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 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 34 CYS SG : rot 180:sc= 0 USER MOD Set 2.1: A 31 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 37 GLN : amide:sc= -4.74 K(o=-4.7,f=-9.8!) USER MOD Single : A 16 SER OG : rot 52:sc= 0.255 USER MOD Single : A 17 HIS : no HD1:sc= -5.74! C(o=-5.7!,f=-4.2!) USER MOD Single : A 22 ASN : amide:sc= -3.77! C(o=-3.8!,f=-18!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.493 X(o=-0.49,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -166:sc= -2.81 (180deg=-4.01!) USER MOD Single : A 30 ASN : amide:sc= -1.05 K(o=-1.1,f=-5.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 45 ASN : amide:sc= -0.942 K(o=-0.94,f=-0.014) USER MOD Single : A 46 ASN : amide:sc= -4.91 K(o=-4.9,f=-5.7!) 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= -0.0279 K(o=-0.028,f=-0.66) 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 -6.778 -8.028 -4.580 1.00 0.00 N ATOM 152 CA PRO A 10 -5.351 -8.355 -4.789 1.00 0.00 C ATOM 153 C PRO A 10 -4.517 -8.116 -3.534 1.00 0.00 C ATOM 154 O PRO A 10 -3.556 -8.837 -3.263 1.00 0.00 O ATOM 155 CB PRO A 10 -4.943 -7.424 -5.921 1.00 0.00 C ATOM 156 CG PRO A 10 -5.920 -6.262 -5.910 1.00 0.00 C ATOM 157 CD PRO A 10 -7.196 -6.758 -5.227 1.00 0.00 C ATOM 0 HA PRO A 10 -5.191 -9.408 -5.023 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.921 -7.071 -5.781 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.972 -7.944 -6.878 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.501 -5.411 -5.373 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.131 -5.926 -6.925 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.564 -6.038 -4.496 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.998 -6.920 -5.947 1.00 0.00 H new ATOM 165 N CYS A 11 -4.911 -7.113 -2.757 1.00 0.00 N ATOM 166 CA CYS A 11 -4.207 -6.811 -1.515 1.00 0.00 C ATOM 167 C CYS A 11 -4.842 -7.597 -0.375 1.00 0.00 C ATOM 168 O CYS A 11 -6.041 -7.877 -0.385 1.00 0.00 O ATOM 169 CB CYS A 11 -4.275 -5.318 -1.184 1.00 0.00 C ATOM 170 SG CYS A 11 -2.911 -4.441 -1.996 1.00 0.00 S ATOM 0 H CYS A 11 -5.703 -6.503 -2.960 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.161 -7.091 -1.641 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.230 -4.907 -1.513 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.220 -5.173 -0.105 1.00 0.00 H new ATOM 175 N ARG A 12 -4.026 -7.950 0.605 1.00 0.00 N ATOM 176 CA ARG A 12 -4.511 -8.707 1.754 1.00 0.00 C ATOM 177 C ARG A 12 -3.630 -8.431 2.961 1.00 0.00 C ATOM 178 O ARG A 12 -4.112 -8.111 4.047 1.00 0.00 O ATOM 179 CB ARG A 12 -4.496 -10.209 1.458 1.00 0.00 C ATOM 180 CG ARG A 12 -5.688 -10.570 0.565 1.00 0.00 C ATOM 181 CD ARG A 12 -6.237 -11.943 0.966 1.00 0.00 C ATOM 182 NE ARG A 12 -6.653 -12.696 -0.214 1.00 0.00 N ATOM 183 CZ ARG A 12 -6.437 -14.005 -0.302 1.00 0.00 C ATOM 184 NH1 ARG A 12 -7.261 -14.841 0.267 1.00 0.00 N ATOM 185 NH2 ARG A 12 -5.400 -14.452 -0.956 1.00 0.00 N ATOM 0 H ARG A 12 -3.031 -7.728 0.631 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.535 -8.395 1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.563 -10.483 0.965 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.542 -10.774 2.389 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.468 -9.814 0.660 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.381 -10.582 -0.481 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.474 -12.501 1.510 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.083 -11.819 1.642 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.116 -12.211 -0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.070 -14.490 0.779 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.096 -15.845 0.200 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.756 -13.797 -1.399 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.234 -15.456 -1.024 1.00 0.00 H new ATOM 199 N PHE A 13 -2.327 -8.543 2.746 1.00 0.00 N ATOM 200 CA PHE A 13 -1.363 -8.289 3.811 1.00 0.00 C ATOM 201 C PHE A 13 -0.625 -6.992 3.520 1.00 0.00 C ATOM 202 O PHE A 13 -0.043 -6.819 2.451 1.00 0.00 O ATOM 203 CB PHE A 13 -0.341 -9.423 3.926 1.00 0.00 C ATOM 204 CG PHE A 13 -1.045 -10.760 3.909 1.00 0.00 C ATOM 205 CD1 PHE A 13 -1.616 -11.266 5.084 1.00 0.00 C ATOM 206 CD2 PHE A 13 -1.127 -11.494 2.720 1.00 0.00 C ATOM 207 CE1 PHE A 13 -2.269 -12.504 5.068 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.779 -12.733 2.703 1.00 0.00 C ATOM 209 CZ PHE A 13 -2.350 -13.238 3.878 1.00 0.00 C ATOM 0 H PHE A 13 -1.914 -8.806 1.851 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.910 -8.220 4.751 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.370 -9.367 3.102 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.231 -9.316 4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.552 -10.701 6.002 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.687 -11.104 1.814 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.710 -12.893 5.974 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.842 -13.299 1.785 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.853 -14.194 3.866 1.00 0.00 H new ATOM 219 N PHE A 14 -0.661 -6.082 4.479 1.00 0.00 N ATOM 220 CA PHE A 14 0.002 -4.796 4.310 1.00 0.00 C ATOM 221 C PHE A 14 1.266 -4.730 5.148 1.00 0.00 C ATOM 222 O PHE A 14 1.280 -5.128 6.312 1.00 0.00 O ATOM 223 CB PHE A 14 -0.917 -3.651 4.731 1.00 0.00 C ATOM 224 CG PHE A 14 -1.915 -3.380 3.637 1.00 0.00 C ATOM 225 CD1 PHE A 14 -2.782 -4.390 3.206 1.00 0.00 C ATOM 226 CD2 PHE A 14 -1.969 -2.114 3.052 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.704 -4.129 2.187 1.00 0.00 C ATOM 228 CE2 PHE A 14 -2.889 -1.851 2.035 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.758 -2.859 1.600 1.00 0.00 C ATOM 0 H PHE A 14 -1.136 -6.205 5.373 1.00 0.00 H new ATOM 0 HA PHE A 14 0.253 -4.696 3.254 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.435 -3.907 5.655 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.330 -2.755 4.933 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.739 -5.369 3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.298 -1.336 3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.374 -4.907 1.853 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.930 -0.870 1.584 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.469 -2.657 0.813 1.00 0.00 H new ATOM 239 N GLU A 15 2.323 -4.202 4.548 1.00 0.00 N ATOM 240 CA GLU A 15 3.591 -4.068 5.275 1.00 0.00 C ATOM 241 C GLU A 15 3.664 -2.688 5.930 1.00 0.00 C ATOM 242 O GLU A 15 4.466 -1.839 5.541 1.00 0.00 O ATOM 243 CB GLU A 15 4.845 -4.286 4.383 1.00 0.00 C ATOM 244 CG GLU A 15 4.532 -4.135 2.886 1.00 0.00 C ATOM 245 CD GLU A 15 4.157 -2.691 2.579 1.00 0.00 C ATOM 246 OE1 GLU A 15 3.318 -2.157 3.282 1.00 0.00 O ATOM 247 OE2 GLU A 15 4.711 -2.141 1.643 1.00 0.00 O ATOM 0 H GLU A 15 2.337 -3.865 3.585 1.00 0.00 H new ATOM 0 HA GLU A 15 3.602 -4.856 6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.617 -3.569 4.664 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.251 -5.281 4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.398 -4.429 2.293 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.714 -4.800 2.608 1.00 0.00 H new ATOM 254 N SER A 16 2.803 -2.476 6.928 1.00 0.00 N ATOM 255 CA SER