.044 6.265 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.276 0.852 7.203 1.00 0.00 O ATOM 0 H ASP A 52 1.162 0.551 3.806 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.700 0.209 3.959 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.409 0.175 5.769 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.270 1.764 6.061 1.00 0.00 H new ATOM 852 N PRO A 53 -2.621 2.604 3.844 1.00 0.00 N ATOM 853 CA PRO A 53 -3.128 3.964 3.565 1.00 0.00 C ATOM 854 C PRO A 53 -3.006 4.904 4.767 1.00 0.00 C ATOM 855 O PRO A 53 -3.258 6.103 4.656 1.00 0.00 O ATOM 856 CB PRO A 53 -4.590 3.719 3.214 1.00 0.00 C ATOM 857 CG PRO A 53 -4.986 2.404 3.863 1.00 0.00 C ATOM 858 CD PRO A 53 -3.698 1.610 4.091 1.00 0.00 C ATOM 0 HA PRO A 53 -2.559 4.459 2.778 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.216 4.533 3.578 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.725 3.672 2.133 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.502 2.580 4.807 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.672 1.850 3.223 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.649 1.210 5.104 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.624 0.763 3.409 1.00 0.00 H new ATOM 866 N LYS A 54 -2.615 4.351 5.917 1.00 0.00 N ATOM 867 CA LYS A 54 -2.466 5.160 7.119 1.00 0.00 C ATOM 868 C LYS A 54 -0.990 5.376 7.463 1.00 0.00 C ATOM 869 O LYS A 54 -0.662 5.787 8.576 1.00 0.00 O ATOM 870 CB LYS A 54 -3.157 4.484 8.305 1.00 0.00 C ATOM 871 CG LYS A 54 -4.674 4.602 8.148 1.00 0.00 C ATOM 872 CD LYS A 54 -5.365 3.601 9.077 1.00 0.00 C ATOM 873 CE LYS A 54 -5.381 4.155 10.502 1.00 0.00 C ATOM 874 NZ LYS A 54 -6.464 3.489 11.280 1.00 0.00 N ATOM 0 H LYS A 54 -2.400 3.361 6.037 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.929 6.127 6.922 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.867 3.435 8.358 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.840 4.950 9.238 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.997 5.616 8.385 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.959 4.410 7.114 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.384 3.416 8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.842 2.645 9.053 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.417 3.985 10.981 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.542 5.233 10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.476 3.865 12.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.381 3.673 10.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.291 2.464 11.308 1.00 0.00 H new ATOM 888 N LEU A 55 -0.097 5.110 6.505 1.00 0.00 N ATOM 889 CA LEU A 55 1.331 5.299 6.751 1.00 0.00 C ATOM 890 C LEU A 55 1.622 6.777 6.974 1.00 0.00 C ATOM 891 O LEU A 55 0.807 7.641 6.651 1.00 0.00 O ATOM 892 CB LEU A 55 2.157 4.775 5.575 1.00 0.00 C ATOM 893 CG LEU A 55 2.686 3.375 5.904 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.386 2.783 4.678 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.675 3.458 7.071 1.00 0.00 C ATOM 0 H LEU A 55 -0.332 4.771 5.572 1.00 0.00 H new ATOM 0 HA LEU A 55 1.609 4.737 7.643 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.545 4.741 4.674 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.988 5.450 5.371 1.00 0.00 H new ATOM 0 HG LEU A 55 1.850 2.734 6.184 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.760 1.788 4.918 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.678 2.715 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.219 3.424 4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.049 2.461 7.302 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.509 4.104 6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.171 3.869 7.946 1.00 0.00 H new ATOM 907 N LYS A 56 2.783 7.057 7.554 1.00 0.00 N ATOM 908 CA LYS A 56 3.155 8.431 7.845 1.00 0.00 C ATOM 909 C LYS A 56 3.590 9.169 6.591 1.00 0.00 C ATOM 910 O LYS A 56 3.305 10.357 6.430 1.00 0.00 O ATOM 911 CB LYS A 56 4.286 8.477 8.874 1.00 0.00 C ATOM 912 CG LYS A 56 4.263 9.825 9.598 1.00 0.00 C ATOM 913 CD LYS A 56 5.644 10.107 10.196 1.00 0.00 C ATOM 914 CE LYS A 56 5.785 9.364 11.526 1.00 0.00 C ATOM 915 NZ LYS A 56 6.735 10.102 12.406 1.00 0.00 N ATOM 0 H LYS A 56 3.474 6.359 7.828 1.00 0.00 H new ATOM 0 HA LYS A 56 2.272 8.924 8.251 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.172 7.665 9.592 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.247 8.334 8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.987 10.618 8.903 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.509 9.814 10.385 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.424 9.788 9.504 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.774 11.178 10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.813 9.278 12.012 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.145 8.350 11.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.832 9.599 13.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.664 10.162 11.