USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 612 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 CYS SG : rot 26:sc= 0.0396 USER MOD Set 1.2: A 52 SER OG : rot 117:sc= -0.144 USER MOD Set 1.3: A 54 SER OG : rot -80:sc= -2.02 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 19:sc= 0.945 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -160:sc= -0.958 USER MOD Single : A 35 SER OG : rot 37:sc= 0.0464 USER MOD Single : A 39 GLN : amide:sc= -0.011 X(o=-0.011,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 HIS : no HD1:sc= -1.52 K(o=-1.5,f=-3.5!) USER MOD Single : A 64 GLN : amide:sc= -5.74! C(o=-5.7!,f=-6.3!) USER MOD Single : A 69 ASN : amide:sc= -6.88! C(o=-6.9!,f=-6.9!) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.0123 X(o=-0.012,f=-0.14) USER MOD Single : A 78 HIS : no HE2:sc= -0.998 K(o=-1,f=-2.4!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.273 F(o=-1.3,f=-0.27) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 58:sc= -2.59! USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 187 N GLU A 16 -4.964 -5.453 -13.666 1.00 0.00 N ATOM 188 CA GLU A 16 -3.595 -5.191 -13.253 1.00 0.00 C ATOM 189 C GLU A 16 -3.177 -3.779 -13.667 1.00 0.00 C ATOM 190 O GLU A 16 -2.565 -3.592 -14.718 1.00 0.00 O ATOM 191 CB GLU A 16 -2.639 -6.238 -13.830 1.00 0.00 C ATOM 192 CG GLU A 16 -2.558 -7.465 -12.920 1.00 0.00 C ATOM 193 CD GLU A 16 -1.902 -8.642 -13.646 1.00 0.00 C ATOM 194 OE1 GLU A 16 -0.843 -8.407 -14.267 1.00 0.00 O ATOM 195 OE2 GLU A 16 -2.474 -9.750 -13.563 1.00 0.00 O ATOM 0 HA GLU A 16 -3.544 -5.260 -12.166 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.978 -6.538 -14.822 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.647 -5.803 -13.950 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.987 -7.221 -12.024 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.559 -7.747 -12.593 1.00 0.00 H new ATOM 202 N LYS A 17 -3.523 -2.821 -12.820 1.00 0.00 N ATOM 203 CA LYS A 17 -3.191 -1.432 -13.084 1.00 0.00 C ATOM 204 C LYS A 17 -2.139 -0.962 -12.077 1.00 0.00 C ATOM 205 O LYS A 17 -2.162 -1.368 -10.916 1.00 0.00 O ATOM 206 CB LYS A 17 -4.456 -0.572 -13.099 1.00 0.00 C ATOM 207 CG LYS A 17 -4.981 -0.346 -11.679 1.00 0.00 C ATOM 208 CD LYS A 17 -5.721 0.989 -11.574 1.00 0.00 C ATOM 209 CE LYS A 17 -7.173 0.779 -11.139 1.00 0.00 C ATOM 210 NZ LYS A 17 -8.102 1.217 -12.204 1.00 0.00 N ATOM 0 H LYS A 17 -4.030 -2.980 -11.950 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.751 -1.328 -14.076 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.242 0.388 -13.569 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.223 -1.058 -13.702 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.651 -1.160 -11.401 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.150 -0.362 -10.973 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.213 1.635 -10.858 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.696 1.499 -12.537 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.342 -0.273 -10.911 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.369 1.339 -10.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -9.083 1.067 -11.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.952 2.227 -12.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -7.925 0.665 -13.067 1.00 0.00 H new ATOM 224 N LYS A 18 -1.242 -0.114 -12.558 1.00 0.00 N ATOM 225 CA LYS A 18 -0.184 0.415 -11.714 1.00 0.00 C ATOM 226 C LYS A 18 -0.619 1.767 -11.145 1.00 0.00 C ATOM 227 O LYS A 18 -1.215 2.578 -11.852 1.00 0.00 O ATOM 228 CB LYS A 18 1.138 0.467 -12.481 1.00 0.00 C ATOM 229 CG LYS A 18 2.267 0.994 -11.593 1.00 0.00 C ATOM 230 CD LYS A 18 2.664 2.415 -11.996 1.00 0.00 C ATOM 231 CE LYS A 18 3.546 2.406 -13.245 1.00 0.00 C ATOM 232 NZ LYS A 18 3.252 3.580 -14.097 1.00 0.00 N ATOM 0 H LYS A 18 -1.226 0.220 -13.522 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.007 -0.246 -10.866 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.391 -0.529 -12.844 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.030 1.108 -13.356 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.949 0.983 -10.550 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.132 0.335 -11.670 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.768 3.007 -12.184 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.196 2.894 -11.174 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.597 2.414 -12.955 1.00 0.00 H new ATOM 0 HE3 LYS A 18 3.378 1.489 -13.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.860 3.558 -14.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.254 3.556 -14.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.435 4.452 -13.561 1.00 0.00 H new ATOM 246 N VAL A 19 -0.304 1.967 -9.874 1.00 0.00 N ATOM 247 CA VAL A 19 -0.655 3.207 -9.203 1.00 0.00 C ATOM 248 C VAL A 19 0.495 3.628 -8.285 1.00 0.00 C ATOM 249 O VAL A 19 0.916 2.862 -7.420 1.00 0.00 O ATOM 250 CB VAL A 19 -1.983 3.043 -8.460 1.00 0.00 C ATOM 251 CG1 VAL A 19 -3.164 3.103 -9.430 1.00 0.00 C ATOM 252 CG2 VAL A 19 -2.002 1.743 -7.653 1.00 0.00 C ATOM 0 H VAL A 19 0.190 1.291 -9.291 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.801 4.006 -9.930 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.081 3.873 -7.761 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.096 2.984 -8.877 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.166 4.066 -9.941 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.073 2.302 -10.164 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.956 1.650 -7.135 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.871 0.895 -8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.192 1.756 -6.923 1.00 0.00 H new ATOM 262 N PHE A 20 0.970 4.845 -8.505 1.00 0.00 N ATOM 263 CA PHE A 20 2.063 5.377 -7.709 1.00 0.00 C ATOM 264 C PHE A 20 1.536 6.257 -6.574 1.00 0.00 C ATOM 265 O PHE A 20 0.833 7.237 -6.818 1.00 0.00 O ATOM 266 CB PHE A 20 2.922 6.231 -8.643 1.00 0.00 C ATOM 267 CG PHE A 20 4.425 5.971 -8.518 1.00 0.00 C ATOM 268 CD1 PHE A 20 5.009 5.939 -7.290 1.00 0.00 C ATOM 269 CD2 PHE A 20 5.176 5.772 -9.634 1.00 0.00 C ATOM 270 CE1 PHE A 20 6.403 5.697 -7.173 1.00 0.00 C ATOM 271 CE2 PHE A 20 6.571 5.531 -9.517 1.00 0.00 C ATOM 272 CZ PHE A 20 7.155 5.499 -8.289 1.00 0.00 C ATOM 0 H PHE A 20 0.618 5.478 -9.223 1.00 0.00 H new ATOM 0 HA PHE A 20 2.633 4.560 -7.266 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.616 6.045 -9.673 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.727 7.284 -8.438 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.412 6.098 -6.404 1.00 0.00 H new ATOM 0 HD2 PHE A 20 4.712 5.797 -10.609 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.866 5.670 -6.198 1.00 0.00 H new ATOM 0 HE2 PHE A 20 7.168 5.373 -10.403 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.216 5.316 -8.200 1.00 0.00 H new ATOM 282 N ILE A 21 1.895 5.876 -5.357 1.00 0.00 N ATOM 283 CA ILE A 21 1.468 6.618 -4.183 1.00 0.00 C ATOM 284 C ILE A 21 2.664 7.370 -3.597 1.00 0.00 C ATOM 285 O ILE A 21 3.648 6.756 -3.187 1.00 0.00 O ATOM 286 CB ILE A 21 0.776 5.689 -3.184 1.00 0.00 C ATOM 287 CG1 ILE A 21 -0.456 5.031 -3.810 1.00 0.00 C ATOM 288 CG2 ILE A 21 0.435 6.431 -1.890 1.00 0.00 C ATOM 289 CD1 ILE A 21 -1.648 5.989 -3.811 1.00 0.00 C ATOM 0 H ILE A 21 2.477 5.062 -5.158 1.00 0.00 H new ATOM 0 HA ILE A 21 0.723 7.366 -4.456 1.00 0.00 H new ATOM 0 HB ILE A 21 1.470 4.890 -2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.230 4.725 -4.831 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.711 4.128 -3.256 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.056 5.748 -1.197 1.00 0.00 H new ATOM 0 HG22 ILE A 21 1.350 6.811 -1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.233 7.263 -2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.510 5.497 -4.261 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.887 6.274 -2.786 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.398 6.880 -4.386 1.00 0.00 H new ATOM 301 N SER A 22 2.541 8.689 -3.575 1.00 0.00 N ATOM 302 CA SER A 22 3.600 9.531 -3.046 1.00 0.00 C ATOM 303 C SER A 22 3.147 10.180 -1.736 1.00 0.00 C ATOM 304 O SER A 22 2.232 11.002 -1.731 1.00 0.00 O ATOM 305 CB SER A 22 4.008 10.605 -4.057 1.00 0.00 C ATOM 306 OG SER A 22 2.995 11.592 -4.225 1.00 0.00 O ATOM 0 H SER A 22 1.724 9.195 -3.915 1.00 0.00 H new ATOM 0 HA SER A 22 4.470 8.904 -2.852 1.00 0.00 H new ATOM 0 HB2 SER A 22 4.929 11.084 -3.725 1.00 0.00 H new ATOM 0 HB3 SER A 22 4.220 10.136 -5.018 1.00 0.00 H new ATOM 0 HG SER A 22 2.381 11.564 -3.462 1.00 0.00 H new ATOM 312 N LEU A 23 3.809 9.787 -0.658 1.00 0.00 N ATOM 313 CA LEU A 23 3.486 10.320 0.655 1.00 0.00 C ATOM 314 C LEU A 23 4.186 11.668 0.839 1.00 0.00 C ATOM 315 O LEU A 23 4.971 11.841 1.770 1.00 0.00 O ATOM 316 CB LEU A 23 3.820 9.299 1.744 1.00 0.00 C ATOM 317 CG LEU A 23 2.767 8.218 1.996 1.00 0.00 C ATOM 318 CD1 LEU A 23 1.535 8.804 2.690 1.00 0.00 C ATOM 319 CD2 LEU A 23 2.403 7.493 0.699 1.00 0.00 C ATOM 0 H LEU A 23 4.568 9.106 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 23 2.415 10.503 0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.758 8.810 