A 16 2.762 -1.196 7.634 1.00 0.00 C ATOM 256 C SER A 16 4.083 -0.939 8.353 1.00 0.00 C ATOM 257 O SER A 16 4.234 -1.223 9.541 1.00 0.00 O ATOM 258 CB SER A 16 1.623 -1.175 8.654 1.00 0.00 C ATOM 259 OG SER A 16 1.652 -2.374 9.416 1.00 0.00 O ATOM 0 H SER A 16 2.132 -3.167 7.262 1.00 0.00 H new ATOM 0 HA SER A 16 2.594 -0.414 6.894 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.724 -0.311 9.311 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.665 -1.078 8.144 1.00 0.00 H new ATOM 0 HG SER A 16 2.553 -2.511 9.776 1.00 0.00 H new ATOM 265 N HIS A 17 5.030 -0.390 7.606 1.00 0.00 N ATOM 266 CA HIS A 17 6.352 -0.072 8.145 1.00 0.00 C ATOM 267 C HIS A 17 7.231 0.519 7.047 1.00 0.00 C ATOM 268 O HIS A 17 8.059 1.395 7.297 1.00 0.00 O ATOM 269 CB HIS A 17 7.029 -1.312 8.737 1.00 0.00 C ATOM 270 CG HIS A 17 7.078 -2.421 7.722 1.00 0.00 C ATOM 271 ND1 HIS A 17 6.306 -3.566 7.844 1.00 0.00 N ATOM 272 CD2 HIS A 17 7.816 -2.588 6.576 1.00 0.00 C ATOM 273 CE1 HIS A 17 6.596 -4.364 6.801 1.00 0.00 C ATOM 274 NE2 HIS A 17 7.511 -3.817 5.997 1.00 0.00 N ATOM 0 H HIS A 17 4.910 -0.153 6.621 1.00 0.00 H new ATOM 0 HA HIS A 17 6.222 0.657 8.945 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.040 -1.062 9.060 1.00 0.00 H new ATOM 0 HB3 HIS A 17 6.484 -1.644 9.621 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.525 -1.874 6.183 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.144 -5.330 6.634 1.00 0.00 H new ATOM 0 HE2 HIS A 17 7.902 -4.214 5.143 1.00 0.00 H new ATOM 282 N VAL A 18 7.029 0.026 5.817 1.00 0.00 N ATOM 283 CA VAL A 18 7.776 0.488 4.645 1.00 0.00 C ATOM 284 C VAL A 18 7.925 2.010 4.644 1.00 0.00 C ATOM 285 O VAL A 18 7.102 2.735 5.202 1.00 0.00 O ATOM 286 CB VAL A 18 7.036 0.051 3.371 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.799 0.491 2.116 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.904 -1.472 3.369 1.00 0.00 C ATOM 0 H VAL A 18 6.345 -0.702 5.610 1.00 0.00 H new ATOM 0 HA VAL A 18 8.772 0.047 4.678 1.00 0.00 H new ATOM 0 HB VAL A 18 6.052 0.519 3.361 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.255 0.170 1.228 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.894 1.577 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.791 0.040 2.116 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.380 -1.791 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.896 -1.923 3.390 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.342 -1.790 4.247 1.00 0.00 H new ATOM 298 N ALA A 19 8.987 2.469 4.008 1.00 0.00 N ATOM 299 CA ALA A 19 9.256 3.890 3.924 1.00 0.00 C ATOM 300 C ALA A 19 9.535 4.280 2.482 1.00 0.00 C ATOM 301 O ALA A 19 10.153 3.537 1.728 1.00 0.00 O ATOM 302 CB ALA A 19 10.461 4.250 4.787 1.00 0.00 C ATOM 0 H ALA A 19 9.676 1.878 3.543 1.00 0.00 H new ATOM 0 HA ALA A 19 8.382 4.432 4.285 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.653 5.321 4.715 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.257 3.987 5.825 1.00 0.00 H new ATOM 0 HB3 ALA A 19 11.335 3.700 4.438 1.00 0.00 H new ATOM 308 N ARG A 20 9.071 5.463 2.110 1.00 0.00 N ATOM 309 CA ARG A 20 9.260 5.980 0.747 1.00 0.00 C ATOM 310 C ARG A 20 10.696 5.773 0.250 1.00 0.00 C ATOM 311 O ARG A 20 10.939 5.651 -0.950 1.00 0.00 O ATOM 312 CB ARG A 20 8.926 7.465 0.703 1.00 0.00 C ATOM 313 CG ARG A 20 8.609 7.878 -0.737 1.00 0.00 C ATOM 314 CD ARG A 20 8.568 9.404 -0.833 1.00 0.00 C ATOM 315 NE ARG A 20 9.914 9.947 -0.998 1.00 0.00 N ATOM 316 CZ ARG A 20 10.267 11.093 -0.422 1.00 0.00 C ATOM 317 NH1 ARG A 20 10.148 11.236 0.870 1.00 0.00 N ATOM 318 NH2 ARG A 20 10.730 12.072 -1.148 1.00 0.00 N ATOM 0 H ARG A 20 8.558 6.091 2.729 1.00 0.00 H new ATOM 0 HA ARG A 20 8.589 5.423 0.093 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.073 7.675 1.348 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.765 8.048 1.083 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.364 7.481 -1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.651 7.458 -1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.944 9.704 -1.675 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.111 9.818 0.066 1.00 0.00 H new ATOM 0 HE ARG A 20 10.594 9.439 -1.564 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.785 10.470 1.437 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.418 12.114 1.313 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.822 11.959 -2.158 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.001 12.951 -0.706 1.00 0.00 H new ATOM 332 N ALA A 21 11.642 5.732 1.188 1.00 0.00 N ATOM 333 CA ALA A 21 13.043 5.536 0.833 1.00 0.00 C ATOM 334 C ALA A 21 13.244 4.187 0.150 1.00 0.00 C ATOM 335 O ALA A 21 13.609 4.119 -1.024 1.00 0.00 O ATOM 336 CB ALA A 21 13.926 5.600 2.080 1.00 0.00 C ATOM 0 H ALA A 21 11.465 5.831 2.188 1.00 0.00 H new ATOM 0 HA ALA A 21 13.326 6.333 0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.968 5.452 1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.815 6.575 2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.626 4.819 2.779 1.00 0.00 H new ATOM 342 N ASN A 22 13.007 3.115 0.896 1.00 0.00 N ATOM 343 CA ASN A 22 13.172 1.773 0.347 1.00 0.00 C ATOM 344 C ASN A 22 12.131 1.489 -0.742 1.00 0.00 C ATOM 345 O ASN A 22 12.290 0.566 -1.535 1.00 0.00 O ATOM 346 CB ASN A 22 13.100 0.713 1.466 1.00 0.00 C ATOM 347 CG ASN A 22 11.674 0.541 1.998 1.00 0.00 C ATOM 348 OD1 ASN A 22 10.742 1.188 1.539 1.00 0.00 O ATOM 349 ND2 ASN A 22 11.451 -0.316 2.954 1.00 0.00 N ATOM 0 H ASN A 22 12.704 3.146 1.869 1.00 0.00 H new ATOM 0 HA ASN A 22 14.159 1.717 -0.113 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.463 -0.242 1.086 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.760 1.003 2.284 1.00 0.00 H new ATOM 0 HD21 ASN A 22 10.505 -0.444 3.314 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.222 -0.859 3.342 1.00 0.00 H new ATOM 356 N VAL A 23 11.069 2.297 -0.788 1.00 0.00 N ATOM 357 CA VAL A 23 10.042 2.105 -1.806 1.00 0.00 C ATOM 358 C VAL A 23 10.616 2.488 -3.165 1.00 0.00 C ATOM 359 O VAL A 23 11.280 3.515 -3.307 1.00 0.00 O ATOM 360 CB VAL A 23 8.806 2.962 -1.504 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.699 2.651 -2.514 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.297 2.655 -0.086 1.00 0.00 C ATOM 0 H VAL A 23 10.902 3.072 -0.147 1.00 0.00 H new ATOM 0 HA VAL A 23 9.736 1.059 -1.809 1.00 0.00 H new ATOM 0 HB VAL A 23 9.078 4.015 -1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.824 3.263 -2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.053 2.872 -3.521 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.431 1.597 -2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.419 3.265 0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.031 1.600 -0.015 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.079 2.881 0.638 1.00 0.00 H new ATOM 372 N LYS A 24 10.374 1.641 -4.157 1.00 0.00 N ATOM 373 CA LYS A 24 10.894 1.890 -5.499 1.00 0.00 C ATOM 374 C LYS A 24 9.910 2.722 -6.312 1.00 0.00 C ATOM 375 O LYS A 24 10.269 3.756 -6.874 1.00 0.00 O ATOM 376 CB LYS A 24 11.152 0.568 -6.227 1.00 0.00 C ATOM 377 CG LYS A 24 11.864 0.840 -7.556 1.00 0.00 C ATOM 378 CD LYS A 24 13.338 1.155 -7.294 1.00 0.00 C ATOM 379 CE LYS A 24 13.889 2.008 -8.439 1.00 0.00 C ATOM 380 NZ LYS A 24 15.329 1.686 -8.648 1.00 0.00 N ATOM 0 H LYS A 24 9.828 0.785 -4.062 1.00 0.00 H new ATOM 0 HA LYS A 24 11.831 2.438 -5.398 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.761 -0.088 -5.605 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.209 0.051 -6.408 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.778 -0.027 -8.210 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.389 1.676 -8.070 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.445 1.685 -6.348 1.00 0.00 H new ATOM 0 HD3 LYS A 24 13.909 0.230 -7.208 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.326 1.817 -9.353 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.772 3.067 -8.