USER MOD reduce.3.24.130724 H: found=0, std=0, add=683, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 684 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 23 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 29 ASN : amide:sc= -5.27! C(o=-5.3!,f=-6.7!) USER MOD Single : A 16 LYS NZ :NH3+ -117:sc= -0.0358 (180deg=-0.354) USER MOD Single : A 18 CYS SG : rot 90:sc= -1.51! USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 GLN : amide:sc= -8.92! C(o=-8.9!,f=-13!) USER MOD Single : A 24 TYR OH : rot 80:sc= -1.9! USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -112:sc= -0.0423 (180deg=-0.815) USER MOD Single : A 39 GLN : amide:sc= -8.48! C(o=-8.5!,f=-9.4!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 159:sc= -11! (180deg=-12.4!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.411 K(o=0.41,f=-2.2!) USER MOD Single : A 59 ASN : amide:sc= -3.07! C(o=-3.1!,f=-3.3!) USER MOD Single : A 62 THR OG1 : rot 160:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.514 X(o=-0.51,f=-0.16) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -176:sc= -10.3! (180deg=-10.5!) USER MOD Single : A 83 SER OG : rot 150:sc= -1.81! USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 49:sc= 0.102 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 156 N ALA A 12 -11.654 -1.499 5.394 1.00 0.00 N ATOM 157 CA ALA A 12 -10.530 -1.177 6.317 1.00 0.00 C ATOM 158 C ALA A 12 -9.244 -1.839 5.814 1.00 0.00 C ATOM 159 O ALA A 12 -8.160 -1.315 5.974 1.00 0.00 O ATOM 160 CB ALA A 12 -10.944 -1.761 7.668 1.00 0.00 C ATOM 0 HA ALA A 12 -10.337 -0.106 6.384 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -10.164 -1.564 8.404 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.876 -1.299 7.994 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.087 -2.837 7.571 1.00 0.00 H new ATOM 166 N LEU A 13 -9.360 -2.986 5.202 1.00 0.00 N ATOM 167 CA LEU A 13 -8.148 -3.683 4.684 1.00 0.00 C ATOM 168 C LEU A 13 -7.437 -2.802 3.653 1.00 0.00 C ATOM 169 O LEU A 13 -6.229 -2.673 3.660 1.00 0.00 O ATOM 170 CB LEU A 13 -8.676 -4.960 4.028 1.00 0.00 C ATOM 171 CG LEU A 13 -7.619 -5.522 3.075 1.00 0.00 C ATOM 172 CD1 LEU A 13 -7.641 -7.051 3.130 1.00 0.00 C ATOM 173 CD2 LEU A 13 -7.923 -5.060 1.648 1.00 0.00 C ATOM 0 H LEU A 13 -10.242 -3.471 5.038 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.425 -3.900 5.470 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.921 -5.698 4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -9.596 -4.747 3.483 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.634 -5.162 3.373 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.888 -7.450 2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.425 -7.382 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.626 -7.412 2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.171 -5.460 0.968 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.908 -5.420 1.351 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.907 -3.971 1.607 1.00 0.00 H new ATOM 185 N GLU A 14 -8.178 -2.197 2.764 1.00 0.00 N ATOM 186 CA GLU A 14 -7.542 -1.328 1.734 1.00 0.00 C ATOM 187 C GLU A 14 -6.953 -0.075 