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.991 9.836 2.677 1.00 0.00 H new ATOM 0 HG LEU A 23 3.195 7.476 2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.802 8.015 2.858 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.828 9.236 3.647 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.097 9.579 2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.653 6.730 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.003 8.209 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.294 7.022 0.283 1.00 0.00 H new ATOM 415 N GLY A 30 -4.904 7.980 2.646 1.00 0.00 N ATOM 416 CA GLY A 30 -6.191 8.034 3.319 1.00 0.00 C ATOM 417 C GLY A 30 -7.040 6.808 2.978 1.00 0.00 C ATOM 418 O GLY A 30 -8.268 6.878 2.982 1.00 0.00 O ATOM 0 HA2 GLY A 30 -6.040 8.087 4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.721 8.940 3.026 1.00 0.00 H new ATOM 422 N CYS A 31 -6.352 5.712 2.693 1.00 0.00 N ATOM 423 CA CYS A 31 -7.027 4.472 2.351 1.00 0.00 C ATOM 424 C CYS A 31 -6.675 3.426 3.410 1.00 0.00 C ATOM 425 O CYS A 31 -5.550 3.392 3.905 1.00 0.00 O ATOM 426 CB CYS A 31 -6.665 4.001 0.941 1.00 0.00 C ATOM 427 SG CYS A 31 -4.848 3.863 0.774 1.00 0.00 S ATOM 0 H CYS A 31 -5.333 5.657 2.692 1.00 0.00 H new ATOM 0 HA CYS A 31 -8.105 4.632 2.344 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -7.131 3.036 0.740 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -7.054 4.703 0.203 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.319 3.660 1.944 1.00 0.00 H new ATOM 433 N SER A 32 -7.660 2.597 3.727 1.00 0.00 N ATOM 434 CA SER A 32 -7.468 1.553 4.719 1.00 0.00 C ATOM 435 C SER A 32 -7.199 0.216 4.025 1.00 0.00 C ATOM 436 O SER A 32 -7.849 -0.116 3.036 1.00 0.00 O ATOM 437 CB SER A 32 -8.685 1.437 5.639 1.00 0.00 C ATOM 438 OG SER A 32 -8.324 1.516 7.015 1.00 0.00 O ATOM 0 H SER A 32 -8.592 2.628 3.314 1.00 0.00 H new ATOM 0 HA SER A 32 -6.607 1.818 5.332 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.394 2.231 5.404 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.192 0.491 5.451 1.00 0.00 H new ATOM 0 HG SER A 32 -9.129 1.440 7.569 1.00 0.00 H new ATOM 444 N ILE A 33 -6.238 -0.515 4.572 1.00 0.00 N ATOM 445 CA ILE A 33 -5.874 -1.808 4.018 1.00 0.00 C ATOM 446 C ILE A 33 -6.266 -2.909 5.006 1.00 0.00 C ATOM 447 O ILE A 33 -6.181 -2.719 6.218 1.00 0.00 O ATOM 448 CB ILE A 33 -4.394 -1.827 3.631 1.00 0.00 C ATOM 449 CG1 ILE A 33 -3.507 -1.526 4.840 1.00 0.00 C ATOM 450 CG2 ILE A 33 -4.120 -0.873 2.467 1.00 0.00 C ATOM 451 CD1 ILE A 33 -2.107 -2.116 4.654 1.00 0.00 C ATOM 0 H ILE A 33 -5.701 -0.236 5.393 1.00 0.00 H new ATOM 0 HA ILE A 33 -6.423 -1.996 3.095 1.00 0.00 H new ATOM 0 HB ILE A 33 -4.143 -2.831 3.290 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.435 -0.448 4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.962 -1.938 5.741 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.061 -0.905 2.212 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.711 -1.175 1.602 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.392 0.142 2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.497 -1.887 5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.181 -3.197 4.535 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.645 -1.684 3.766 1.00 0.00 H new ATOM 463 N SER A 34 -6.686 -4.036 4.450 1.00 0.00 N ATOM 464 CA SER A 34 -7.091 -5.167 5.266 1.00 0.00 C ATOM 465 C SER A 34 -6.339 -6.425 4.827 1.00 0.00 C ATOM 466 O SER A 34 -6.126 -6.641 3.635 1.00 0.00 O ATOM 467 CB SER A 34 -8.602 -5.396 5.181 1.00 0.00 C ATOM 468 OG SER A 34 -9.337 -4.200 5.428 1.00 0.00 O ATOM 0 H SER A 34 -6.754 -4.190 3.444 1.00 0.00 H new ATOM 0 HA SER A 34 -6.842 -4.945 6.304 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.856 -5.780 4.193 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.895 -6.158 5.904 1.00 0.00 H new ATOM 0 HG SER A 34 -10.257 -4.427 5.679 1.00 0.00 H new ATOM 474 N SER A 35 -5.957 -7.223 5.814 1.00 0.00 N ATOM 475 CA SER A 35 -5.233 -8.453 5.545 1.00 0.00 C ATOM 476 C SER A 35 -6.203 -9.539 5.076 1.00 0.00 C ATOM 477 O SER A 35 -7.207 -9.807 5.735 1.00 0.00 O ATOM 478 CB SER A 35 -4.467 -8.924 6.783 1.00 0.00 C ATOM 479 OG SER A 35 -5.299 -8.971 7.939 1.00 0.00 O ATOM 0 H SER A 35 -6.136 -7.041 6.802 1.00 0.00 H new ATOM 0 HA SER A 35 -4.508 -8.257 4.755 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.049 -9.913 6.596 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.628 -8.253 6.967 1.00 0.00 H new ATOM 0 HG SER A 35 -6.194 -9.278 7.685 1.00 0.00 H new ATOM 485 N GLY A 36 -5.870 -10.136 3.941 1.00 0.00 N ATOM 486 CA GLY A 36 -6.699 -11.187 3.376 1.00 0.00 C ATOM 487 C GLY A 36 -6.544 -12.490 4.162 1.00 0.00 C ATOM 488 O GLY A 36 -5.619 -12.631 4.961 1.00 0.00 O ATOM 0 H GLY A 36 -5.037 -9.912 3.397 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.743 -10.875 3.384 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.424 -11.352 2.334 1.00 0.00 H new ATOM 492 N PRO A 37 -7.486 -13.435 3.901 1.00 0.00 N ATOM 493 CA PRO A 37 -7.462 -14.722 4.575 1.00 0.00 C ATOM 494 C PRO A 37 -6.359 -15.617 4.008 1.00 0.00 C ATOM 495 O PRO A 37 -5.557 -15.176 3.186 1.00 0.00 O ATOM 496 CB PRO A 37 -8.855 -15.297 4.374 1.00 0.00 C ATOM 497 CG PRO A 37 -9.459 -14.530 3.209 1.00 0.00 C ATOM 498 CD PRO A 37 -8.596 -13.303 2.961 1.00 0.00 C ATOM 0 HA PRO A 37 -7.230 -14.637 5.637 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -8.809 -16.364 4.157 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.459 -15.180 5.274 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -9.497 -15.157 2.318 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.484 -14.236 3.436 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.241 -13.270 1.931 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.155 -12.384 3.135 1.00 0.00 H new ATOM 506 N ILE A 38 -6.352 -16.859 4.470 1.00 0.00 N ATOM 507 CA ILE A 38 -5.360 -17.820 4.020 1.00 0.00 C ATOM 508 C ILE A 38 -5.661 -18.217 2.573 1.00 0.00 C ATOM 509 O ILE A 38 -4.751 -18.543 1.813 1.00 0.00 O ATOM 510 CB ILE A 38 -5.290 -19.008 4.981 1.00 0.00 C ATOM 511 CG1 ILE A 38 -4.337 -20.084 4.455 1.00 0.00 C ATOM 512 CG2 ILE A 38 -6.685 -19.568 5.265 1.00 0.00 C ATOM 513 CD1 ILE A 38 -2.988 -20.020 5.174 1.00 0.00 C ATOM 0 H ILE A 38 -7.018 -17.222 5.152 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.366 -17.373 4.029 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.886 -18.655 5.930 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.782 -21.069 4.596 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.189 -19.951 3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.606 -20.412 5.951 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -7.304 -18.792 5.715 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -7.140 -19.900 4.332 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.329 -20.795 4.782 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.535 -19.042 5.011 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.137 -20.177 6.242 1.00 0.00 H new ATOM 525 N GLN A 39 -6.942 -18.177 2.236 1.00 0.00 N ATOM 526 CA GLN A 39 -7.374 -18.528 0.894 1.00 0.00 C ATOM 527 C GLN A 39 -7.107 -17.370 -0.070 1.00 0.00 C ATOM 528 O GLN A 39 -6.881 -17.588 -1.260 1.00 0.00 O ATOM 529 CB GLN A 39 -8.852 -18.924 0.880 1.00 0.00 C ATOM 530 CG GLN A 39 -9.742 -17.730 1.232 1.00 0.00 C ATOM 531 CD GLN A 39 -11.135 -18.194 1.663 1.00 0.00 C ATOM 532 OE1 GLN A 39 -11.848 -18.863 0.933 1.00 0.00 O ATOM 533 NE2 GLN A 39 -11.482 -17.802 2.885 1.00 0.00 N ATOM 0 H GLN A 39 -7.695 -17.907 2.869 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.797 -19.391 0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -9.121 -19.305 -0.105 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -9.023 -19.732 1.592 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -9.282 -17.153 2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -9.826 -17.067 0.371 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -10.837 -17.243 3.444 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.393 -18.060 3.264 1.00 0.00 H new ATOM 542 N LYS A 40 -7.142 -16.165 0.479 1.00 0.00 N ATOM 543 CA LYS A 40 -6.906 -14.973 -0.317 1.00 0.00 C ATOM 544 C LYS A 40 -6.013 -14.009 0.467 1.00 0.00 C ATOM 545 O LYS A 40 -6.427 -12.897 0.791 1.00 0.00 O ATOM 546 CB LYS A 40 -8.233 -14.356 -0.763 1.00 0.00 C ATOM 547 CG LYS A 40 -8.034 -13.445 -1.977 1.00 0.00 C ATOM 548 CD LYS A 40 -9.346 -13.256 -2.742 1.00 0.00 C ATOM 549 CE LYS A 40 -9.283 -12.019 -3.640 1.00 0.00 C ATOM 550 NZ LYS A 40 -9.663 -12.367 -5.028 1.00 0.00 N ATOM 0 H LYS A 40 -7.330 -15.989 1.466 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.374 -15.227 -1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.941 -15.147 -1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.667 -13.785 0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -7.656 -12.476 -1.651 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.282 -13.874 -2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.549 -14.139 -3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.171 -13.156 -2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.952 -11.249 -3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.276 -11.603 -3.