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.705 2.265 -9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.860 1.889 -7.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.428 0.679 -8.887 1.00 0.00 H new ATOM 394 N HIS A 25 8.669 2.260 -6.372 1.00 0.00 N ATOM 395 CA HIS A 25 7.649 2.979 -7.130 1.00 0.00 C ATOM 396 C HIS A 25 6.262 2.701 -6.567 1.00 0.00 C ATOM 397 O HIS A 25 5.986 1.612 -6.061 1.00 0.00 O ATOM 398 CB HIS A 25 7.684 2.560 -8.603 1.00 0.00 C ATOM 399 CG HIS A 25 7.346 3.740 -9.475 1.00 0.00 C ATOM 400 ND1 HIS A 25 8.254 4.278 -10.372 1.00 0.00 N ATOM 401 CD2 HIS A 25 6.206 4.495 -9.596 1.00 0.00 C ATOM 402 CE1 HIS A 25 7.651 5.311 -10.989 1.00 0.00 C ATOM 403 NE2 HIS A 25 6.401 5.487 -10.552 1.00 0.00 N ATOM 0 H HIS A 25 8.346 1.407 -5.915 1.00 0.00 H new ATOM 0 HA HIS A 25 7.862 4.045 -7.048 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.672 2.178 -8.859 1.00 0.00 H new ATOM 0 HB3 HIS A 25 6.974 1.751 -8.778 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.296 4.342 -9.035 1.00 0.00 H new ATOM 0 HE1 HIS A 25 8.120 5.923 -11.745 1.00 0.00 H new ATOM 0 HE2 HIS A 25 5.733 6.196 -10.854 1.00 0.00 H new ATOM 411 N LEU A 26 5.390 3.700 -6.664 1.00 0.00 N ATOM 412 CA LEU A 26 4.030 3.552 -6.166 1.00 0.00 C ATOM 413 C LEU A 26 3.055 3.342 -7.313 1.00 0.00 C ATOM 414 O LEU A 26 3.190 3.924 -8.389 1.00 0.00 O ATOM 415 CB LEU A 26 3.583 4.791 -5.385 1.00 0.00 C ATOM 416 CG LEU A 26 3.913 4.640 -3.895 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.475 5.907 -3.153 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.163 3.435 -3.315 1.00 0.00 C ATOM 0 H LEU A 26 5.598 4.609 -7.078 1.00 0.00 H new ATOM 0 HA LEU A 26 4.029 2.684 -5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.077 5.677 -5.784 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.511 4.940 -5.512 1.00 0.00 H new ATOM 0 HG LEU A 26 4.986 4.489 -3.777 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.707 5.806 -2.093 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.005 6.768 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.402 6.049 -3.278 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.402 3.333 -2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.090 3.584 -3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.464 2.530 -3.843 1.00 0.00 H new ATOM 430 N LYS A 27 2.060 2.515 -7.048 1.00 0.00 N ATOM 431 CA LYS A 27 1.026 2.227 -8.039 1.00 0.00 C ATOM 432 C LYS A 27 -0.236 1.732 -7.344 1.00 0.00 C ATOM 433 O LYS A 27 -0.183 1.215 -6.228 1.00 0.00 O ATOM 434 CB LYS A 27 1.498 1.177 -9.057 1.00 0.00 C ATOM 435 CG LYS A 27 2.185 0.002 -8.343 1.00 0.00 C ATOM 436 CD LYS A 27 3.595 -0.196 -8.909 1.00 0.00 C ATOM 437 CE LYS A 27 3.939 -1.686 -8.914 1.00 0.00 C ATOM 438 NZ LYS A 27 4.364 -2.098 -7.548 1.00 0.00 N ATOM 0 H LYS A 27 1.942 2.030 -6.159 1.00 0.00 H new ATOM 0 HA LYS A 27 0.814 3.151 -8.577 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.647 0.813 -9.633 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.190 1.634 -9.765 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.237 0.196 -7.272 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.599 -0.908 -8.474 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.651 0.204 -9.921 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.320 0.353 -8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.074 -2.269 -9.230 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.736 -1.884 -9.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 4.820 -3.032 -7.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 5.038 -1.402 -7.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.532 -2.148 -6.926 1.00 0.00 H new ATOM 452 N ILE A 28 -1.375 1.913 -8.004 1.00 0.00 N ATOM 453 CA ILE A 28 -2.647 1.494 -7.432 1.00 0.00 C ATOM 454 C ILE A 28 -3.438 0.666 -8.442 1.00 0.00 C ATOM 455 O ILE A 28 -3.306 0.843 -9.652 1.00 0.00 O ATOM 456 CB ILE A 28 -3.472 2.717 -7.028 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.634 3.623 -6.120 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.722 2.265 -6.276 1.00 0.00 C ATOM 459 CD1 ILE A 28 -3.372 4.945 -5.897 1.00 0.00 C ATOM 0 H ILE A 28 -1.443 2.343 -8.927 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.442 0.886 -6.551 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.764 3.267 -7.923 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.452 3.130 -5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.660 3.810 -6.573 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.309 3.137 -5.989 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.321 1.621 -6.920 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.430 1.714 -5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.776 5.590 -5.251 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.531 5.439 -6.856 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.335 4.749 -5.425 1.00 0.00 H new ATOM 471 N LEU A 29 -4.267 -0.235 -7.924 1.00 0.00 N ATOM 472 CA LEU A 29 -5.086 -1.085 -8.783 1.00 0.00 C ATOM 473 C LEU A 29 -6.551 -0.681 -8.681 1.00 0.00 C ATOM 474 O LEU A 29 -7.144 -0.710 -7.602 1.00 0.00 O ATOM 475 CB LEU A 29 -4.944 -2.554 -8.381 1.00 0.00 C ATOM 476 CG LEU A 29 -3.767 -3.177 -9.131 1.00 0.00 C ATOM 477 CD1 LEU A 29 -3.293 -4.428 -8.390 1.00 0.00 C ATOM 478 CD2 LEU A 29 -4.211 -3.561 -10.544 1.00 0.00 C ATOM 0 H LEU A 29 -4.389 -0.395 -6.924 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.742 -0.959 -9.809 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -4.787 -2.634 -7.305 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.862 -3.095 -8.610 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.950 -2.457 -9.187 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.454 -4.872 -8.925 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.978 -4.157 -7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.109 -5.148 -8.333 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.373 -4.006 -11.081 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.027 -4.281 -10.486 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.550 -2.670 -11.074 1.00 0.00 H new ATOM 490 N ASN A 30 -7.128 -0.298 -9.815 1.00 0.00 N ATOM 491 CA ASN A 30 -8.528 0.115 -9.843 1.00 0.00 C ATOM 492 C ASN A 30 -9.431 -1.079 -10.136 1.00 0.00 C ATOM 493 O ASN A 30 -9.886 -1.275 -11.263 1.00 0.00 O ATOM 494 CB ASN A 30 -8.748 1.188 -10.913 1.00 0.00 C ATOM 495 CG ASN A 30 -10.156 1.758 -10.780 1.00 0.00 C ATOM 496 OD1 ASN A 30 -10.459 2.463 -9.817 1.00 0.00 O ATOM 497 ND2 ASN A 30 -11.044 1.493 -11.699 1.00 0.00 N ATOM 0 H ASN A 30 -6.655 -0.265 -10.718 