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.373 11.061 12.581 1.00 0.00 H new ATOM 929 N TRP A 57 4.286 8.474 5.703 1.00 0.00 N ATOM 930 CA TRP A 57 4.734 9.114 4.477 1.00 0.00 C ATOM 931 C TRP A 57 3.659 9.038 3.406 1.00 0.00 C ATOM 932 O TRP A 57 3.580 9.906 2.533 1.00 0.00 O ATOM 933 CB TRP A 57 6.046 8.509 3.966 1.00 0.00 C ATOM 934 CG TRP A 57 5.885 7.070 3.583 1.00 0.00 C ATOM 935 CD1 TRP A 57 5.949 6.013 4.430 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.658 6.515 2.257 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.807 4.848 3.695 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.619 5.108 2.355 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.491 7.096 0.992 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.427 4.304 1.235 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.287 6.290 -0.141 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.259 4.895 -0.018 1.00 0.00 C ATOM 0 H TRP A 57 4.547 7.493 5.804 1.00 0.00 H new ATOM 0 HA TRP A 57 4.923 10.162 4.708 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.396 9.077 3.104 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.811 8.596 4.738 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.088 6.070 5.500 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.838 3.911 4.097 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.519 8.171 0.888 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.408 3.229 1.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.151 6.748 -1.110 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.108 4.278 -0.891 1.00 0.00 H new ATOM 953 N ILE A 58 2.820 8.006 3.474 1.00 0.00 N ATOM 954 CA ILE A 58 1.762 7.875 2.494 1.00 0.00 C ATOM 955 C ILE A 58 0.582 8.779 2.854 1.00 0.00 C ATOM 956 O ILE A 58 -0.236 9.086 1.993 1.00 0.00 O ATOM 957 CB ILE A 58 1.322 6.406 2.326 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.479 5.663 1.598 1.00 0.00 C ATOM 959 CG2 ILE A 58 -0.004 6.316 1.526 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.969 4.544 0.674 1.00 0.00 C ATOM 0 H ILE A 58 2.855 7.270 4.180 1.00 0.00 H new ATOM 0 HA ILE A 58 2.153 8.200 1.530 1.00 0.00 H new ATOM 0 HB ILE A 58 1.129 5.945 3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.055 6.379 1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.157 5.238 2.338 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.295 5.271 1.420 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.787 6.858 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.136 6.755 0.538 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.816 4.057 0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.416 3.811 1.261 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.313 4.970 -0.085 1.00 0.00 H new ATOM 972 N GLN A 59 0.491 9.218 4.115 1.00 0.00 N ATOM 973 CA GLN A 59 -0.609 10.096 4.480 1.00 0.00 C ATOM 974 C GLN A 59 -0.426 11.450 3.796 1.00 0.00 C ATOM 975 O GLN A 59 -1.399 12.116 3.441 1.00 0.00 O ATOM 976 CB GLN A 59 -0.720 10.282 5.996 1.00 0.00 C ATOM 977 CG GLN A 59 0.620 10.736 6.572 1.00 0.00 C ATOM 978 CD GLN A 59 0.378 11.669 7.754 1.00 0.00 C ATOM 979 OE1 GLN A 59 0.909 11.451 8.843 1.00 0.00 O ATOM 980 NE2 GLN A 59 -0.401 12.704 7.603 1.00 0.00 N ATOM 0 H GLN A 59 1.140 8.988 4.867 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.536 9.631 4.144 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.490 11.019 6.224 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -1.026 9.346 6.463 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.202 9.871 6.891 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.203 11.247 5.805 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.841 12.884 6.700 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.571 13.333 8.388 1.00 0.00 H new ATOM 989 N GLU A 60 0.834 11.834 3.582 1.00 0.00 N ATOM 990 CA GLU A 60 1.124 13.093 2.905 1.00 0.00 C ATOM 991 C GLU A 60 0.968 12.904 1.399 1.00 0.00 C ATOM 992 O GLU A 60 0.519 13.801 0.684 1.00 0.00 O ATOM 993 CB GLU A 60 2.551 13.554 3.209 1.00 0.00 C ATOM 994 CG GLU A 60 2.555 14.395 4.487 1.00 0.00 C ATOM 995 CD GLU A 60 2.352 15.863 4.131 1.00 0.00 C ATOM 996 OE1 GLU A 60 1.585 16.131 3.221 1.00 0.00 O ATOM 997 OE2 GLU A 60 2.967 16.699 4.773 1.00 0.00 O ATOM 0 H GLU A 60 1.656 11.299 3.863 1.00 0.00 H new ATOM 0 HA GLU A 60 0.427 13.850 3.263 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.206 12.691 3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.941 14.138 2.375 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.764 14.060 5.158 1.00 0.00 H new ATOM 0 HG3 GLU A 60 3.499 14.266 5.017 1.00 0.00 H new ATOM 1004 N TYR A 61 1.336 11.711 0.934 1.00 0.00 N ATOM 1005 CA TYR A 61 1.230 11.378 -0.484 1.00 0.00 C ATOM 1006 C TYR A 61 -0.244 11.272 -0.879 1.00 0.00 C ATOM 1007 O TYR A 61 -0.690 11.888 -1.848 1.00 0.00 O ATOM 1008 CB TYR A 61 1.977 10.043 -0.752 1.00 0.00 C ATOM 1009 CG TYR A 61 1.487 9.350 -2.009 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.447 10.031 -3.231 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.062 8.022 -1.934 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.983 