2.388 1.00 0.00 C ATOM 188 O GLU A 14 -5.855 0.342 2.074 1.00 0.00 O ATOM 189 CB GLU A 14 -8.677 -0.951 0.779 1.00 0.00 C ATOM 190 CG GLU A 14 -8.089 -0.428 -0.533 1.00 0.00 C ATOM 191 CD GLU A 14 -9.218 0.075 -1.434 1.00 0.00 C ATOM 192 OE1 GLU A 14 -10.366 -0.185 -1.113 1.00 0.00 O ATOM 193 OE2 GLU A 14 -8.915 0.712 -2.429 1.00 0.00 O ATOM 0 H GLU A 14 -9.194 -2.267 2.707 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.724 -1.831 1.218 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.308 -1.819 0.587 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.312 -0.190 1.234 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -7.384 0.378 -0.332 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.533 -1.220 -1.036 1.00 0.00 H new ATOM 200 N ALA A 15 -7.672 0.528 3.294 1.00 0.00 N ATOM 201 CA ALA A 15 -7.150 1.753 3.966 1.00 0.00 C ATOM 202 C ALA A 15 -5.990 1.393 4.899 1.00 0.00 C ATOM 203 O ALA A 15 -5.043 2.139 5.044 1.00 0.00 O ATOM 204 CB ALA A 15 -8.332 2.300 4.766 1.00 0.00 C ATOM 0 H ALA A 15 -8.598 0.226 3.598 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.767 2.483 3.253 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -8.028 3.205 5.291 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.154 2.532 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.659 1.553 5.489 1.00 0.00 H new ATOM 210 N LYS A 16 -6.059 0.256 5.534 1.00 0.00 N ATOM 211 CA LYS A 16 -4.961 -0.150 6.458 1.00 0.00 C ATOM 212 C LYS A 16 -3.631 -0.220 5.702 1.00 0.00 C ATOM 213 O LYS A 16 -2.609 0.230 6.181 1.00 0.00 O ATOM 214 CB LYS A 16 -5.362 -1.534 6.969 1.00 0.00 C ATOM 215 CG LYS A 16 -5.824 -1.427 8.423 1.00 0.00 C ATOM 216 CD LYS A 16 -4.968 -2.342 9.300 1.00 0.00 C ATOM 217 CE LYS A 16 -5.874 -3.167 10.216 1.00 0.00 C ATOM 218 NZ LYS A 16 -6.530 -4.156 9.317 1.00 0.00 N ATOM 0 H LYS A 16 -6.827 -0.410 5.454 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.825 0.560 7.273 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.161 -1.944 6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.518 -2.220 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.742 -0.396 8.767 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.874 -1.707 8.503 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.366 -3.002 8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.275 -1.748 9.896 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.299 -3.664 10.997 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.611 -2.537 10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -7.557 -3.994 9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.159 -4.047 8.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.332 -5.119 9.657 1.00 0.00 H new ATOM 232 N ILE A 17 -3.637 -0.781 4.524 1.00 0.00 N ATOM 233 CA ILE A 17 -2.373 -0.879 3.739 1.00 0.00 C ATOM 234 C ILE A 17 -1.839 0.522 3.429 1.00 0.00 C ATOM 235 O ILE A 17 -0.661 0.791 3.559 1.00 0.00 O ATOM 236 CB ILE A 17 -2.761 -1.604 2.452 1.00 0.00 C ATOM 237 CG1 ILE A 17 -3.056 -3.072 2.766 1.00 0.00 C ATOM 238 CG2 ILE A 17 -1.610 -1.519 1.450 1.00 0.00 C ATOM 239 CD1 ILE A 17 -3.782 -3.714 1.582 1.00 0.00 C ATOM 0 H ILE A 17 -4.461 -1.176 4.071 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.588 -1.407 4.280 1.00 0.00 H new ATOM 0 HB ILE A 17 -3.648 -1.136 2.025 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -2.127 -3.605 2.968 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -3.668 -3.146 3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.888 -2.037 0.532 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -1.398 -0.473 1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -0.722 -1.986 1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -3.991 -4.760 1.807 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.719 -3.187 1.401 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -3.154 -3.653 0.693 1.00 0.00 H new ATOM 251 N CYS A 18 -2.697 1.415 3.022 1.00 0.00 N ATOM 252 CA CYS A 18 -2.243 2.800 2.706 1.00 0.00 C ATOM 253 C CYS A 18 -1.602 3.437 3.941 1.00 0.00 C ATOM 254 O CYS A 18 -0.620 4.146 3.848 1.00 0.00 O ATOM 255 CB CYS A 18 -3.513 3.553 2.311 1.00 0.00 C ATOM 256 SG CYS A 18 -4.387 2.630 1.023 1.00 0.00 S ATOM 0 H CYS A 18 -3.695 1.246 2.894 1.00 0.00 H new ATOM 0 HA CYS A 18 -1.496 2.821 1.913 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.157 3.682 3.181 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -3.260 4.550 1.950 1.00 0.00 H new ATOM 0 HG CYS A 18 -5.228 1.806 1.574 1.00 0.00 H new ATOM 262 N HIS A 19 -2.151 3.188 5.098 1.00 0.00 N ATOM 263 CA HIS A 19 -1.576 3.779 6.341 1.00 0.00 C ATOM 264 C HIS A 19 -0.114 3.361 6.497 1.00 0.00 C ATOM 265 O HIS A 19 0.712 4.128 6.952 1.00 0.00 O ATOM 266 CB HIS A 19 -2.423 3.212 7.481 1.00 0.00 C ATOM 267 CG HIS A 19 -2.722 4.303 8.473 1.00 0.00 C ATOM 268 ND1 HIS A 19 -3.956 4.933 8.530 1.00 0.00 N ATOM 269 CD2 HIS A 19 -1.957 4.887 9.452 1.00 0.00 C ATOM 270 CE1 HIS A 19 -3.897 5.850 9.513 1.00 0.00 C ATOM 271 NE2 HIS A 19 -2.701 5.864 10.108 1.00 0.00 N ATOM 0 H HIS A 19 -2.973 2.601 5.237 1.00 0.00 H new ATOM 0 HA HIS A 19 -1.594 4.869 6.326 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.352 2.799 7.088 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -1.893 2.395 7.971 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.933 4.628 9.679 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -4.717 6.497 9.788 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -2.398 6.462 10.877 1.00 0.00 H new ATOM 279 N GLN A 20 0.222 2.157 6.124 1.00 0.00 N ATOM 280 CA GLN A 20 1.638 1.719 6.255 1.00 0.00 C ATOM 281 C GLN A 20 2.517 2.590 5.357 1.00 0.00 C ATOM 282 O GLN A 20 3.519 3.132 5.787 1.00 0.00 O ATOM 283 CB GLN A 20 1.652 0.265 5.783 1.00 0.00 C ATOM 284 CG GLN A 20 1.058 -0.630 6.873 1.00 0.00 C ATOM 285 CD GLN A 20 0.518 -1.915 6.244 1.00 0.00 C ATOM 286 OE1 GLN A 20 0.250 -1.959 5.059 1.00 0.00 O ATOM 287 NE2 GLN A 20 0.345 -2.971 6.991 1.00 0.00 N ATOM 0 H GLN A 20 -0.418 1.463 5.737 1.00 0.00 H new ATOM 0 HA GLN A 20 2.018 1.809 7.273 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.078 0.165 4.862 1.00 0.00 H new ATOM 0 HB3 GLN A 20 2.672 -0.046 5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 20 1.819 -0.869 7.616 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.258 -0.104 7.394 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.570 -2.935 7.985 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.015 -3.833 6.581 1.00 0.00 H new ATOM 296 N ILE A 21 2.132 2.762 4.122 1.00 0.00 N ATOM 297 CA ILE A 21 2.933 3.626 3.214 1.00 0.00 C ATOM 298 C ILE A 21 3.023 5.019 3.830 1.00 0.00 C ATOM 299 O ILE A 21 4.030 5.694 3.741 1.00 0.00 O ATOM 300 CB ILE A 21 2.154 3.662 1.900 1.00 0.00 C ATOM 301 CG1 ILE A 21 2.097 2.251 1.305 1.00 0.00 C ATOM 302 CG2 ILE A 21 2.852 4.606 0.919 1.00 0.00 C ATOM 303 CD1 ILE A 21 3.418 1.930 0.602 1.00 0.00 C ATOM 0 H ILE A 21 1.301 2.343 3.705 1.00 0.00 H new ATOM 0 HA ILE A 21 3.948 3.261 3.056 1.00 0.00 H new ATOM 0 HB ILE A 21 1.141 4.019 2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 21 1.907 1.522 2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.271 2.178 0.597 1.00 0.00 H new ATOM 0 HG21 ILE A 21 2.297 4.632 -0.019 1.00 0.00 H new ATOM 0 HG22 ILE A 21 2.892 5.609 1.345 1.00 0.00 H new ATOM 0 HG23 ILE A 21 3.865 4.251 0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 21 3.371 0.926 0.181 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.589 2.651 -0.197 1.00 0.00 H new ATOM 0 HD13 ILE A 21 4.235 1.984 1.321 1.00 0.00 H new ATOM 315 N GLU A 22 1.971 5.439 4.475 1.00 0.00 N ATOM 316 CA GLU A 22 1.975 6.774 5.129 1.00 0.00 C ATOM 317 C GLU A 22 3.052 6.812 6.216 1.00 0.00 C ATOM 318 O GLU A 22 3.664 7.828 6.461 1.00 0.00 O ATOM 319 CB GLU A 22 0.582 6.921 5.745 1.00 0.00 C ATOM 320 CG GLU A 22 -0.410 7.361 4.666 1.00 0.00 C ATOM 321 CD GLU A 22 -1.701 7.846 5.327 1.00 0.00 C ATOM 322 OE1 GLU A 22 -1.876 7.581 6.505 1.00 0.00 O ATOM 323 OE2 GLU A 22 -2.493 8.474 4.644 1.00 0.00 O ATOM 0 H GLU A 22 1.104 4.911 4.577 1.00 0.00 H new ATOM 0 HA GLU A 22 2.193 7.582 4.430 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.264 5.974 6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.605 7.653 6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.023 8.158 4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.623 6.531 3.993 1.00 0.00 H new ATOM 330 N TYR A 23 3.278 5.712 6.880 1.00 0.00 N ATOM 331 CA TYR A 23 4.308 5.693 7.958 1.00 0.00 C ATOM 332 C TYR A 23 5.695 6.048 7.400 1.00 0.00 C ATOM 333 O TYR A 23 6.419 6.826 7.989 1.00 0.00 O ATOM 334 CB TYR A 23 4.289 4.264 8.502 1.00 0.00 C ATOM 335 CG TYR A 23 5.605 3.958 9.176 1.00 0.00 C ATOM 336 CD1 TYR A 23 5.907 4.526 10.419 1.00 0.00 C ATOM 337 CD2 TYR A 23 6.523 3.108 8.553 1.00 0.00 C ATOM 338 CE1 TYR A 23 7.131 4.241 11.038 1.00 0.00 C ATOM 339 CE2 TYR A 23 7.745 2.823 9.171 1.00 0.00 C ATOM 340 CZ TYR A 23 8.051 3.390 10.414 1.00 0.00 C ATOM 341 OH TYR A 23 9.256 3.109 11.024 1.00 0.00 O ATOM 0 H TYR A 23 2.795 4.827 6.724 1.00 0.00 H new ATOM 0 HA TYR A 23 4.096 6.428 8.735 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.470 4.146 9.211 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.112 3.558 7.690 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.198 5.183 10.900 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.289 2.671 7.594 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.365 4.678 