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.779 0.525 -8.864 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.011 1.983 -10.803 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -8.610 0.760 -11.906 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.988 1.870 -11.619 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.794 0.909 -12.497 1.00 0.00 H new ATOM 504 N THR A 31 -9.689 -1.874 -9.102 1.00 0.00 N ATOM 505 CA THR A 31 -10.543 -3.050 -9.249 1.00 0.00 C ATOM 506 C THR A 31 -12.005 -2.671 -8.988 1.00 0.00 C ATOM 507 O THR A 31 -12.283 -1.814 -8.148 1.00 0.00 O ATOM 508 CB THR A 31 -10.123 -4.140 -8.255 1.00 0.00 C ATOM 509 OG1 THR A 31 -8.750 -3.974 -7.922 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.330 -5.518 -8.882 1.00 0.00 C ATOM 0 H THR A 31 -9.323 -1.728 -8.161 1.00 0.00 H new ATOM 0 HA THR A 31 -10.437 -3.428 -10.266 1.00 0.00 H new ATOM 0 HB THR A 31 -10.731 -4.059 -7.354 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.481 -4.669 -7.286 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.030 -6.289 -8.172 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.382 -5.648 -9.136 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.726 -5.601 -9.785 1.00 0.00 H new ATOM 518 N PRO A 32 -12.962 -3.293 -9.698 1.00 0.00 N ATOM 519 CA PRO A 32 -14.395 -2.991 -9.515 1.00 0.00 C ATOM 520 C PRO A 32 -14.994 -3.727 -8.323 1.00 0.00 C ATOM 521 O PRO A 32 -15.644 -3.130 -7.465 1.00 0.00 O ATOM 522 CB PRO A 32 -15.012 -3.475 -10.821 1.00 0.00 C ATOM 523 CG PRO A 32 -14.070 -4.523 -11.397 1.00 0.00 C ATOM 524 CD PRO A 32 -12.707 -4.335 -10.725 1.00 0.00 C ATOM 0 HA PRO A 32 -14.576 -1.937 -9.306 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.001 -3.900 -10.646 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.139 -2.646 -11.518 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.454 -5.526 -11.212 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -13.984 -4.409 -12.478 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.351 -5.262 -10.275 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -11.949 -4.016 -11.440 1.00 0.00 H new ATOM 532 N ASN A 33 -14.760 -5.032 -8.278 1.00 0.00 N ATOM 533 CA ASN A 33 -15.268 -5.851 -7.187 1.00 0.00 C ATOM 534 C ASN A 33 -14.696 -5.384 -5.847 1.00 0.00 C ATOM 535 O ASN A 33 -15.293 -5.604 -4.793 1.00 0.00 O ATOM 536 CB ASN A 33 -14.895 -7.320 -7.400 1.00 0.00 C ATOM 537 CG ASN A 33 -15.723 -8.197 -6.467 1.00 0.00 C ATOM 538 OD1 ASN A 33 -16.876 -8.511 -6.760 1.00 0.00 O ATOM 539 ND2 ASN A 33 -15.198 -8.614 -5.347 1.00 0.00 N ATOM 0 H ASN A 33 -14.225 -5.543 -8.980 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.353 -5.748 -7.173 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.073 -7.605 -8.437 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -13.832 -7.468 -7.207 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -15.744 -9.200 -4.715 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -14.242 -8.354 -5.104 1.00 0.00 H new ATOM 546 N CYS A 34 -13.529 -4.740 -5.899 1.00 0.00 N ATOM 547 CA CYS A 34 -12.884 -4.251 -4.683 1.00 0.00 C ATOM 548 C CYS A 34 -12.732 -2.735 -4.732 1.00 0.00 C ATOM 549 O CYS A 34 -13.129 -2.086 -5.701 1.00 0.00 O ATOM 550 CB CYS A 34 -11.498 -4.879 -4.528 1.00 0.00 C ATOM 551 SG CYS A 34 -11.670 -6.645 -4.175 1.00 0.00 S ATOM 0 H CYS A 34 -13.017 -4.547 -6.760 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.511 -4.528 -3.835 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.918 -4.735 -5.439 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.953 -4.388 -3.722 1.00 0.00 H new ATOM 0 HG CYS A 34 -10.492 -7.178 -4.046 1.00 0.00 H new ATOM 556 N ALA A 35 -12.147 -2.178 -3.675 1.00 0.00 N ATOM 557 CA ALA A 35 -11.937 -0.737 -3.604 1.00 0.00 C ATOM 558 C ALA A 35 -10.554 -0.382 -4.142 1.00 0.00 C ATOM 559 O ALA A 35 -9.864 -1.224 -4.717 1.00 0.00 O ATOM 560 CB ALA A 35 -12.055 -0.248 -2.158 1.00 0.00 C ATOM 0 H ALA A 35 -11.813 -2.698 -2.863 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.701 -0.250 -4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.895 0.830 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.049 -0.480 -1.776 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.305 -0.745 -1.543 1.00 0.00 H new ATOM 566 N LEU A 36 -10.155 0.872 -3.950 1.00 0.00 N ATOM 567 CA LEU A 36 -8.848 1.322 -4.422 1.00 0.00 C ATOM 568 C LEU A 36 -7.758 0.916 -3.434 1.00 0.00 C ATOM 569 O LEU A 36 -7.550 1.570 -2.414 1.00 0.00 O ATOM 570 CB LEU A 36 -8.830 2.849 -4.585 1.00 0.00 C ATOM 571 CG LEU A 36 -9.513 3.260 -5.899 1.00 0.00 C ATOM 572 CD1 LEU A 36 -8.765 2.656 -7.090 1.00 0.00 C ATOM 573 CD2 LEU A 36 -10.967 2.773 -5.908 1.00 0.00 C ATOM 0 H LEU A 36 -10.709 1.587 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.659 0.853 -5.388 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -9.339 3.316 -3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.801 3.209 -4.575 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.496 4.347 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.256 2.953 -8.017 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.736 3.015 -7.094 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.769 1.569 -7.009 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.444 3.068 -6.843 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.988 1.687 -5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.505 3.217 -5.070 1.00 0.00 H new ATOM 585 N GLN A 37 -7.060 -0.171 -3.755 1.00 0.00 N ATOM 586 CA GLN A 37 -5.984 -0.659 -2.891 1.00 0.00 C ATOM 587 C GLN A 37 -4.643 -0.135 -3.393 1.00 0.00 C ATOM 588 O GLN A 37 -4.271 -0.360 -4.545 1.00 0.00 O ATOM 589 CB GLN A 37 -5.929 -2.195 -2.876 1.00 0.00 C ATOM 590 CG GLN A 37 -7.341 -2.785 -2.785 1.00 0.00 C ATOM 591 CD GLN A 37 -7.873 -3.036 -4.192 1.00 0.00 C ATOM 592 OE1 GLN A 37 -7.525 -2.322 -5.131 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.704 -4.019 -4.395 1.00 0.00 N ATOM 0 H GLN A 37 -7.216 -0.726 -4.596 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.184 -0.301 -1.881 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.436 -2.555 -3.779 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.332 -2.535 -2.030 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.323 -3.716 -2.219 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.000 -2.100 -2.251 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.993 -4.612 -3.617 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.065 -4.196 -5.332 1.00 0.00 H new ATOM 602 N ILE A 38 -3.918 0.568 -2.525 1.00 0.00 N ATOM 603 CA ILE A 38 -2.620 1.109 -2.920 1.00 0.00 C ATOM 604 C ILE A 38 -1.540 0.039 -2.819 1.00 0.00 C ATOM 605 O ILE A 38 -1.237 -0.477 -1.739 1.00 0.00 O ATOM 606 CB ILE A 38 -2.213 2.300 -2.054 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.356 3.318 -2.008 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.969 2.957 -2.664 1.00 0.00 C ATOM 609 CD1 ILE A 38 -3.177 4.229 -0.792 1.00 0.00 C ATOM 0 H ILE A 38 -4.198 0.773 -1.566 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.719 1.444 -3.953 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.995 1.960 -1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.366 3.911 -2.922 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.315 2.802 -1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.671 3.809 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.155 2.233 -2.699 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.196 3.297 -3.674 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.990 4.954 -0.758 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.188 3.628 0.117 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.225 4.754 -0.868 1.00 0.00 H new ATOM 621 N VAL A 39 -0.947 -0.262 -3.962 1.00 0.00 N ATOM 622 CA VAL A 39 0.120 -1.250 -4.014 1.00 0.00 C ATOM 623 C VAL A 39 1.449 -0.537 -4.202 1.00 0.00 C ATOM 624 O VAL A 39 1.488 0.675 -4.416 1.00 0.00 O ATOM 625 CB VAL A 39 -0.102 -2.250 -5.155 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.398 -3.022 -4.910 1.00 0.00 C ATOM 627 CG2 VAL A 39 -0.201 -1.506 -6.486 1.00 0.00 C ATOM 0 H VAL A 39 -1.183 0.159 -4.861 1.00 0.00 H new ATOM 0 HA VAL A 39 0.124 -1.808 -3.078 1.00 0.00 H new ATOM 0 HB VAL A 39 0.738 -2.943 -5.192 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.557 -3.733 -5.721 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.328 -3.559 -3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.235 -2.325 -4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.359 -2.222 -7.292 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.038 -0.808 -6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.723 -0.956 -6.665 1.00 0.00 H new ATOM 637 N ALA A 40 2.533 -1.287 -4.101 1.00 0.00 N ATOM 638 CA ALA A 40 3.852 -0.688 -4.240 1.00 0.00 C ATOM 639 C ALA A 40 4.904 -1.730 -4.559 1.00 0.00 C ATOM 640 O ALA A 40 4.617 -2.919 -4.657 1.00 0.00 O ATOM 641 CB ALA A 40 4.246 -0.008 -2.937 1.00 0.00 C ATOM 0 H ALA A 40 2.530 -2.292 -3.927 1.00 0.00 H new ATOM 0 HA ALA A 40 3.800 0.032 -5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.234 0.439 -3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.520 0.769 -2.698 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.267 -0.745 -2.134 1.00 0.00 H new ATOM 647 N ARG A 41 6.134 -1.250 -4.697 1.00 0.00 N ATOM 648 CA ARG A 41 7.270 -2.123 -4.981 1.00 0.00 C ATOM 649 C ARG A 41 8.500 -1.625 -4.219 1.00 0.00 C ATOM 650 O ARG A 41 9.023 -0.543 -4.501 1.00 0.00 O ATOM 651 CB ARG A 41 7.567 -2.145 -6.482 1.00 0.00 C ATOM 652 CG ARG A 41 8.710 -3.129 -6.781 1.00 0.00 C ATOM 653 CD ARG A 41 8.155 -4.406 -7.425 1.00 0.00 C ATOM 654 NE ARG A 41 8.723 -4.598 -8.757 1.00 0.00 N ATOM 655 CZ ARG A 41 7.940 -4.762 -9.820 1.00 0.00 C ATOM 656 NH1 ARG A 41 7.447 -5.938 -10.091 1.00 0.00 N ATOM 657 NH2 ARG A 41 7.664 -3.745 -10.589 1.00 0.00 N ATOM 0 H ARG A 41 6.372 -0.261 -4.617 1.00 0.00 H new ATOM 0 HA ARG A 41 7.025 -3.135 -4.660 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.673 -2.436 -7.033 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.839 -1.146 -6.821 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.436 -2.663 -7.447 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.237 -3.377 -5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.387 -5.267 -6.797 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.069 -4.344 -7.492 1.00 0.00 H new ATOM 0 HE ARG A 41 9.736 -4.606 -8.874 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.662 -6.732 -9.488 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.847 -6.064 -10.906 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.048 -2.825 -10.375 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.064 -3.870 -11.404 1.00 0.00 H new ATOM 671 N LEU A 42 8.941 -2.419 -3.238 1.00 0.00 N ATOM 672 CA LEU A 42 10.095 -2.050 -2.419 1.00 0.00 C ATOM 673 C LEU A 42 11.404 -2.419 -3.115 1.00 0.00 C ATOM 674 O LEU A 42 11.443 -3.301 -3.976 1.00 0.00 O ATOM 675 CB LEU A 42 10.055 -2.752 -1.053 1.00 0.00 C ATOM 676 CG LEU A 42 8.626 -2.795 -0.493 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.653 -3.441 0.891 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.071 -1.374 -0.374 1.00 0.00 C ATOM 0 H LEU A 42 8.518 -3.315 -2.995 1.00 0.00 H new ATOM 0 HA LEU A 42 10.048 -0.971 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.441 -3.767 -1.151 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.707 -2.229 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 42 7.991 -3.374 -1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.642 -3.476 1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.047 -4.454 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.290 -2.855 1.554 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.057 -1.412 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.703 -0.792 0.297 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.058 -0.905 -1.358 1.00 0.00 H new ATOM 690 N LYS A 43 12.472 -1.725 -2.720 1.00 0.00 N ATOM 691 CA LYS A 43 13.799 -1.959 -3.290 1.00 0.00 C ATOM 692 C LYS A 43 14.558 -3.006 -2.480 1.00 0.00 C ATOM 693 O LYS A 43 14.944 -4.054 -2.997 1.00 0.00 O ATOM 694 CB LYS A 43 14.606 -0.648 -3.305 1.00 0.00 C ATOM 695 CG LYS A 43 14.700 -0.108 -4.733 1.00 0.00 C ATOM 696 CD LYS A 43 15.672 -0.965 -5.544 1.00 0.00 C ATOM 697 CE LYS A 43 17.106 -0.507 -5.273 1.00 0.00 C ATOM 698 NZ LYS A 43 18.031 -1.668 -5.404 1.00 0.00 N ATOM 0 H LYS A 43 12.444 -0.996 -2.007 1.00 0.00 H new ATOM 0 HA LYS A 43 13.671 -2.323 -4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.129 0.089 -2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.606 -0.822 -2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.716 -0.116 -5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.038 0.928 -4.719 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.558 -2.015 -5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.447 -0.881 -6.607 1.00 0.00 H new ATOM 0 HE2 LYS A 43 17.388 0.277 -5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 43 17.180 -0.080 -4.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.006 -1.357 -5.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.766 -2.402 -4.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.967 -2.056 -6.367 1.00 0.00 H new ATOM 712 N ASN A 44 14.774 -2.704 -1.202 1.00 0.00 N ATOM 713 CA ASN A 44 15.497 -3.614 -0.310 1.00 0.00 C ATOM 714 C ASN A 44 14.900 -5.024 -0.349 1.00 0.00 C ATOM 715 O ASN A 44 15.594 -6.012 -0.111 1.00 0.00 O ATOM 716 CB ASN A 44 15.450 -3.098 1.129 1.00 0.00 C ATOM 717 CG ASN A 44 16.616 -3.684 1.919 1.00 0.00 C ATOM 718 OD1 ASN A 44 16.625 -4.874 2.235 1.00 0.00 O ATOM 719 ND2 ASN A 44 17.611 -2.912 2.259 1.00 0.00 N ATOM 0 H ASN A 44 14.461 -1.840 -0.760 1.00 0.00 H new ATOM 0 HA ASN A 44 16.530 -3.657 -0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 44 15.502 -2.009 1.138 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.505 -3.376 1.595 1.00 0.00 H new ATOM 0 HD21 ASN A 44 18.396 -3.294 2.786 1.00 0.00 H new ATOM 0 HD22 ASN A 44 17.604 -1.926 1.997 1.00 0.00 H new ATOM 726 N ASN A 45 13.609 -5.100 -0.657 1.00 0.00 N ATOM 727 CA ASN A 45 12.926 -6.390 -0.732 1.00 0.00 C ATOM 728 C ASN A 45 12.740 -6.841 -2.183 1.00 0.00 C ATOM 729 O ASN A 45 12.434 -8.006 -2.441 1.00 0.00 O ATOM 730 CB ASN A 45 11.550 -6.301 -0.075 1.00 0.00 C ATOM 731 CG ASN A 45 11.703 -5.881 1.382 1.00 0.00 C ATOM 732 OD1 ASN A 45 12.109 -6.680 2.225 1.00 0.00 O ATOM 733 ND2 ASN A 45 11.399 -4.661 1.729 1.00 0.00 N ATOM 0 H ASN A 45 13.018 -4.293 -0.857 1.00 0.00 H new