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.615 -11.517 -5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.009 -13.086 -5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.633 -12.743 -5.039 1.00 0.00 H new ATOM 564 N PRO A 41 -4.772 -14.483 0.757 1.00 0.00 N ATOM 565 CA PRO A 41 -3.817 -13.676 1.497 1.00 0.00 C ATOM 566 C PRO A 41 -3.227 -12.576 0.613 1.00 0.00 C ATOM 567 O PRO A 41 -3.017 -12.781 -0.582 1.00 0.00 O ATOM 568 CB PRO A 41 -2.772 -14.662 1.995 1.00 0.00 C ATOM 569 CG PRO A 41 -2.925 -15.903 1.132 1.00 0.00 C ATOM 570 CD PRO A 41 -4.247 -15.795 0.390 1.00 0.00 C ATOM 0 HA PRO A 41 -4.274 -13.144 2.331 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -1.769 -14.246 1.906 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.927 -14.897 3.048 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.097 -15.982 0.427 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -2.906 -16.802 1.749 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -4.104 -15.877 -0.687 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.931 -16.591 0.682 1.00 0.00 H new ATOM 578 N GLY A 42 -2.977 -11.432 1.234 1.00 0.00 N ATOM 579 CA GLY A 42 -2.416 -10.299 0.518 1.00 0.00 C ATOM 580 C GLY A 42 -2.829 -8.979 1.172 1.00 0.00 C ATOM 581 O GLY A 42 -3.105 -8.935 2.369 1.00 0.00 O ATOM 0 H GLY A 42 -3.153 -11.266 2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.329 -10.377 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.752 -10.316 -0.519 1.00 0.00 H new ATOM 585 N ILE A 43 -2.858 -7.935 0.356 1.00 0.00 N ATOM 586 CA ILE A 43 -3.232 -6.617 0.840 1.00 0.00 C ATOM 587 C ILE A 43 -4.361 -6.061 -0.030 1.00 0.00 C ATOM 588 O ILE A 43 -4.239 -6.006 -1.253 1.00 0.00 O ATOM 589 CB ILE A 43 -2.006 -5.705 0.913 1.00 0.00 C ATOM 590 CG1 ILE A 43 -0.913 -6.325 1.786 1.00 0.00 C ATOM 591 CG2 ILE A 43 -2.393 -4.303 1.388 1.00 0.00 C ATOM 592 CD1 ILE A 43 -1.357 -6.403 3.248 1.00 0.00 C ATOM 0 H ILE A 43 -2.629 -7.975 -0.637 1.00 0.00 H new ATOM 0 HA ILE A 43 -3.615 -6.680 1.859 1.00 0.00 H new ATOM 0 HB ILE A 43 -1.596 -5.602 -0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.674 -7.324 1.421 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.002 -5.732 1.710 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.503 -3.675 1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.111 -3.868 0.692 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.841 -4.366 2.380 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.562 -6.847 3.847 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.572 -5.400 3.617 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.254 -7.017 3.323 1.00 0.00 H new ATOM 604 N PHE A 44 -5.435 -5.662 0.635 1.00 0.00 N ATOM 605 CA PHE A 44 -6.585 -5.112 -0.062 1.00 0.00 C ATOM 606 C PHE A 44 -7.084 -3.837 0.623 1.00 0.00 C ATOM 607 O PHE A 44 -6.920 -3.673 1.831 1.00 0.00 O ATOM 608 CB PHE A 44 -7.689 -6.170 -0.009 1.00 0.00 C ATOM 609 CG PHE A 44 -7.218 -7.579 -0.374 1.00 0.00 C ATOM 610 CD1 PHE A 44 -6.354 -8.240 0.443 1.00 0.00 C ATOM 611 CD2 PHE A 44 -7.663 -8.171 -1.515 1.00 0.00 C ATOM 612 CE1 PHE A 44 -5.917 -9.548 0.104 1.00 0.00 C ATOM 613 CE2 PHE A 44 -7.225 -9.478 -1.853 1.00 0.00 C ATOM 614 CZ PHE A 44 -6.361 -10.139 -1.037 1.00 0.00 C ATOM 0 H PHE A 44 -5.533 -5.709 1.649 1.00 0.00 H new ATOM 0 HA PHE A 44 -6.312 -4.859 -1.087 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -8.113 -6.188 0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -8.490 -5.879 -0.688 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -6.001 -7.770 1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -8.349 -7.647 -2.163 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.232 -10.073 0.753 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.578 -9.948 -2.759 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.028 -11.133 -1.295 1.00 0.00 H new ATOM 624 N ILE A 45 -7.682 -2.968 -0.178 1.00 0.00 N ATOM 625 CA ILE A 45 -8.205 -1.714 0.336 1.00 0.00 C ATOM 626 C ILE A 45 -9.599 -1.949 0.922 1.00 0.00 C ATOM 627 O ILE A 45 -10.380 -2.729 0.379 1.00 0.00 O ATOM 628 CB ILE A 45 -8.168 -0.634 -0.747 1.00 0.00 C ATOM 629 CG1 ILE A 45 -6.731 -0.189 -1.029 1.00 0.00 C ATOM 630 CG2 ILE A 45 -9.071 0.545 -0.378 1.00 0.00 C ATOM 631 CD1 ILE A 45 -6.701 0.968 -2.030 1.00 0.00 C ATOM 0 H ILE A 45 -7.816 -3.108 -1.179 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.577 -1.343 1.146 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.560 -1.063 -1.670 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.252 0.118 -0.099 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.157 -1.029 -1.421 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.026 1.298 -1.165 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -10.098 0.196 -0.268 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.733 0.982 0.562 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.668 1.265 -2.212 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -7.158 0.650 -2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.255 1.814 -1.624 1.00 0.00 H new ATOM 643 N SER A 46 -9.867 -1.261 2.022 1.00 0.00 N ATOM 644 CA SER A 46 -11.153 -1.386 2.687 1.00 0.00 C ATOM 645 C SER A 46 -11.954 -0.093 2.523 1.00 0.00 C ATOM 646 O SER A 46 -13.175 -0.129 2.377 1.00 0.00 O ATOM 647 CB SER A 46 -10.976 -1.716 4.170 1.00 0.00 C ATOM 648 OG SER A 46 -12.210 -1.661 4.881 1.00 0.00 O ATOM 0 H SER A 46 -9.216 -0.616 2.469 1.00 0.00 H new ATOM 0 HA SER A 46 -11.700 -2.207 2.223 1.00 0.00 H new ATOM 0 HB2 SER A 46 -10.544 -2.712 4.271 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.270 -1.015 4.615 1.00 0.00 H new ATOM 0 HG SER A 46 -12.054 -1.879 5.824 1.00 0.00 H new ATOM 654 N HIS A 47 -11.235 1.019 2.553 1.00 0.00 N ATOM 655 CA HIS A 47 -11.864 2.321 2.410 1.00 0.00 C ATOM 656 C HIS A 47 -10.829 3.341 1.931 1.00 0.00 C ATOM 657 O HIS A 47 -9.630 3.156 2.133 1.00 0.00 O ATOM 658 CB HIS A 47 -12.549 2.740 3.713 1.00 0.00 C ATOM 659 CG HIS A 47 -13.392 3.987 3.590 1.00 0.00 C ATOM 660 ND1 HIS A 47 -12.847 5.245 3.404 1.00 0.00 N ATOM 661 CD2 HIS A 47 -14.746 4.154 3.626 1.00 0.00 C ATOM 662 CE1 HIS A 47 -13.837 6.123 3.335 1.00 0.00 C ATOM 663 NE2 HIS A 47 -15.013 5.446 3.473 1.00 0.00 N ATOM 0 H HIS A 47 -10.223 1.045 2.674 1.00 0.00 H new ATOM 0 HA HIS A 47 -12.649 2.268 1.655 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -13.179 1.921 4.060 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.788 2.902 4.476 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -15.476 3.369 3.757 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.731 7.189 3.194 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -15.944 5.863 3.461 1.00 0.00 H new ATOM 671 N VAL A 48 -11.331 4.395 1.304 1.00 0.00 N ATOM 672 CA VAL A 48 -10.465 5.445 0.794 1.00 0.00 C ATOM 673 C VAL A 48 -11.218 6.776 0.812 1.00 0.00 C ATOM 674 O VAL A 48 -12.379 6.842 0.409 1.00 0.00 O ATOM 675 CB VAL A 48 -9.950 5.068 -0.597 1.00 0.00 C ATOM 676 CG1 VAL A 48 -11.022 4.325 -1.396 1.00 0.00 C ATOM 677 CG2 VAL A 48 -9.461 6.305 -1.354 1.00 0.00 C ATOM 0 H VAL A 48 -12.326 4.544 1.138 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.588 5.560 1.431 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.102 4.396 -0.469 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.630 4.069 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.302 3.413 -0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -11.899 4.963 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.100 6.010 -2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.283 7.012 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.651 6.776 -0.797 1.00 0.00 H new ATOM 730 N SER A 52 -7.662 11.290 -1.432 1.00 0.00 N ATOM 731 CA SER A 52 -6.441 10.769 -0.841 1.00 0.00 C ATOM 732 C SER A 52 -5.475 10.323 -1.941 1.00 0.00 C ATOM 733 O SER A 52 -5.762 10.484 -3.126 1.00 0.00 O ATOM 734 CB SER A 52 -6.740 9.604 0.106 1.00 0.00 C ATOM 735 OG SER A 52 -7.295 8.486 -0.582 1.00 0.00 O ATOM 0 HA SER A 52 -5.977 11.565 -0.259 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.822 9.301 0.609 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.433 9.934 0.880 1.00 0.00 H new ATOM 0 HG SER A 52 -6.686 7.722 -0.509 1.00 0.00 H new ATOM 741 N LEU A 53 -4.350 9.772 -1.509 1.00 0.00 N ATOM 742 CA LEU A 53 -3.341 9.303 -2.443 1.00 0.00 C ATOM 743 C LEU A 53 -3.934 8.193 -3.312 1.00 0.00 C ATOM 744 O LEU A 53 -3.372 7.845 -4.350 1.00 0.00 O ATOM 745 CB LEU A 53 -2.072 8.887 -1.695 1.00 0.00 C ATOM 746 CG LEU A 53 -0.902 9.871 -1.762 1.00 0.00 C ATOM 747 CD1 LEU A 53 -0.706 10.395 -3.186 1.00 0.00 C ATOM 748 CD2 LEU A 53 -1.083 11.007 -0.753 1.00 0.00 C ATOM 0 H LEU A 53 -4.115 9.640 -0.525 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.039 10.107 -3.114 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.327 8.727 -0.647 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.738 7.928 -2.091 1.00 0.00 H new ATOM 0 HG LEU A 53 0.008 9.338 -1.488 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.132 11.092 -3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.499 9.560 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.611 10.906 -3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.238 11.692 -0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.005 11.545 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.135 10.594 0.254 1.00 0.00 H new ATOM 760 N SER A 54 -5.061 7.667 -2.857 1.00 0.00 N ATOM 761 CA SER A 54 -5.736 6.603 -3.581 1.00 0.00 C ATOM 762 C SER A 54 -6.774 7.196 -4.535 1.00 0.00 C ATOM 763 O SER A 54 -6.904 6.748 -5.674 1.00 0.00 O ATOM 764 CB SER A 54 -6.403 5.618 -2.618 1.00 0.00 C ATOM 765 OG SER A 54 -6.608 6.189 -1.328 1.00 0.00 O ATOM 0 H SER A 54 -5.524 7.958 -1.996 1.00 0.00 H new ATOM 0 HA SER A 54 -4.990 6.057 -4.159 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.361 5.300 -3.030 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.784 4.726 -2.525 1.00 0.00 H new ATOM 0 HG SER A 54 -5.771 6.158 -0.820 1.00 0.00 H new ATOM 771 N ALA A 55 -7.488 8.195 -4.036 1.00 0.00 N ATOM 772 CA ALA A 55 -8.510 8.854 -4.831 1.00 0.00 C ATOM 773 C ALA A 55 -7.856 9.529 -6.038 1.00 0.00 C ATOM 774 O ALA A 55 -8.358 9.430 -7.156 1.00 0.00 O ATOM 775 CB ALA A 55 -9.278 9.846 -3.954 1.00 0.00 C ATOM 0 H ALA A 55 -7.379 8.564 -3.091 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.229 8.127 -5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.045 10.341 -4.550 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.748 9.313 -3.128 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -8.588 10.592 -3.559 1.00 0.00 H new ATOM 781 N GLU A 56 -6.745 10.200 -5.771 1.00 0.00 N ATOM 782 CA GLU A 56 -6.017 10.890 -6.821 1.00 0.00 C ATOM 783 C GLU A 56 -5.731 9.938 -7.984 1.00 0.00 C ATOM 784 O GLU A 56 -5.731 10.350 -9.143 1.00 0.00 O ATOM 785 CB GLU A 56 -4.722 11.500 -6.281 1.00 0.00 C ATOM 786 CG GLU A 56 -3.794 10.415 -5.729 1.00 0.00 C ATOM 787 CD GLU A 56 -2.358 10.930 -5.613 1.00 0.00 C ATOM 788 OE1 GLU A 56 -2.202 12.079 -5.147 1.00 0.00 O ATOM 789 OE2 GLU A 56 -1.448 10.161 -5.993 1.00 0.00 O ATOM 0 H GLU A 56 -6.332 10.280 -4.842 1.00 0.00 H new ATOM 0 HA GLU A 56 -6.638 11.706 -7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.215 12.048 -7.075 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.954 12.219 -5.496 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.148 10.091 -4.750 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.820 9.542 -6.382 1.00 0.00 H new ATOM 796 N VAL A 57 -5.495 8.682 -7.634 1.00 0.00 N ATOM 797 CA VAL A 57 -5.209 7.668 -8.634 1.00 0.00 C ATOM 798 C VAL A 57 -6.514 6.991 -9.056 1.00 0.00 C ATOM 799 O VAL A 57 -6.583 6.375 -10.119 1.00 0.00 O ATOM 800 CB VAL A 57 -4.170 6.681 -8.096 1.00 0.00 C ATOM 801 CG1 VAL A 57 -2.835 7.380 -7.831 1.00 0.00 C ATOM 802 CG2 VAL A 57 -4.682 5.979 -6.836 1.00 0.00 C ATOM 0 H VAL A 57 -5.496 8.344 -6.672 1.00 0.00 H new ATOM 0 HA VAL A 57 -4.776 8.122 -9.525 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.004 5.920 -8.859 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.115 6.656 -7.449 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.459 7.811 -8.759 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.978 8.171 -7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -3.925 5.283 -6.474 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.891 6.721 -6.065 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -5.595 5.432 -7.070 1.00 0.00 H new ATOM 812 N GLY A 58 -7.518 7.128 -8.202 1.00 0.00 N ATOM 813 CA GLY A 58 -8.817 6.537 -8.473 1.00 0.00 C ATOM 814 C GLY A 58 -8.920 5.137 -7.865 1.00 0.00 C ATOM 815 O GLY A 58 -9.687 4.303 -8.345 1.00 0.00 O ATOM 0 H GLY A 58 -7.458 7.640 -7.322 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.602 7.173 -8.065 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -8.978 6.483 -9.550 1.00 0.00 H new ATOM 819 N LEU A 59 -8.137 4.921 -6.819 1.00 0.00 N ATOM 820 CA LEU A 59 -8.131 3.636 -6.141 1.00 0.00 C ATOM 821 C LEU A 59 -9.487 3.412 -5.468 1.00 0.00 C ATOM 822 O LEU A 59 -10.048 4.331 -4.875 1.00 0.00 O ATOM 823 CB LEU A 59 -6.945 3.543 -5.179 1.00 0.00 C ATOM 824 CG LEU A 59 -5.637 3.018 -5.775 1.00 0.00 C ATOM 825 CD1 LEU A 59 -4.488 3.144 -4.774 1.00 0.00 C ATOM 826 CD2 LEU A 59 -5.803 1.583 -6.279 1.00 0.00 C ATOM 0 H LEU A 59 -7.502 5.614 -6.424 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.994 2.828 -6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.760 4.534 -4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.227 2.897 -4.347 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.382 3.635 -6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.571 2.764 -5.223 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.353 4.192 -4.505 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.720 2.567 -3.879 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.859 1.233 -6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -6.094 0.938 -5.450 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.574 1.555 -7.049 1.00 0.00 H new ATOM 838 N GLU A 60 -9.974 2.185 -5.584 1.00 0.00 N ATOM 839 CA GLU A 60 -11.253 1.829 -4.995 1.00 0.00 C ATOM 840 C GLU A 60 -11.107 0.580 -4.123 1.00 0.00 C ATOM 841 O GLU A 60 -10.076 -0.090 -4.160 1.00 0.00 O ATOM 842 CB GLU A 60 -12.316 1.622 -6.075 1.00 0.00 C ATOM 843 CG GLU A 60 -12.287 2.760 -7.098 1.00 0.00 C ATOM 844 CD GLU A 60 -13.284 2.505 -8.230 1.00 0.00 C ATOM 845 OE1 GLU A 60 -12.966 1.650 -9.085 1.00 0.00 O ATOM 846 OE2 GLU A 60 -14.342 3.171 -8.215 1.00 0.00 O ATOM 0 H GLU A 60 -9.505 1.425 -6.077 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.581 2.654 -4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.147 0.671 -6.579 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.302 1.568 -5.614 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -12.524 3.703 -6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.282 2.859 -7.509 1.00 0.00 H new ATOM 853 N ILE A 61 -12.154 0.304 -3.359 1.00 0.00 N ATOM 854 CA ILE A 61 -12.155 -0.852 -2.480 1.00 0.00 C ATOM 855 C ILE A 61 -12.030 -2.126 -3.319 1.00 0.00 C ATOM 856 O ILE A 61 -12.644 -2.237 -4.380 1.00 0.00 O ATOM 857 CB ILE A 61 -13.385 -0.833 -1.570 1.00 0.00 C ATOM 858 CG1 ILE A 61 -13.385 0.408 -0.675 1.00 0.00 C ATOM 859 CG2 ILE A 61 -13.486 -2.126 -0.758 1.00 0.00 C ATOM 860 CD1 ILE A 61 -14.813 0.822 -0.314 1.00 0.00 C ATOM 0 H ILE A 61 -13.008 0.862 -3.331 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.293 -0.823 -1.813 1.00 0.00 H new ATOM 0 HB ILE A 61 -14.274 -0.777 -2.198 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -12.820 0.205 0.235 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -12.882 1.229 -1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -14.369 -2.087 -0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -13.566 -2.976 -1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -12.595 -2.238 -0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -14.786 1.706 0.323 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -15.368 1.048 -1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -15.305 0.007 0.218 1.00 0.00 H new ATOM 872 N GLY A 62 -11.233 -3.054 -2.813 1.00 0.00 N ATOM 873 CA GLY A 62 -11.020 -4.315 -3.503 1.00 0.00 C ATOM 874 C GLY A 62 -9.628 -4.367 -4.136 1.00 0.00 C ATOM 875 O GLY A 62 -9.016 -5.431 -4.212 1.00 0.00 O ATOM 0 H GLY A 62 -10.726 -2.959 -1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -11.135 -5.141 -2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.779 -4.444 -4.275 1.00 0.00 H new ATOM 879 N ASP A 63 -9.169 -3.204 -4.573 1.00 0.00 N ATOM 880 CA ASP A 63 -7.860 -3.103 -5.197 1.00 0.00 C ATOM 881 C ASP A 63 -6.823 -3.795 -4.310 1.00 0.00 C ATOM 882 O ASP A 63 -6.323 -3.202 -3.355 1.00 0.00 O ATOM 883 CB ASP A 63 -7.440 -1.641 -5.362 1.00 0.00 C ATOM 884 CG ASP A 63 -8.357 -0.802 -6.256 1.00 0.00 C ATOM 885 OD1 ASP A 63 -9.218 -1.417 -6.920 1.00 0.00 O ATOM 886 OD2 ASP A 63 -8.174 0.435 -6.253 1.00 0.00 O ATOM 0 H ASP A 63 -9.680 -2.323 -4.508 1.00 0.00 H new ATOM 0 HA ASP A 63 -7.916 -3.575 -6.178 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.395 -1.178 -4.376 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.431 -1.613 -5.773 1.00 0.00 H new ATOM 891 N GLN A 64 -6.530 -5.039 -4.658 1.00 0.00 N ATOM 892 CA GLN A 64 -5.561 -5.818 -3.906 1.00 0.00 C ATOM 893 C GLN A 64 -4.141 -5.490 -4.370 1.00 0.00 C ATOM 894 O GLN A 64 -3.843 -5.552 -5.562 1.00 0.00 O ATOM 895 CB GLN A 64 -5.846 -7.316 -4.031 1.00 0.00 C ATOM 896 CG GLN A 64 -4.758 -8.141 -3.341 1.00 0.00 C ATOM 897 CD GLN A 64 -4.926 -9.632 -3.642 1.00 0.00 C ATOM 898 OE1 GLN A 64 -5.749 -10.040 -4.444 1.00 0.00 O ATOM 899 NE2 GLN A 64 -4.102 -10.418 -2.956 1.00 0.00 N ATOM 0 H GLN A 64 -6.947 -5.527 -5.451 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.649 -5.551 -2.853 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.816 -7.543 -3.588 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.904 -7.592 -5.084 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.776 -7.807 -3.676 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.800 -7.977 -2.264 