9.377 -4.379 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.597 7.367 -3.074 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.558 8.043 -4.300 1.00 0.00 C ATOM 1015 OH TYR A 61 0.098 7.397 -5.430 1.00 0.00 O ATOM 0 H TYR A 61 1.709 10.962 1.517 1.00 0.00 H new ATOM 0 HA TYR A 61 1.688 12.161 -1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.046 10.239 -0.841 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.845 9.378 0.101 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.773 11.059 -3.289 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.094 7.500 -0.989 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.953 9.899 -5.324 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.268 6.340 -3.012 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.156 6.478 -5.201 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.991 10.483 -0.116 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.410 10.296 -0.390 1.00 0.00 C ATOM 1027 C LEU A 62 -3.149 11.628 -0.287 1.00 0.00 C ATOM 1028 O LEU A 62 -4.162 11.847 -0.952 1.00 0.00 O ATOM 1029 CB LEU A 62 -3.012 9.305 0.609 1.00 0.00 C ATOM 1030 CG LEU A 62 -4.000 8.382 -0.108 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -3.970 6.997 0.543 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -5.412 8.964 0.003 1.00 0.00 C ATOM 0 H LEU A 62 -0.641 9.966 0.691 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.517 9.903 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.221 8.716 1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.519 9.844 1.409 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.721 8.297 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.674 6.340 0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.965 6.581 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.250 7.082 1.593 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -6.117 8.308 -0.507 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.689 9.048 1.054 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.436 9.951 -0.458 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.624 12.516 0.554 1.00 0.00 N ATOM 1045 CA GLU A 63 -3.236 13.828 0.738 1.00 0.00 C ATOM 1046 C GLU A 63 -3.024 14.690 -0.502 1.00 0.00 C ATOM 1047 O GLU A 63 -3.891 15.472 -0.890 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.629 14.537 1.950 1.00 0.00 C ATOM 1049 CG GLU A 63 -3.442 15.793 2.267 1.00 0.00 C ATOM 1050 CD GLU A 63 -3.302 16.130 3.748 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -2.178 16.200 4.216 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -4.322 16.312 4.394 1.00 0.00 O ATOM 0 H GLU A 63 -1.786 12.354 1.113 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.304 13.683 0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.623 13.868 2.811 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.592 14.804 1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.093 16.628 1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.491 15.633 2.017 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.856 14.536 -1.120 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.530 15.303 -2.319 1.00 0.00 C ATOM 1061 C LYS A 64 -2.083 14.611 -3.562 1.00 0.00 C ATOM 1062 O LYS A 64 -2.491 15.263 -4.523 1.00 0.00 O ATOM 1063 CB LYS A 64 -0.013 15.450 -2.464 1.00 0.00 C ATOM 1064 CG LYS A 64 0.305 16.423 -3.604 1.00 0.00 C ATOM 1065 CD LYS A 64 0.619 15.635 -4.879 1.00 0.00 C ATOM 1066 CE LYS A 64 2.102 15.261 -4.898 1.00 0.00 C ATOM 1067 NZ LYS A 64 2.470 14.757 -6.250 1.00 0.00 N ATOM 0 H LYS A 64 -1.125 13.893 -0.814 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.983 16.290 -2.221 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.418 15.814 -1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.439 14.479 -2.665 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.541 17.088 -3.775 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.154 17.051 -3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.006 14.735 -4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.373 16.231 -5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.710 16.129 -4.644 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.305 14.498 -4.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.478 14.503 -6.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 1.898 13.918 -6.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.291 15.498 -6.957 1.00 0.00 H new ATOM 1081 N ALA A 65 -2.091 13.281 -3.531 1.00 0.00 N ATOM 1082 CA ALA A 65 -2.594 12.505 -4.662 1.00 0.00 C ATOM 1083 C ALA A 65 -4.069 12.808 -4.904 1.00 0.00 C ATOM 1084 O ALA A 65 -4.543 12.793 -6.040 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.430 11.007 -4.399 1.00 0.00 C ATOM 0 H ALA A 65 -1.759 12.723 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.017 12.784 -5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.810 10.444 -5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.375 10.777 -4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.988 10.731 -3.504 1.00 0.00 H new