ATOM 0 HA ASN A 45 13.549 -7.115 -0.209 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.928 -5.582 -0.608 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.045 -7.265 -0.135 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.498 -4.368 2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.063 -4.000 1.028 1.00 0.00 H new ATOM 740 N ASN A 46 12.902 -5.901 -3.124 1.00 0.00 N ATOM 741 CA ASN A 46 12.739 -6.182 -4.560 1.00 0.00 C ATOM 742 C ASN A 46 11.485 -7.018 -4.821 1.00 0.00 C ATOM 743 O ASN A 46 11.553 -8.143 -5.315 1.00 0.00 O ATOM 744 CB ASN A 46 13.977 -6.887 -5.141 1.00 0.00 C ATOM 745 CG ASN A 46 14.199 -8.240 -4.469 1.00 0.00 C ATOM 746 OD1 ASN A 46 14.726 -8.310 -3.359 1.00 0.00 O ATOM 747 ND2 ASN A 46 13.831 -9.330 -5.087 1.00 0.00 N ATOM 0 H ASN A 46 13.147 -4.933 -2.916 1.00 0.00 H new ATOM 0 HA ASN A 46 12.626 -5.222 -5.064 1.00 0.00 H new ATOM 0 HB2 ASN A 46 13.851 -7.026 -6.215 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.857 -6.259 -5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.980 -10.239 -4.650 1.00 0.00 H new ATOM 0 HD22 ASN A 46 13.394 -9.272 -6.007 1.00 0.00 H new ATOM 754 N ARG A 47 10.339 -6.439 -4.479 1.00 0.00 N ATOM 755 CA ARG A 47 9.063 -7.122 -4.672 1.00 0.00 C ATOM 756 C ARG A 47 7.909 -6.136 -4.524 1.00 0.00 C ATOM 757 O ARG A 47 8.099 -4.999 -4.098 1.00 0.00 O ATOM 758 CB ARG A 47 8.894 -8.245 -3.646 1.00 0.00 C ATOM 759 CG ARG A 47 9.088 -7.683 -2.236 1.00 0.00 C ATOM 760 CD ARG A 47 8.635 -8.720 -1.208 1.00 0.00 C ATOM 761 NE ARG A 47 9.354 -9.978 -1.393 1.00 0.00 N ATOM 762 CZ ARG A 47 8.716 -11.144 -1.356 1.00 0.00 C ATOM 763 NH1 ARG A 47 7.821 -11.427 -2.263 1.00 0.00 N ATOM 764 NH2 ARG A 47 8.984 -12.004 -0.412 1.00 0.00 N ATOM 0 H ARG A 47 10.266 -5.507 -4.070 1.00 0.00 H new ATOM 0 HA ARG A 47 9.055 -7.547 -5.676 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.903 -8.690 -3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.618 -9.037 -3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.136 -7.429 -2.075 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.515 -6.763 -2.117 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.808 -8.341 -0.201 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.563 -8.891 -1.304 1.00 0.00 H new ATOM 0 HE ARG A 47 10.361 -9.962 -1.553 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.611 -10.754 -3.000 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.331 -12.321 -2.235 1.00 0.00 H new ATOM 0 HH21 ARG A 47 9.683 -11.782 0.297 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.495 -12.899 -0.383 1.00 0.00 H new ATOM 778 N GLN A 48 6.709 -6.585 -4.887 1.00 0.00 N ATOM 779 CA GLN A 48 5.529 -5.730 -4.797 1.00 0.00 C ATOM 780 C GLN A 48 4.796 -5.961 -3.476 1.00 0.00 C ATOM 781 O GLN A 48 4.620 -7.101 -3.045 1.00 0.00 O ATOM 782 CB GLN A 48 4.572 -6.021 -5.959 1.00 0.00 C ATOM 783 CG GLN A 48 3.412 -5.023 -5.943 1.00 0.00 C ATOM 784 CD GLN A 48 2.259 -5.569 -6.777 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.340 -5.616 -8.005 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.178 -5.989 -6.179 1.00 0.00 N ATOM 0 H GLN A 48 6.530 -7.524 -5.242 1.00 0.00 H new ATOM 0 HA GLN A 48 5.860 -4.693 -4.847 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.107 -5.955 -6.907 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.189 -7.038 -5.879 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.083 -4.848 -4.919 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.739 -4.062 -6.341 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.110 -5.950 -5.162 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.401 -6.356 -6.729 1.00 0.00 H new ATOM 795 N VAL A 49 4.364 -4.871 -2.836 1.00 0.00 N ATOM 796 CA VAL A 49 3.647 -4.997 -1.563 1.00 0.00 C ATOM 797 C VAL A 49 2.507 -3.994 -1.466 1.00 0.00 C ATOM 798 O VAL A 49 2.453 -3.015 -2.205 1.00 0.00 O ATOM 799 CB VAL A 49 4.578 -4.755 -0.372 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.486 -5.964 -0.168 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.433 -3.508 -0.622 1.00 0.00 C ATOM 0 H VAL A 49 4.493 -3.915 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 49 3.255 -6.014 -1.533 1.00 0.00 H new ATOM 0 HB VAL A 49 3.974 -4.603 0.523 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.146 -5.785 0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.878 -6.847 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.084 -6.125 -1.065 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.093 -3.342 0.230 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.031 -3.651 -1.522 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.784 -2.642 -0.752 1.00 0.00 H new ATOM 811 N CYS A 50 1.614 -4.238 -0.511 1.00 0.00 N ATOM 812 CA CYS A 50 0.492 -3.341 -0.277 1.00 0.00 C ATOM 813 C CYS A 50 0.870 -2.394 0.854 1.00 0.00 C ATOM 814 O CYS A 50 1.061 -2.828 1.991 1.00 0.00 O ATOM 815 CB CYS A 50 -0.756 -4.130 0.129 1.00 0.00 C ATOM 816 SG CYS A 50 -1.236 -5.256 -1.209 1.00 0.00 S ATOM 0 H CYS A 50 1.647 -5.047 0.110 1.00 0.00 H new ATOM 0 HA CYS A 50 0.272 -2.791 -1.192 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.559 -4.696 1.039 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.574 -3.445 0.351 1.00 0.00 H new ATOM 821 N ILE A 51 1.004 -1.106 0.544 1.00 0.00 N ATOM 822 CA ILE A 51 1.391 -0.153 1.580 1.00 0.00 C ATOM 823 C ILE A 51 0.183 0.320 2.367 1.00 0.00 C ATOM 824 O ILE A 51 -0.928 0.419 1.844 1.00 0.00 O ATOM 825 CB ILE A 51 2.139 1.050 1.002 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.276 0.550 0.105 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.729 1.857 2.162 1.00 0.00 C ATOM 828 CD1 ILE A 51 4.053 1.733 -0.474 1.00 0.00 C ATOM 0 H ILE A 51 0.856 -0.708 -0.384 1.00 0.00 H new ATOM 0 HA ILE A 51 2.068 -0.680 2.253 1.00 0.00 H new ATOM 0 HB ILE A 51 1.461 1.672 0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.947 -0.089 0.679 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.870 -0.058 -0.703 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.267 2.720 1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.925 2.197 2.815 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.416 1.229 2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.858 1.364 -1.109 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.381 2.356 -1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.475 2.324 0.339 1.00 0.00 H new ATOM 840 N ASP A 52 0.418 0.588 3.646 1.00 0.00 N ATOM 841 CA ASP A 52 -0.645 1.027 4.538 1.00 0.00 C ATOM 842 C ASP A 52 -0.944 2.516 4.328 1.00 0.00 C ATOM 843 O ASP A 52 -0.027 3.311 4.114 1.00 0.00 O ATOM 844 CB ASP A 52 -0.227 0.794 6.002 1.00 0.00 C ATOM 845 CG ASP A 52 -1.253 -0.094 6.703 1.00 0.00 C ATOM 846 OD1 ASP A 52 -1.690 -1.056 6.092 1.00 0.00 O ATOM 847 OD2 ASP A 52 -1.586 0.202 7.839 1.00 0.00 O ATOM 0 H ASP A 52 1.334 0.509 4.087 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.543 0.450 4.315 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.757 0.326 6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.145 1.749 6.522 1.00 0.00 H new ATOM 852 N PRO A 53 -2.224 2.922 4.398 1.00 0.00 N ATOM 853 CA PRO A 53 -2.609 4.337 4.223 1.00 0.00 C ATOM 854 C PRO A 53 -2.309 5.175 5.465 1.00 0.00 C ATOM 855 O PRO A 53 -2.174 6.396 5.388 1.00 0.00 