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.436 -10.010 -2.300 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.135 -11.429 -3.086 1.00 0.00 H new ATOM 908 N ILE A 65 -3.301 -5.147 -3.403 1.00 0.00 N ATOM 909 CA ILE A 65 -1.919 -4.809 -3.698 1.00 0.00 C ATOM 910 C ILE A 65 -1.108 -6.096 -3.867 1.00 0.00 C ATOM 911 O ILE A 65 -0.855 -6.806 -2.895 1.00 0.00 O ATOM 912 CB ILE A 65 -1.359 -3.866 -2.631 1.00 0.00 C ATOM 913 CG1 ILE A 65 -2.255 -2.637 -2.462 1.00 0.00 C ATOM 914 CG2 ILE A 65 0.088 -3.481 -2.945 1.00 0.00 C ATOM 915 CD1 ILE A 65 -2.123 -2.052 -1.054 1.00 0.00 C ATOM 0 H ILE A 65 -3.551 -5.096 -2.415 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.853 -4.264 -4.640 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.352 -4.394 -1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.986 -1.882 -3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.293 -2.911 -2.650 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.462 -2.810 -2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.705 -4.379 -2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.129 -2.979 -3.912 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.770 -1.180 -0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.416 -2.802 -0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.089 -1.757 -0.878 1.00 0.00 H new ATOM 927 N VAL A 66 -0.724 -6.357 -5.108 1.00 0.00 N ATOM 928 CA VAL A 66 0.052 -7.545 -5.417 1.00 0.00 C ATOM 929 C VAL A 66 1.534 -7.173 -5.503 1.00 0.00 C ATOM 930 O VAL A 66 2.403 -8.015 -5.282 1.00 0.00 O ATOM 931 CB VAL A 66 -0.476 -8.197 -6.696 1.00 0.00 C ATOM 932 CG1 VAL A 66 -2.003 -8.290 -6.674 1.00 0.00 C ATOM 933 CG2 VAL A 66 0.011 -7.445 -7.936 1.00 0.00 C ATOM 0 H VAL A 66 -0.936 -5.765 -5.911 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.052 -8.286 -4.624 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.080 -9.211 -6.743 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.352 -8.757 -7.595 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.319 -8.890 -5.820 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.427 -7.289 -6.591 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.379 -7.929 -8.831 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.341 -6.414 -7.898 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.101 -7.455 -7.963 1.00 0.00 H new ATOM 943 N GLU A 67 1.776 -5.911 -5.825 1.00 0.00 N ATOM 944 CA GLU A 67 3.138 -5.417 -5.943 1.00 0.00 C ATOM 945 C GLU A 67 3.218 -3.963 -5.471 1.00 0.00 C ATOM 946 O GLU A 67 2.231 -3.231 -5.533 1.00 0.00 O ATOM 947 CB GLU A 67 3.649 -5.556 -7.378 1.00 0.00 C ATOM 948 CG GLU A 67 4.987 -4.837 -7.556 1.00 0.00 C ATOM 949 CD GLU A 67 5.439 -4.871 -9.018 1.00 0.00 C ATOM 950 OE1 GLU A 67 5.864 -5.962 -9.455 1.00 0.00 O ATOM 951 OE2 GLU A 67 5.348 -3.806 -9.665 1.00 0.00 O ATOM 0 H GLU A 67 1.053 -5.216 -6.008 1.00 0.00 H new ATOM 0 HA GLU A 67 3.780 -6.022 -5.303 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.763 -6.611 -7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.915 -5.143 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.895 -3.803 -7.224 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.743 -5.307 -6.927 1.00 0.00 H new ATOM 958 N VAL A 68 4.402 -3.589 -5.009 1.00 0.00 N ATOM 959 CA VAL A 68 4.624 -2.237 -4.527 1.00 0.00 C ATOM 960 C VAL A 68 6.099 -1.872 -4.704 1.00 0.00 C ATOM 961 O VAL A 68 6.966 -2.441 -4.043 1.00 0.00 O ATOM 962 CB VAL A 68 4.147 -2.113 -3.078 1.00 0.00 C ATOM 963 CG1 VAL A 68 4.430 -0.715 -2.525 1.00 0.00 C ATOM 964 CG2 VAL A 68 2.662 -2.460 -2.958 1.00 0.00 C ATOM 0 H VAL A 68 5.218 -4.199 -4.958 1.00 0.00 H new ATOM 0 HA VAL A 68 4.041 -1.524 -5.109 1.00 0.00 H new ATOM 0 HB VAL A 68 4.708 -2.830 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.081 -0.654 -1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.502 -0.521 -2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.909 0.028 -3.129 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.349 -2.364 -1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 68 2.078 -1.779 -3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.500 -3.485 -3.293 1.00 0.00 H new ATOM 974 N ASN A 69 6.339 -0.926 -5.599 1.00 0.00 N ATOM 975 CA ASN A 69 7.694 -0.479 -5.872 1.00 0.00 C ATOM 976 C ASN A 69 8.568 -1.689 -6.209 1.00 0.00 C ATOM 977 O ASN A 69 9.782 -1.654 -6.018 1.00 0.00 O ATOM 978 CB ASN A 69 8.300 0.217 -4.651 1.00 0.00 C ATOM 979 CG ASN A 69 8.746 1.639 -4.995 1.00 0.00 C ATOM 980 OD1 ASN A 69 8.687 2.078 -6.132 1.00 0.00 O ATOM 981 ND2 ASN A 69 9.194 2.333 -3.953 1.00 0.00 N ATOM 0 H ASN A 69 5.617 -0.456 -6.145 1.00 0.00 H new ATOM 0 HA ASN A 69 7.657 0.222 -6.706 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.567 0.247 -3.844 1.00 0.00 H new ATOM 0 HB3 ASN A 69 9.152 -0.357 -4.287 1.00 0.00 H new ATOM 0 HD21 ASN A 69 9.515 3.293 -4.079 1.00 0.00 H new ATOM 0 HD22 ASN A 69 9.217 1.905 -3.027 1.00 0.00 H new ATOM 988 N GLY A 70 7.915 -2.730 -6.705 1.00 0.00 N ATOM 989 CA GLY A 70 8.617 -3.948 -7.070 1.00 0.00 C ATOM 990 C GLY A 70 8.711 -4.905 -5.880 1.00 0.00 C ATOM 991 O GLY A 70 9.539 -5.814 -5.874 1.00 0.00 O ATOM 0 H GLY A 70 6.908 -2.755 -6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 70 8.099 -4.437 -7.895 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.618 -3.703 -7.424 1.00 0.00 H new ATOM 995 N VAL A 71 7.850 -4.667 -4.901 1.00 0.00 N ATOM 996 CA VAL A 71 7.826 -5.497 -3.708 1.00 0.00 C ATOM 997 C VAL A 71 6.682 -6.507 -3.818 1.00 0.00 C ATOM 998 O VAL A 71 5.553 -6.139 -4.143 1.00 0.00 O ATOM 999 CB VAL A 71 7.728 -4.616 -2.461 1.00 0.00 C ATOM 1000 CG1 VAL A 71 7.687 -5.468 -1.191 1.00 0.00 C ATOM 1001 CG2 VAL A 71 8.878 -3.609 -2.409 1.00 0.00 C ATOM 0 H VAL A 71 7.164 -3.912 -4.909 1.00 0.00 H new ATOM 0 HA VAL A 71 8.752 -6.064 -3.618 1.00 0.00 H new ATOM 0 HB VAL A 71 6.795 -4.055 -2.519 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.617 -4.818 -0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.819 -6.127 -1.223 1.00 0.00 H new ATOM 0 HG13 VAL A 71 8.595 -6.067 -1.125 1.00 0.00 H new ATOM 0 HG21 VAL A 71 8.784 -2.996 -1.513 1.00 0.00 H new ATOM 0 HG22 VAL A 71 9.828 -4.143 -2.386 1.00 0.00 H new ATOM 0 HG23 VAL A 71 8.842 -2.970 -3.291 1.00 0.00 H new ATOM 1011 N ASP A 72 7.012 -7.759 -3.541 1.00 0.00 N ATOM 1012 CA ASP A 72 6.027 -8.825 -3.605 1.00 0.00 C ATOM 1013 C ASP A 72 5.008 -8.640 -2.478 1.00 0.00 C ATOM 1014 O ASP A 72 5.146 -9.232 -1.409 1.00 0.00 O ATOM 1015 CB ASP A 72 6.684 -10.195 -3.427 1.00 0.00 C ATOM 1016 CG ASP A 72 6.041 -11.330 -4.226 1.00 0.00 C ATOM 1017 OD1 ASP A 72 4.795 -11.425 -4.175 1.00 0.00 O ATOM 1018 OD2 ASP A 72 6.808 -12.077 -4.870 1.00 0.00 O ATOM 0 H ASP A 72 7.949 -8.060 -3.271 1.00 0.00 H new ATOM 0 HA ASP A 72 5.546 -8.780 -4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.733 -10.118 -3.714 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.661 -10.457 -2.369 1.00 0.00 H new ATOM 1023 N PHE A 73 4.009 -7.816 -2.756 1.00 0.00 N ATOM 1024 CA PHE A 73 2.968 -7.545 -1.779 1.00 0.00 C ATOM 1025 C PHE A 73 1.837 -8.571 -1.885 1.00 0.00 C ATOM 1026 O PHE A 73 0.733 -8.335 -1.397 1.00 0.00 O ATOM 1027 CB PHE A 73 2.411 -6.155 -2.093 1.00 0.00 C ATOM 1028 CG PHE A 73 2.986 -5.042 -1.215 1.00 0.00 C ATOM 1029 CD1 PHE A 73 4.327 -4.821 -1.189 1.00 0.00 C ATOM 1030 CD2 PHE A 73 2.155 -4.273 -0.461 1.00 0.00 C ATOM 1031 CE1 PHE A 73 4.861 -3.788 -0.374 1.00 0.00 C ATOM 1032 CE2 PHE A 73 2.688 -3.239 0.353 1.00 0.00 C ATOM 1033 CZ PHE A 73 4.030 -3.019 0.379 1.00 0.00 C ATOM 0 H PHE A 73 3.898 -7.327 -3.644 1.00 0.00 H new ATOM 0 HA PHE A 73 3.379 -7.600 -0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.614 -5.921 -3.138 1.00 0.00 H new ATOM 0 HB3 PHE A 73 1.328 -6.174 -1.975 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.986 -5.431 -1.788 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.090 -4.449 -0.482 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.927 -3.613 -0.352 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.028 -2.628 0.951 1.00 0.00 H new ATOM 0 HZ PHE A 73 4.436 -2.233 0.998 1.00 0.00 H new ATOM 1043 N SER A 74 2.152 -9.688 -2.525 1.00 0.00 N ATOM 1044 CA SER A 74 1.177 -10.750 -2.701 1.00 0.00 C ATOM 1045 C SER A 74 0.975 -11.498 -1.381 1.00 0.00 C ATOM 1046 O SER A 74 -0.149 -11.614 -0.895 1.00 0.00 O ATOM 1047 CB SER A 74 1.611 -11.721 -3.800 1.00 0.00 C ATOM 1048 OG SER A 74 0.515 -12.132 -4.613 1.00 0.00 O ATOM 0 H SER A 74 3.069 -9.880 -2.928 1.00 0.00 H new ATOM 0 HA SER A 74 0.232 -10.300 -3.005 1.00 0.00 H new ATOM 0 HB2 SER A 74 2.368 -11.247 -4.425 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.075 -12.597 -3.347 1.00 0.00 H new ATOM 0 HG SER A 74 0.834 -12.750 -5.304 1.00 0.00 H new ATOM 1054 N ASN A 75 2.081 -11.986 -0.839 1.00 0.00 N ATOM 1055 CA ASN A 75 2.039 -12.720 0.414 1.00 0.00 C ATOM 1056 C ASN A 75 2.746 -11.907 1.500 1.00 0.00 C ATOM 1057 O ASN A 75 3.593 -12.431 2.221 1.00 0.00 O ATOM 1058 CB ASN A 75 2.757 -14.065 0.289 1.00 0.00 C ATOM 1059 CG ASN A 75 2.057 -14.968 -0.729 1.00 0.00 C ATOM 1060 OD1 ASN A 75 0.848 -15.135 -0.722 1.00 0.00 O ATOM 1061 ND2 ASN A 75 