O ATOM 856 CB PRO A 53 -4.108 4.257 3.969 1.00 0.00 C ATOM 857 CG PRO A 53 -4.589 2.951 4.578 1.00 0.00 C ATOM 858 CD PRO A 53 -3.379 2.020 4.657 1.00 0.00 C ATOM 0 HA PRO A 53 -2.055 4.823 3.420 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.622 5.106 4.420 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.321 4.286 2.900 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.010 3.120 5.569 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.377 2.508 3.968 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.304 1.543 5.634 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.438 1.222 3.917 1.00 0.00 H new ATOM 866 N LYS A 54 -2.199 4.503 6.611 1.00 0.00 N ATOM 867 CA LYS A 54 -1.907 5.192 7.864 1.00 0.00 C ATOM 868 C LYS A 54 -0.412 5.512 7.994 1.00 0.00 C ATOM 869 O LYS A 54 0.014 6.105 8.985 1.00 0.00 O ATOM 870 CB LYS A 54 -2.329 4.330 9.055 1.00 0.00 C ATOM 871 CG LYS A 54 -3.845 4.417 9.241 1.00 0.00 C ATOM 872 CD LYS A 54 -4.346 3.164 9.963 1.00 0.00 C ATOM 873 CE LYS A 54 -3.777 3.126 11.383 1.00 0.00 C ATOM 874 NZ LYS A 54 -4.699 3.844 12.308 1.00 0.00 N ATOM 0 H LYS A 54 -2.307 3.492 6.696 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.470 6.126 7.859 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.032 3.294 8.891 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.822 4.668 9.959 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.101 5.307 9.816 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.336 4.512 8.272 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.435 3.163 9.997 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.044 2.271 9.415 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -3.651 2.093 11.708 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.791 3.590 11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -4.312 3.818 13.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.798 4.833 12.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.631 3.383 12.296 1.00 0.00 H new ATOM 888 N LEU A 55 0.387 5.124 6.991 1.00 0.00 N ATOM 889 CA LEU A 55 1.824 5.393 7.033 1.00 0.00 C ATOM 890 C LEU A 55 2.081 6.893 7.142 1.00 0.00 C ATOM 891 O LEU A 55 1.198 7.708 6.876 1.00 0.00 O ATOM 892 CB LEU A 55 2.503 4.839 5.780 1.00 0.00 C ATOM 893 CG LEU A 55 3.093 3.453 6.070 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.721 2.887 4.795 1.00 0.00 C ATOM 895 CD2 LEU A 55 4.164 3.560 7.155 1.00 0.00 C ATOM 0 H LEU A 55 0.067 4.632 6.157 1.00 0.00 H new ATOM 0 HA LEU A 55 2.242 4.899 7.910 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.782 4.773 4.965 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.291 5.517 5.454 1.00 0.00 H new ATOM 0 HG LEU A 55 2.297 2.792 6.412 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.140 1.902 5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.958 2.802 4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.513 3.553 4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.579 2.572 7.356 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.959 4.225 6.817 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.720 3.959 8.067 1.00 0.00 H new ATOM 907 N LYS A 56 3.288 7.243 7.567 1.00 0.00 N ATOM 908 CA LYS A 56 3.639 8.642 7.748 1.00 0.00 C ATOM 909 C LYS A 56 3.988 9.321 6.432 1.00 0.00 C ATOM 910 O LYS A 56 3.640 10.481 6.213 1.00 0.00 O ATOM 911 CB LYS A 56 4.818 8.782 8.712 1.00 0.00 C ATOM 912 CG LYS A 56 4.302 8.786 10.153 1.00 0.00 C ATOM 913 CD LYS A 56 5.321 8.099 11.063 1.00 0.00 C ATOM 914 CE LYS A 56 4.999 6.606 11.154 1.00 0.00 C ATOM 915 NZ LYS A 56 5.351 6.104 12.513 1.00 0.00 N ATOM 0 H LYS A 56 4.033 6.583 7.791 1.00 0.00 H new ATOM 0 HA LYS A 56 2.760 9.134 8.164 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.519 7.960 8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.362 9.704 8.507 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.133 9.810 10.487 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.343 8.270 10.208 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.328 8.241 10.672 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.299 8.548 12.056 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.940 6.439 10.956 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.556 6.056 10.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.132 5.089 12.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.366 6.251 12.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.800 6.621 13.228 1.00 0.00 H new ATOM 929 N TRP A 57 4.683 8.607 5.557 1.00 0.00 N ATOM 930 CA TRP A 57 5.054 9.194 4.278 1.00 0.00 C ATOM 931 C TRP A 57 3.936 9.019 3.262 1.00 0.00 C ATOM 932 O TRP A 57 3.781 9.832 2.350 1.00 0.00 O ATOM 933 CB TRP A 57 6.361 8.604 3.740 1.00 0.00 C ATOM 934 CG TRP A 57 6.226 7.141 3.453 1.00 0.00 C ATOM 935 CD1 TRP A 57 6.351 6.144 4.363 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.959 6.498 2.177 1.00 0.00 C ATOM 937 NE1 TRP A 57 6.207 4.931 3.711 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.956 5.100 2.366 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.727 6.993 0.883 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.735 4.221 1.308 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.495 6.111 -0.186 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.502 4.726 0.027 1.00 0.00 C ATOM 0 H TRP A 57 4.994 7.647 5.703 1.00 0.00 H new ATOM 0 HA TRP A 57 5.215 10.259 4.444 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.651 9.129 2.830 1.00 0.00 H new ATOM 0 HB3 TRP A 57 7.158 8.761 4.466 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.533 6.274 5.420 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.278 4.023 4.170 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.727 8.059 0.709 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.744 3.154 1.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.311 6.502 -1.176 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.328 4.051 -0.798 1.00 0.00 H new ATOM 953 N ILE A 58 3.148 7.957 3.423 1.00 0.00 N ATOM 954 CA ILE A 58 2.054 7.721 2.504 1.00 0.00 C ATOM 955 C ILE A 58 0.860 8.615 2.861 1.00 0.00 C ATOM 956 O ILE A 58 0.018 8.884 2.006 1.00 0.00 O ATOM 957 CB ILE A 58 1.673 6.222 2.469 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.713 5.500 1.559 1.00 0.00 C ATOM 959 CG2 ILE A 58 0.222 6.018 1.956 1.00 0.00 C ATOM 960 CD1 ILE A 58 2.089 4.384 0.701 1.00 0.00 C ATOM 0 H ILE A 58 3.248 7.265 4.166 1.00 0.00 H new ATOM 0 HA ILE A 58 2.375 7.987 1.497 1.00 0.00 H new ATOM 0 HB ILE A 58 1.697 5.800 3.474 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.186 6.233 0.905 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.500 5.075 2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.013 4.954 1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.474 6.536 2.616 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.133 6.421 0.947 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.863 3.919 0.090 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.640 3.633 1.351 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.322 4.809 0.054 1.00 0.00 H new ATOM 972 N GLN A 59 0.786 9.087 4.111 1.00 0.00 N ATOM 973 CA GLN A 59 -0.323 9.952 4.482 1.00 0.00 C ATOM 974 C GLN A 59 -0.200 11.288 3.752 1.00 0.00 C ATOM 975 O GLN A 59 -1.203 11.925 3.427 1.00 0.00 O ATOM 976 CB GLN A 59 -0.387 10.185 5.996 1.00 0.00 C ATOM 977 CG GLN A 59 0.945 10.735 6.503 1.00 0.00 C ATOM 978 CD GLN A 59 0.695 11.669 7.682 1.00 0.00 C ATOM 979 OE1 GLN A 59 -0.288 11.515 8.406 1.00 0.00 O ATOM 980 NE2 GLN A 59 1.535 12.639 7.919 1.00 0.00 N ATOM 0 H GLN A 59 1.457 8.890 4.853 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.247 9.454 4.188 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.190 10.884 6.230 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.620 9.250 6.505 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.597 9.916 6.806 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.457 11.270 5.704 1.00 0.00 H new ATOM 0 HE21 GLN A 59 2.350 12.766 7.319 1.00 0.00 H new ATOM 0 HE22 GLN A 59 1.377 13.270 8.705 1.00 0.00 H new ATOM 989 N GLU A 60 1.040 11.692 3.469 1.00 0.00 N ATOM 990 CA GLU A 60 1.272 12.936 2.744 1.00 0.00 C ATOM 991 C GLU A 60 1.039 12.699 1.256 1.00 0.00 C ATOM 992 O GLU A 60 0.523 13.560 0.542 1.00 0.00 O ATOM 993 CB GLU A 60 2.706 13.427 2.956 1.00 0.00 C ATOM 994 CG GLU A 60 2.792 14.203 4.271 1.00 0.00 C ATOM 995 CD GLU A 60 4.221 14.150 4.802 1.00 0.00 C ATOM 996 OE1 GLU A 60 5.134 14.281 4.002 1.00 0.00 O ATOM 997 OE2 GLU A 60 4.382 13.979 5.999 1.00 0.00 O ATOM 0 H GLU A 60 1.885 11.183 3.727 1.00 0.00 H new ATOM 0 HA GLU A 60 0.584 13.693 3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.392 12.580 2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.010 14.064 2.125 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.489 15.238 4.115 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.105 13.777 5.002 1.00 0.00 H new ATOM 1004 N TYR A 61 1.419 11.504 0.807 1.00 0.00 N ATOM 1005 CA TYR A 61 1.248 11.119 -0.591 1.00 0.00 C ATOM 1006 C TYR A 61 -0.246 11.016 -0.911 1.00 0.00 C ATOM 1007 O TYR A 61 -0.736 11.617 -1.867 1.00 0.00 O ATOM 1008 CB TYR A 61 1.982 9.771 -0.837 1.00 0.00 C ATOM 1009 CG TYR A 61 1.341 8.947 -1.939 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.052 9.526 -3.180 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.031 7.603 -1.703 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.454 8.756 -4.187 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.434 6.835 -2.706 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.146 7.411 -3.950 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.444 6.653 -4.942 1.00 0.00 O ATOM 0 H TYR A 61 1.847 10.786 1.392 1.00 0.00 H new ATOM 0 HA TYR A 61 1.681 11.870 -1.252 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.022 9.970 -1.096 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.989 9.192 0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.289 10.564 -3.361 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.254 7.159 -0.744 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.231 9.200 -5.146 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.195 5.798 -2.522 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.590 5.741 -4.614 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.957 10.248 -0.096 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.389 10.070 -0.292 1.00 0.00 C ATOM 1027 C LEU A 62 -3.116 11.407 -0.150 1.00 0.00 C ATOM 1028 O LEU A 62 -4.180 11.617 -0.732 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.937 9.079 0.739 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.905 8.104 0.064 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -4.025 6.833 0.908 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -5.281 8.760 -0.064 1.00 0.00 C ATOM 0 H LEU A 62 -0.569 9.742 0.701 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.556 9.680 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.116 8.529 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.448 9.617 1.538 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.528 7.848 -0.926 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.715 6.140 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.045 6.364 1.001 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.401 7.088 1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.971 8.067 -0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -5.655 9.016 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -5.198 9.665 -0.666 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.525 12.307 0.633 1.00 0.00 N ATOM 1045 CA GLU A 63 -3.120 13.623 0.848 1.00 0.00 C ATOM 1046 C GLU A 63 -2.990 14.481 -0.407 1.00 0.00 C ATOM 1047 O GLU A 63 -3.922 15.183 -0.795 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.432 14.337 2.014 1.00 0.00 C ATOM 1049 CG GLU A 63 -3.150 13.989 3.321 1.00 0.00 C ATOM 1050 CD GLU A 63 -4.215 15.040 3.613 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -4.906 15.428 2.684 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -4.325 15.441 4.760 1.00 0.00 O ATOM 0 H GLU A 63 -1.645 12.152 1.124 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.175 13.480 1.081 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.385 14.038 2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.447 15.415 1.854 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.608 13.003 3.245 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.433 13.945 4.141 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.819 14.416 -1.037 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.576 15.193 -2.249 1.00 0.00 C ATOM 1061 C LYS A 64 -2.239 14.529 -3.454 1.00 0.00 C ATOM 1062 O LYS A 64 -2.675 15.201 -4.389 1.00 0.00 O ATOM 1063 CB LYS A 64 -0.071 15.336 -2.513 1.00 0.00 C ATOM 1064 CG LYS A 64 0.573 13.951 -2.647 1.00 0.00 C ATOM 1065 CD LYS A 64 2.024 14.106 -3.104 1.00 0.00 C ATOM 1066 CE LYS A 64 2.912 14.408 -1.895 1.00 0.00 C ATOM 1067 NZ LYS A 64 4.335 14.127 -2.240 1.00 0.00 N ATOM 0 H LYS A 64 -1.033 13.841 -0.733 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.007 16.183 -2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.093 15.912 -3.424 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.399 15.887 -1.698 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.535 13.427 -1.692 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.017 13.347 -3.364 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.360 13.194 -3.597 1.00 0.00 H new ATOM 0 HD3 LYS A 64 2.102 14.910 -3.835 1.00 0.00 H new ATOM 0 HE2 LYS A 64 2.798 15.451 -1.598 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.606 13.799 -1.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.938 14.332 -1.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.437 13.126 -2.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.623 14.726 -3.040 1.00 0.00 H new ATOM 1081 N ALA A 65 -2.309 13.201 -3.419 1.00 0.00 N ATOM 1082 CA ALA A 65 -2.922 12.452 -4.513 1.00 0.00 C ATOM 1083 C ALA A 65 -4.409 12.778 -4.614 1.00 0.00 C ATOM 1084 O ALA A 65 -4.986 12.787 -5.702 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.757 10.947 -4.292 1.00 0.00 C ATOM 0 H ALA A 65 -1.954 12.626 -2.655 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.422 12.740 -5.438 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.220 10.405 -5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.696 10.700 -4.245 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.237 10.662 -3.356 1.00 0.00 H new