2.881 -15.539 -1.603 1.00 0.00 N ATOM 0 H ASN A 75 3.012 -11.887 -1.245 1.00 0.00 H new ATOM 0 HA ASN A 75 0.993 -12.891 0.669 1.00 0.00 H new ATOM 0 HB2 ASN A 75 3.791 -13.902 -0.014 1.00 0.00 H new ATOM 0 HB3 ASN A 75 2.784 -14.559 1.260 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.511 -16.159 -2.323 1.00 0.00 H new ATOM 0 HD22 ASN A 75 3.883 -15.357 -1.553 1.00 0.00 H new ATOM 1068 N LEU A 76 2.371 -10.639 1.583 1.00 0.00 N ATOM 1069 CA LEU A 76 2.958 -9.747 2.569 1.00 0.00 C ATOM 1070 C LEU A 76 2.129 -9.798 3.854 1.00 0.00 C ATOM 1071 O LEU A 76 1.299 -10.689 4.026 1.00 0.00 O ATOM 1072 CB LEU A 76 3.114 -8.339 1.992 1.00 0.00 C ATOM 1073 CG LEU A 76 4.520 -7.956 1.526 1.00 0.00 C ATOM 1074 CD1 LEU A 76 4.582 -6.482 1.122 1.00 0.00 C ATOM 1075 CD2 LEU A 76 5.564 -8.304 2.589 1.00 0.00 C ATOM 0 H LEU A 76 1.668 -10.208 0.983 1.00 0.00 H new ATOM 0 HA LEU A 76 3.966 -10.074 2.827 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.433 -8.237 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.795 -7.621 2.748 1.00 0.00 H new ATOM 0 HG LEU A 76 4.757 -8.543 0.638 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.592 -6.237 0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.882 -6.298 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 76 4.316 -5.859 1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.555 -8.021 2.232 1.00 0.00 H new ATOM 0 HD22 LEU A 76 5.341 -7.763 3.509 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.541 -9.376 2.784 1.00 0.00 H new ATOM 1087 N ASP A 77 2.384 -8.831 4.723 1.00 0.00 N ATOM 1088 CA ASP A 77 1.671 -8.754 5.987 1.00 0.00 C ATOM 1089 C ASP A 77 1.173 -7.323 6.200 1.00 0.00 C ATOM 1090 O ASP A 77 1.560 -6.412 5.470 1.00 0.00 O ATOM 1091 CB ASP A 77 2.587 -9.115 7.158 1.00 0.00 C ATOM 1092 CG ASP A 77 1.935 -9.029 8.539 1.00 0.00 C ATOM 1093 OD1 ASP A 77 1.238 -10.002 8.899 1.00 0.00 O ATOM 1094 OD2 ASP A 77 2.147 -7.992 9.203 1.00 0.00 O ATOM 0 H ASP A 77 3.074 -8.094 4.577 1.00 0.00 H new ATOM 0 HA ASP A 77 0.839 -9.458 5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.958 -10.129 7.010 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.453 -8.453 7.140 1.00 0.00 H new ATOM 1099 N HIS A 78 0.321 -7.171 7.203 1.00 0.00 N ATOM 1100 CA HIS A 78 -0.234 -5.866 7.522 1.00 0.00 C ATOM 1101 C HIS A 78 0.852 -4.982 8.137 1.00 0.00 C ATOM 1102 O HIS A 78 0.631 -3.796 8.375 1.00 0.00 O ATOM 1103 CB HIS A 78 -1.465 -6.005 8.420 1.00 0.00 C ATOM 1104 CG HIS A 78 -2.166 -4.698 8.707 1.00 0.00 C ATOM 1105 ND1 HIS A 78 -1.693 -3.779 9.627 1.00 0.00 N ATOM 1106 CD2 HIS A 78 -3.309 -4.167 8.184 1.00 0.00 C ATOM 1107 CE1 HIS A 78 -2.521 -2.746 9.650 1.00 0.00 C ATOM 1108 NE2 HIS A 78 -3.522 -2.988 8.756 1.00 0.00 N ATOM 0 H HIS A 78 0.001 -7.929 7.805 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.575 -5.379 6.609 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -2.171 -6.688 7.948 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -1.164 -6.459 9.364 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -0.850 -3.880 10.192 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -3.934 -4.627 7.433 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.421 -1.866 10.268 1.00 0.00 H new ATOM 1116 N LYS A 79 2.003 -5.594 8.377 1.00 0.00 N ATOM 1117 CA LYS A 79 3.124 -4.877 8.960 1.00 0.00 C ATOM 1118 C LYS A 79 4.218 -4.704 7.904 1.00 0.00 C ATOM 1119 O LYS A 79 4.887 -3.673 7.862 1.00 0.00 O ATOM 1120 CB LYS A 79 3.604 -5.578 10.233 1.00 0.00 C ATOM 1121 CG LYS A 79 2.501 -5.605 11.293 1.00 0.00 C ATOM 1122 CD LYS A 79 2.920 -4.827 12.542 1.00 0.00 C ATOM 1123 CE LYS A 79 2.418 -5.515 13.812 1.00 0.00 C ATOM 1124 NZ LYS A 79 2.897 -4.798 15.015 1.00 0.00 N ATOM 0 H LYS A 79 2.183 -6.578 8.178 1.00 0.00 H new ATOM 0 HA LYS A 79 2.818 -3.878 9.269 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.912 -6.597 9.997 1.00 0.00 H new ATOM 0 HB3 LYS A 79 4.480 -5.063 10.628 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.587 -5.176 10.883 1.00 0.00 H new ATOM 0 HG3 LYS A 79 2.276 -6.637 11.562 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.006 -4.743 12.575 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.523 -3.813 12.493 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.328 -5.545 13.810 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.766 -6.548 13.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.547 -5.279 15.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.937 -4.791 15.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.544 -3.820 15.000 1.00 0.00 H new ATOM 1138 N GLU A 80 4.365 -5.728 7.077 1.00 0.00 N ATOM 1139 CA GLU A 80 5.366 -5.702 6.024 1.00 0.00 C ATOM 1140 C GLU A 80 4.891 -4.827 4.863 1.00 0.00 C ATOM 1141 O GLU A 80 5.688 -4.123 4.245 1.00 0.00 O ATOM 1142 CB GLU A 80 5.695 -7.117 5.546 1.00 0.00 C ATOM 1143 CG GLU A 80 6.285 -7.957 6.680 1.00 0.00 C ATOM 1144 CD GLU A 80 7.809 -8.035 6.569 1.00 0.00 C ATOM 1145 OE1 GLU A 80 8.422 -6.959 6.399 1.00 0.00 O ATOM 1146 OE2 GLU A 80 8.327 -9.170 6.656 1.00 0.00 O ATOM 0 H GLU A 80 3.808 -6.581 7.115 1.00 0.00 H new ATOM 0 HA GLU A 80 6.281 -5.269 6.429 1.00 0.00 H new ATOM 0 HB2 GLU A 80 4.792 -7.595 5.167 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.402 -7.069 4.718 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.009 -7.523 7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 80 5.863 -8.961 6.651 1.00 0.00 H new ATOM 1153 N ALA A 81 3.594 -4.900 4.600 1.00 0.00 N ATOM 1154 CA ALA A 81 3.004 -4.123 3.524 1.00 0.00 C ATOM 1155 C ALA A 81 2.980 -2.645 3.920 1.00 0.00 C ATOM 1156 O ALA A 81 3.156 -1.769 3.075 1.00 0.00 O ATOM 1157 CB ALA A 81 1.608 -4.664 3.209 1.00 0.00 C ATOM 0 H ALA A 81 2.936 -5.486 5.114 1.00 0.00 H new ATOM 0 HA ALA A 81 3.601 -4.211 2.616 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.165 -4.081 2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.683 -5.708 2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.980 -4.589 4.097 1.00 0.00 H new ATOM 1163 N VAL A 82 2.761 -2.414 5.207 1.00 0.00 N ATOM 1164 CA VAL A 82 2.712 -1.058 5.726 1.00 0.00 C ATOM 1165 C VAL A 82 4.138 -0.532 5.902 1.00 0.00 C ATOM 1166 O VAL A 82 4.402 0.647 5.672 1.00 0.00 O ATOM 1167 CB VAL A 82 1.897 -1.022 7.020 1.00 0.00 C ATOM 1168 CG1 VAL A 82 2.096 0.304 7.757 1.00 0.00 C ATOM 1169 CG2 VAL A 82 0.414 -1.277 6.741 1.00 0.00 C ATOM 0 H VAL A 82 2.616 -3.143 5.905 1.00 0.00 H new ATOM 0 HA VAL A 82 2.207 -0.397 5.021 1.00 0.00 H new ATOM 0 HB VAL A 82 2.259 -1.822 7.666 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.506 0.303 8.673 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.150 0.428 8.005 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.774 1.127 7.119 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.143 -1.246 7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.033 -0.510 6.067 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.294 -2.257 6.280 1.00 0.00 H new ATOM 1179 N ASN A 83 5.020 -1.433 6.310 1.00 0.00 N ATOM 1180 CA ASN A 83 6.413 -1.075 6.520 1.00 0.00 C ATOM 1181 C ASN A 83 7.027 -0.633 5.191 1.00 0.00 C ATOM 1182 O ASN A 83 7.701 0.394 5.126 1.00 0.00 O ATOM 1183 CB ASN A 83 7.216 -2.269 7.039 1.00 0.00 C ATOM 1184 CG ASN A 83 8.695 -1.910 7.192 1.00 0.00 C ATOM 1185 OD1 ASN A 83 9.394 -2.001 6.064 1.00 0.00 O flip ATOM 1186 ND2 ASN A 83 9.171 -1.572 8.264 1.00 0.00 N flip ATOM 0 H ASN A 83 4.797 -2.410 6.501 1.00 0.00 H new ATOM 0 HA ASN A 83 6.448 -0.271 7.255 1.00 0.00 H new ATOM 0 HB2 ASN A 83 6.815 -2.591 8.000 1.00 0.00 H new ATOM 0 HB3 ASN A 83 7.111 -3.109 6.352 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.578 -1.523 9.092 1.00 0.00 H new ATOM 0 HD22 ASN A 83 10.162 -1.339 8.331 1.00 0.00 H new ATOM 1193 N VAL A 84 6.773 -1.430 4.163 1.00 0.00 N ATOM 1194 CA VAL A 84 7.293 -1.133 2.839 1.00 0.00 C ATOM 1195 C VAL A 84 6.572 0.092 2.276 1.00 0.00 C ATOM 1196 O VAL A 84 7.163 0.881 1.540 1.00 0.00 O ATOM 1197 CB VAL A 84 7.170 -2.366 1.941 1.00 0.00 C ATOM 1198 CG1 VAL A 84 7.539 -2.029 0.495 1.00 0.00 C ATOM 1199 CG2 VAL A 84 8.025 -3.518 2.471 1.00 0.00 C ATOM 0 H VAL A 84 6.214 -2.281 4.220 1.00 0.00 H new ATOM 0 HA VAL A 84 8.354 -0.889 2.890 1.00 0.00 H new ATOM 0 HB VAL A 84 6.129 -2.688 1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.443 -2.922 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.870 -1.255 0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.567 -1.669 0.456 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.919 -4.382 1.814 1.00 0.00 H new ATOM 0 HG22 VAL A 84 9.070 -3.211 2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.695 -3.783 3.476 1.00 0.00 H new ATOM 1209 N LEU A 85 5.304 0.214 2.642 1.00 0.00 N ATOM 1210 CA LEU A 85 4.496 1.331 2.182 1.00 0.00 C ATOM 1211 C LEU A 85 4.932 2.604 2.910 1.00 0.00 C ATOM 1212 O LEU A 85 4.947 3.684 2.322 1.00 0.00 O ATOM 1213 CB LEU A 85 3.007 1.013 2.336 1.00 0.00 C ATOM 1214 CG LEU A 85 2.356 0.272 1.167 1.00 0.00 C ATOM 1215 CD1 LEU A 85 0.914 -0.119 1.500 1.00 0.00 C ATOM 1216 CD2 LEU A 85 2.443 1.093 -0.121 1.00 0.00 C ATOM 0 H LEU A 85 4.816 -0.442 3.252 1.00 0.00 H new ATOM 0 HA LEU A 85 4.653 1.503 1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.875 0.416 3.238 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.470 1.949 2.492 1.00 0.00 H new ATOM 0 HG LEU A 85 2.910 -0.651 0.998 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.474 -0.644 0.652 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.906 -0.770 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.333 0.779 1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.973 0.543 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.929 2.044 0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.489 1.278 -0.365 1.00 0.00 H new ATOM 1228 N LYS A 86 5.275 2.435 4.178 1.00 0.00 N ATOM 1229 CA LYS A 86 5.710 3.557 4.992 1.00 0.00 C ATOM 1230 C LYS A 86 7.229 3.705 4.880 1.00 0.00 C ATOM 1231 O LYS A 86 7.809 4.630 5.445 1.00 0.00 O ATOM 1232 CB LYS A 86 5.212 3.401 6.430 1.00 0.00 C ATOM 1233 CG LYS A 86 6.259 2.703 7.301 1.00 0.00 C ATOM 1234 CD LYS A 86 5.769 2.565 8.744 1.00 0.00 C ATOM 1235 CE LYS A 86 4.580 1.607 8.829 1.00 0.00 C ATOM 1236 NZ LYS A 86 4.327 1.219 10.235 1.00 0.00 N ATOM 0 H LYS A 86 5.261 1.537 4.662 1.00 0.00 H new ATOM 0 HA LYS A 86 5.271 4.485 4.626 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.982 4.381 6.847 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.286 2.826 6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.478 1.717 6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.190 3.270 7.282 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.580 2.200 9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 86 5.481 3.543 9.129 1.00 0.00 H new ATOM 0 HE2 LYS A 86 3.692 2.082 8.411 1.00 0.00 H new ATOM 0 HE3 LYS A 86 4.778 0.718 8.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.517 0.568 10.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 5.169 0.747 10.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.117 2.068 10.797 1.00 0.00 H new ATOM 1250 N SER A 87 7.829 2.778 4.147 1.00 0.00 N ATOM 1251 CA SER A 87 9.269 2.794 3.954 1.00 0.00 C ATOM 1252 C SER A 87 9.694 4.108 3.297 1.00 0.00 C ATOM 1253 O SER A 87 10.477 4.867 3.868 1.00 0.00 O ATOM 1254 CB SER A 87 9.723 1.605 3.105 1.00 0.00 C ATOM 1255 OG SER A 87 11.135 1.596 2.912 1.00 0.00 O ATOM 0 H SER A 87 7.344 2.012 3.680 1.00 0.00 H new ATOM 0 HA SER A 87 9.746 2.713 4.930 1.00 0.00 H new ATOM 0 HB2 SER A 87 9.417 0.677 3.588 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.225 1.640 2.136 1.00 0.00 H new ATOM 0 HG SER A 87 11.386 0.821 2.367 1.00 0.00 H new ATOM 1261 N SER A 88 9.160 4.338 2.106 1.00 0.00 N ATOM 1262 CA SER A 88 9.475 5.548 1.366 1.00 0.00 C ATOM 1263 C SER A 88 8.198 6.348 1.104 1.00 0.00 C ATOM 1264 O SER A 88 7.121 5.974 1.566 1.00 0.00 O ATOM 1265 CB SER A 88 10.176 5.219 0.046 1.00 0.00 C ATOM 1266 OG SER A 88 11.136 6.210 -0.310 1.00 0.00 O ATOM 0 H SER A 88 8.511 3.707 1.635 1.00 0.00 H new ATOM 0 HA SER A 88 10.156 6.150 1.968 1.00 0.00 H new ATOM 0 HB2 SER A 88 10.669 4.250 0.129 1.00 0.00 H new ATOM 0 HB3 SER A 88 9.433 5.132 -0.747 1.00 0.00 H new ATOM 0 HG SER A 88 11.563 5.963 -1.157 1.00 0.00 H new ATOM 1272 N ARG A 89 8.360 7.435 0.363 1.00 0.00 N ATOM 1273 CA ARG A 89 7.233 8.291 0.034 1.00 0.00 C ATOM 1274 C ARG A 89 6.610 7.861 -1.295 1.00 0.00 C ATOM 1275 O ARG A 89 5.414 7.585 -1.363 1.00 0.00 O ATOM 1276 CB ARG A 89 7.665 9.756 -0.063 1.00 0.00 C ATOM 1277 CG ARG A 89 8.430 10.186 1.190 1.00 0.00 C ATOM 1278 CD ARG A 89 7.488 10.325 2.388 1.00 0.00 C ATOM 1279 NE ARG A 89 8.239 10.128 3.648 1.00 0.00 N ATOM 1280 CZ ARG A 89 7.666 9.884 4.834 1.00 0.00 C ATOM 1281 NH1 ARG A 89 6.332 9.805 4.930 1.00 0.00 N ATOM 1282 NH2 ARG A 89 8.427 9.719 5.925 1.00 0.00 N ATOM 0 H ARG A 89 9.255 7.742 -0.019 1.00 0.00 H new ATOM 0 HA ARG A 89 6.497 8.193 0.832 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.293 9.896 -0.943 1.00 0.00 H new ATOM 0 HB3 ARG A 89 6.788 10.390 -0.193 1.00 0.00 H new ATOM 0 HG2 ARG A 89 9.205 9.454 1.416 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.932 11.136 1.006 1.00 0.00 H new ATOM 0 HD2 ARG A 89 7.023 11.311 2.383 1.00 0.00 H new ATOM 0 HD3 ARG A 89 6.684 9.593 2.316 1.00 0.00 H new ATOM 0 HE ARG A 89 9.257 10.181 3.611 1.00 0.00 H new ATOM 0 HH11 ARG A 89 5.753 9.931 4.100 1.00 0.00 H new ATOM 0 HH12 ARG A 89 5.896 9.619 5.833 1.00 0.00 H new ATOM 0 HH21 ARG A 89 9.443 9.779 5.852 1.00 0.00 H new ATOM 0 HH22 ARG A 89 7.990 9.533 6.828 1.00 0.00 H new ATOM 1296 N SER A 90 7.450 7.818 -2.319 1.00 0.00 N ATOM 1297 CA SER A 90 6.996 7.426 -3.643 1.00 0.00 C ATOM 1298 C SER A 90 7.147 5.914 -3.822 1.00 0.00 C ATOM 1299 O SER A 90 8.249 5.380 -3.711 1.00 0.00 O ATOM 1300 CB SER A 90 7.771 8.170 -4.733 1.00 0.00 C ATOM 1301 OG SER A 90 8.050 9.518 -4.365 1.00 0.00 O ATOM 0 H SER A 90 8.442 8.048 -2.259 1.00 0.00 H new ATOM 0 HA SER A 90 5.943 7.693 -3.737 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.707 7.648 -4.933 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.196 8.159 -5.659 1.00 0.00 H new ATOM 0 HG SER A 90 8.547 9.958 -5.086 1.00 0.00 H new ATOM 1307 N LEU A 91 6.023 5.268 -4.094 1.00 0.00 N ATOM 1308 CA LEU A 91 6.017 3.828 -4.289 1.00 0.00 C ATOM 1309 C LEU A 91 5.063 3.477 -5.433 1.00 0.00 C ATOM 1310 O LEU A 91 4.010 4.096 -5.580 1.00 0.00 O ATOM 1311 CB LEU A 91 5.693 3.111 -2.977 1.00 0.00 C ATOM 1312 CG LEU A 91 6.628 3.409 -1.802 1.00 0.00 C ATOM 1313 CD1 LEU A 91 5.842 3.917 -0.592 1.00 0.00 C ATOM 1314 CD2 LEU A 91 7.483 2.187 -1.459 1.00 0.00 C ATOM 0 H LEU A 91 5.110 5.715 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 91 7.008 3.479 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 91 4.677 3.374 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.703 2.037 -3.161 1.00 0.00 H new ATOM 0 HG LEU A 91 7.310 4.205 -2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.529 4.121 0.229 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.314 4.832 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 91 5.122 3.160 -0.282 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.138 2.425 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 91 6.835 1.354 -1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.086 1.910 -2.324 1.00 0.00 H new ATOM 1326 N THR A 92 5.466 2.485 -6.213 1.00 0.00 N ATOM 1327 CA THR A 92 4.660 2.044 -7.339 1.00 0.00 C ATOM 1328 C THR A 92 3.839 0.811 -6.957 1.00 0.00 C ATOM 1329 O THR A 92 4.361 -0.303 -6.931 1.00 0.00 O ATOM 1330 CB THR A 92 5.596 1.807 -8.526 1.00 0.00 C ATOM 1331 OG1 THR A 92 5.983 3.118 -8.930 1.00 0.00 O ATOM 1332 CG2 THR A 92 4.864 1.243 -9.746 1.00 0.00 C ATOM 0 H THR A 92 6.340 1.974 -6.088 1.00 0.00 H new ATOM 0 HA THR A 92 3.933 2.803 -7.626 1.00 0.00 H new ATOM 0 HB THR A 92 6.390 1.122 -8.230 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.406 3.581 -8.177 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.574 1.094 -10.559 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.404 0.290 -9.486 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.092 1.944 -10.063 1.00 0.00 H new ATOM 1340 N ILE A 93 2.568 1.051 -6.671 1.00 0.00 N ATOM 1341 CA ILE A 93 1.670 -0.026 -6.291 1.00 0.00 C ATOM 1342 C ILE A 93 1.011 -0.601 -7.547 1.00 0.00 C ATOM 1343 O ILE A 93 0.704 0.135 -8.484 1.00 0.00 O ATOM 1344 CB ILE A 93 0.671 0.455 -5.238 1.00 0.00 C ATOM 1345 CG1 ILE A 93 1.394 0.978 -3.995 1.00 0.00 C ATOM 1346 CG2 ILE A 93 -0.337 -0.644 -4.895 1.00 0.00 C ATOM 1347 CD1 ILE A 93 0.558 2.043 -3.282 1.00 0.00 C ATOM 0 H ILE A 93 2.139 1.976 -6.695 1.00 0.00 H new ATOM 0 HA ILE A 93 2.226 -0.838 -5.821 1.00 0.00 H new ATOM 0 HB ILE A 93 0.108 1.288 -5.658 1.00 0.00 H new ATOM 0 HG12 ILE A 93 1.596 0.152 -3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 93 2.358 1.398 -4.281 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -1.036 -0.275 -4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -0.886 -0.927 -5.793 1.00 0.00 H new ATOM 0 HG23 ILE A 93 0.192 -1.513 -4.503 1.00 0.00 H new ATOM 0 HD11 ILE A 93 1.095 2.398 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 93 0.379 2.878 -3.959 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.396 1.613 -2.976 1.00 0.00 H new ATOM 1359 N SER A 94 0.812 -1.911 -7.525 1.00 0.00 N ATOM 1360 CA SER A 94 0.195 -2.593 -8.650 1.00 0.00 C ATOM 1361 C SER A 94 -1.027 -3.383 -8.177 1.00 0.00 C ATOM 1362 O SER A 94 -0.888 -4.452 -7.586 1.00 0.00 O ATOM 1363 CB SER A 94 1.192 -3.522 -9.345 1.00 0.00 C ATOM 1364 OG SER A 94 1.382 -3.174 -10.714 1.00 0.00 O ATOM 0 H SER A 94 1.067 -2.518 -6.746 1.00 0.00 H new ATOM 0 HA SER A 94 -0.124 -1.842 -9.372 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.149 -3.481 -8.825 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.836 -4.550 -9.278 1.00 0.00 H new ATOM 0 HG SER A 94 2.027 -3.789 -11.122 1.00 0.00 H new ATOM 1370 N ILE A 95 -2.196 -2.825 -8.455 1.00 0.00 N ATOM 1371 CA ILE A 95 -3.441 -3.464 -8.065 1.00 0.00 C ATOM 1372 C ILE A 95 -4.043 -4.181 -9.275 1.00 0.00 C ATOM 1373 O ILE A 95 -3.609 -3.967 -10.406 1.00 0.00 O ATOM 1374 CB ILE A 95 -4.386 -2.447 -7.420 1.00 0.00 C ATOM 1375 CG1 ILE A 95 -4.620 -1.252 -8.346 1.00 0.00 C ATOM 1376 CG2 ILE A 95 -3.872 -2.015 -6.046 1.00 0.00 C ATOM 1377 CD1 ILE A 95 -6.115 -1.017 -8.571 1.00 0.00 C ATOM 0 H ILE A 95 -2.307 -1.938 -8.946 1.00 0.00 H new ATOM 0 HA ILE A 95 -3.257 -4.222 -7.304 1.00 0.00 H new ATOM 0 HB ILE A 95 -5.352 -2.929 -7.265 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -4.169 -0.359 -7.914 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -4.128 -1.427 -9.303 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.562 -1.292 -5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -3.799 -2.886 -5.395 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -2.888 -1.558 -6.153 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -6.253 -0.162 -9.233 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -6.558 -1.903 -9.026 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.600 -0.818 -7.615 1.00 0.00 H new ATOM 1389 N VAL A 96 -5.031 -5.018 -8.996 1.00 0.00 N ATOM 1390 CA VAL A 96 -5.696 -5.767 -10.048 1.00 0.00 C ATOM 1391 C VAL A 96 -7.123 -5.241 -10.220 1.00 0.00 C ATOM 1392 O VAL A 96 -8.040 -6.008 -10.508 1.00 0.00 O ATOM 1393 CB VAL A 96 -5.645 -7.265 -9.736 1.00 0.00 C ATOM 1394 CG1 VAL A 96 -6.494 -8.061 -10.729 1.00 0.00 C ATOM 1395 CG2 VAL A 96 -4.202 -7.772 -9.719 1.00 0.00 C ATOM 0 H VAL A 96 -5.387 -5.194 -8.057 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.182 -5.628 -10.999 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.065 -7.415 -8.741 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -6.440 -9.122 -10.485 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -7.530 -7.727 -10.671 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.117 -7.902 -11.739 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -4.194 -8.839 -9.495 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -3.745 -7.602 -10.694 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.637 -7.237 -8.956 1.00 0.00 H new ATOM 1405 N ALA A 97 -7.264 -3.937 -10.037 1.00 0.00 N ATOM 1406 CA ALA A 97 -8.563 -3.299 -10.168 1.00 0.00 C ATOM 1407 C ALA A 97 -9.608 -4.119 -9.409 1.00 0.00 C ATOM 1408 O ALA A 97 -10.159 -5.079 -9.946 1.00 0.00 O ATOM 1409 CB ALA A 97 -8.908 -3.144 -11.651 1.00 0.00 C ATOM 0 H ALA A 97 -6.500 -3.304 -9.799 1.00 0.00 H new ATOM 0 HA ALA A 97 -8.546 -2.301 -9.731 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.882 -2.665 -11.750 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -8.151 -2.530 -12.138 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -8.937 -4.126 -12.122 1.00 0.00 H new ATOM 1415 N ALA A 98 -9.850 -3.711 -8.172 1.00 0.00 N ATOM 1416 CA ALA A 98 -10.819 -4.396 -7.334 1.00 0.00 C ATOM 1417 C ALA A 98 -10.625 -5.908 -7.469 1.00 0.00 C ATOM 1418 O ALA A 98 -11.542 -6.621 -7.874 1.00 0.00 O ATOM 1419 CB ALA A 98 -12.231 -3.953 -7.719 1.00 0.00 C ATOM 0 H ALA A 98 -9.392 -2.914 -7.730 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.671 -4.137 -6.286 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.958 -4.467 -7.090 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -12.326 -2.876 -7.577 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -12.417 -4.199 -8.764 1.00 0.00 H new ATOM 1425 N ALA A 99 -9.426 -6.352 -7.122 1.00 0.00 N ATOM 1426 CA ALA A 99 -9.100 -7.766 -7.199 1.00 0.00 C ATOM 1427 C ALA A 99 -10.016 -8.548 -6.255 1.00 0.00 C ATOM 1428 O ALA A 99 -10.729 -9.453 -6.685 1.00 0.00 O ATOM 1429 CB ALA A 99 -7.619 -7.967 -6.874 1.00 0.00 C ATOM 0 H ALA A 99 -8.668 -5.757 -6.787 1.00 0.00 H new ATOM 0 HA ALA A 99 -9.266 -8.144 -8.208 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -7.375 -9.028 -6.932 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -7.011 -7.415 -7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.415 -7.602 -5.868 1.00 0.00 H new ATOM 1435 N GLY A 100 -9.966 -8.170 -4.986 1.00 0.00 N ATOM 1436 CA GLY A 100 -10.782 -8.825 -3.978 1.00 0.00 C ATOM 1437 C GLY A 100 -11.833 -7.866 -3.416 1.00 0.00 C ATOM 1438 O GLY A 100 -11.865 -7.610 -2.213 1.00 0.00 O ATOM 0 H GLY A 100 -9.373 -7.419 -4.633 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.274 -9.695 -4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.147 -9.188 -3.170 1.00 0.00 H new ATOM 1442 N ARG A 101 -12.668 -7.361 -4.313 1.00 0.00 N ATOM 1443 CA ARG A 101 -13.717 -6.436 -3.921 1.00 0.00 C ATOM 1444 C ARG A 101 -14.805 -7.170 -3.134 1.00 0.00 C ATOM 1445 O ARG A 101 -15.383 -6.614 -2.202 1.00 0.00 O ATOM 1446 CB ARG A 101 -14.346 -5.766 -5.145 1.00 0.00 C ATOM 1447 CG ARG A 101 -14.232 -4.243 -5.056 1.00 0.00 C ATOM 1448 CD ARG A 101 -15.482 -3.566 -5.623 1.00 0.00 C ATOM 1449 NE ARG A 101 -16.097 -2.697 -4.595 1.00 0.00 N ATOM 1450 CZ ARG A 101 -15.727 -1.430 -4.364 1.00 0.00 C ATOM 1451 NH1 ARG A 101 -14.743 -0.876 -5.086 1.00 0.00 N ATOM 1452 NH2 ARG A 101 -16.342 -0.716 -3.411 1.00 0.00 N ATOM 0 H ARG A 101 -12.639 -7.575 -5.310 1.00 0.00 H new ATOM 0 HA ARG A 101 -13.265 -5.668 -3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -13.853 -6.119 -6.051 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -15.395 -6.052 -5.221 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -14.092 -3.945 -4.017 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -13.352 -3.908 -5.605 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -15.219 -2.975 -6.501 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -16.198 -4.320 -5.949 1.00 0.00 H new ATOM 0 HE ARG A 101 -16.849 -3.087 -4.027 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -14.275 -1.419 -5.812 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.462 0.089 -4.910 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -17.091 -1.137 -2.862 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -16.061 0.248 -3.235 1.00 0.00 H new ATOM 1466 N GLU A 102 -15.052 -8.407 -3.540 1.00 0.00 N ATOM 1467 CA GLU A 102 -16.060 -9.222 -2.884 1.00 0.00 C ATOM 1468 C GLU A 102 -15.742 -9.363 -1.394 1.00 0.00 C ATOM 1469 O GLU A 102 -16.647 -9.511 -0.574 1.00 0.00 O ATOM 1470 CB GLU A 102 -16.175 -10.594 -3.552 1.00 0.00 C ATOM 1471 CG GLU A 102 -14.807 -11.271 -3.654 1.00 0.00 C ATOM 1472 CD GLU A 102 -14.524 -11.723 -5.088 1.00 0.00 C ATOM 1473 OE1 GLU A 102 -14.641 -10.862 -5.987 1.00 0.00 O ATOM 1474 OE2 GLU A 102 -14.196 -12.918 -5.252 1.00 0.00 O ATOM 0 H GLU A 102 -14.571 -8.864 -4.315 1.00 0.00 H new ATOM 0 HA GLU A 102 -17.024 -8.723 -2.984 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -16.855 -11.225 -2.980 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -16.605 -10.483 -4.548 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -14.030 -10.580 -3.327 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -14.772 -12.130 -2.984 1.00 0.00 H new ATOM 1481 N LEU A 103 -14.454 -9.312 -1.089 1.00 0.00 N ATOM 1482 CA LEU A 103 -14.005 -9.432 0.288 1.00 0.00 C ATOM 1483 C LEU A 103 -14.745 -8.409 1.152 1.00 0.00 C ATOM 1484 O LEU A 103 -15.117 -8.703 2.287 1.00 0.00 O ATOM 1485 CB LEU A 103 -12.482 -9.317 0.367 1.00 0.00 C ATOM 1486 CG LEU A 103 -11.690 -10.506 -0.181 1.00 0.00 C ATOM 1487 CD1 LEU A 103 -10.214 -10.146 -0.361 1.00 0.00 C ATOM 1488 CD2 LEU A 103 -11.875 -11.742 0.702 1.00 0.00 C ATOM 0 H LEU A 103 -13.706 -9.189 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 103 -14.248 -10.418 0.683 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -12.177 -8.422 -0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.202 -9.169 1.410 1.00 0.00 H new ATOM 0 HG LEU A 103 -12.084 -10.753 -1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -9.674 -11.009 -0.752 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -10.125 -9.315 -1.061 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -9.790 -9.858 0.601 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.302 -12.573 0.290 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -11.525 -11.524 1.711 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -12.931 -12.011 0.735 1.00 0.00 H new ATOM 1500 N PHE A 104 -14.936 -7.228 0.581 1.00 0.00 N ATOM 1501 CA PHE A 104 -15.624 -6.160 1.285 1.00 0.00 C ATOM 1502 C PHE A 104 -17.065 -6.017 0.790 1.00 0.00 C ATOM 1503 O PHE A 104 -17.494 -4.923 0.424 1.00 0.00 O ATOM 1504 CB PHE A 104 -14.865 -4.866 0.987 1.00 0.00 C ATOM 1505 CG PHE A 104 -13.369 -4.935 1.304 1.00 0.00 C ATOM 1506 CD1 PHE A 104 -12.930 -4.688 2.567 1.00 0.00 C ATOM 1507 CD2 PHE A 104 -12.480 -5.243 0.322 1.00 0.00 C ATOM 1508 CE1 PHE A 104 -11.542 -4.753 2.861 1.00 0.00 C ATOM 1509 CE2 PHE A 104 -11.092 -5.307 0.616 1.00 0.00 C ATOM 1510 CZ PHE A 104 -10.652 -5.061 1.879 1.00 0.00 C ATOM 0 H PHE A 104 -14.626 -6.988 -0.361 1.00 0.00 H new ATOM 0 HA PHE A 104 -15.654 -6.377 2.353 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -14.992 -4.617 -0.067 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -15.311 -4.055 1.562 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.636 -4.443 3.346 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.829 -5.439 -0.681 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.193 -4.558 3.864 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -10.386 -5.551 -0.164 1.00 0.00 H new ATOM 0 HZ PHE A 104 -9.597 -5.110 2.103 1.00 0.00 H new