11.997 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.453 2.165 8.689 1.00 0.00 H new ATOM 0 HH TYR A 23 9.776 2.502 10.457 1.00 0.00 H new ATOM 351 N TYR A 24 6.082 5.495 6.275 1.00 0.00 N ATOM 352 CA TYR A 24 7.435 5.841 5.729 1.00 0.00 C ATOM 353 C TYR A 24 7.407 7.215 5.060 1.00 0.00 C ATOM 354 O TYR A 24 8.338 7.988 5.168 1.00 0.00 O ATOM 355 CB TYR A 24 7.794 4.790 4.670 1.00 0.00 C ATOM 356 CG TYR A 24 7.103 3.480 4.936 1.00 0.00 C ATOM 357 CD1 TYR A 24 7.701 2.523 5.763 1.00 0.00 C ATOM 358 CD2 TYR A 24 5.875 3.214 4.331 1.00 0.00 C ATOM 359 CE1 TYR A 24 7.062 1.299 5.987 1.00 0.00 C ATOM 360 CE2 TYR A 24 5.238 1.993 4.551 1.00 0.00 C ATOM 361 CZ TYR A 24 5.829 1.033 5.380 1.00 0.00 C ATOM 362 OH TYR A 24 5.199 -0.175 5.597 1.00 0.00 O ATOM 0 H TYR A 24 5.536 4.835 5.722 1.00 0.00 H new ATOM 0 HA TYR A 24 8.164 5.859 6.539 1.00 0.00 H new ATOM 0 HB2 TYR A 24 7.513 5.157 3.683 1.00 0.00 H new ATOM 0 HB3 TYR A 24 8.873 4.637 4.659 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.654 2.729 6.227 1.00 0.00 H new ATOM 0 HD2 TYR A 24 5.417 3.954 3.692 1.00 0.00 H new ATOM 0 HE1 TYR A 24 7.520 0.560 6.628 1.00 0.00 H new ATOM 0 HE2 TYR A 24 4.287 1.788 4.081 1.00 0.00 H new ATOM 0 HH TYR A 24 4.741 -0.154 6.463 1.00 0.00 H new ATOM 372 N PHE A 25 6.359 7.515 4.344 1.00 0.00 N ATOM 373 CA PHE A 25 6.298 8.833 3.639 1.00 0.00 C ATOM 374 C PHE A 25 5.514 9.870 4.450 1.00 0.00 C ATOM 375 O PHE A 25 5.657 11.057 4.243 1.00 0.00 O ATOM 376 CB PHE A 25 5.574 8.537 2.327 1.00 0.00 C ATOM 377 CG PHE A 25 6.539 7.924 1.341 1.00 0.00 C ATOM 378 CD1 PHE A 25 7.524 8.716 0.741 1.00 0.00 C ATOM 379 CD2 PHE A 25 6.445 6.563 1.024 1.00 0.00 C ATOM 380 CE1 PHE A 25 8.417 8.148 -0.175 1.00 0.00 C ATOM 381 CE2 PHE A 25 7.337 5.995 0.107 1.00 0.00 C ATOM 382 CZ PHE A 25 8.323 6.788 -0.493 1.00 0.00 C ATOM 0 H PHE A 25 5.546 6.912 4.215 1.00 0.00 H new ATOM 0 HA PHE A 25 7.293 9.252 3.490 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.741 7.857 2.506 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.154 9.455 1.917 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.595 9.766 0.985 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.684 5.952 1.487 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.179 8.759 -0.636 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.265 4.946 -0.138 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.011 6.350 -1.201 1.00 0.00 H new ATOM 392 N GLY A 26 4.663 9.435 5.337 1.00 0.00 N ATOM 393 CA GLY A 26 3.834 10.389 6.142 1.00 0.00 C ATOM 394 C GLY A 26 4.703 11.458 6.822 1.00 0.00 C ATOM 395 O GLY A 26 4.510 11.778 7.977 1.00 0.00 O ATOM 0 H GLY A 26 4.502 8.449 5.544 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.102 10.872 5.494 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.276 9.838 6.899 1.00 0.00 H new ATOM 399 N ASP A 27 5.635 12.028 6.114 1.00 0.00 N ATOM 400 CA ASP A 27 6.496 13.096 6.707 1.00 0.00 C ATOM 401 C ASP A 27 7.241 12.616 7.960 1.00 0.00 C ATOM 402 O ASP A 27 8.160 13.263 8.414 1.00 0.00 O ATOM 403 CB ASP A 27 5.524 14.220 7.068 1.00 0.00 C ATOM 404 CG ASP A 27 4.879 14.768 5.793 1.00 0.00 C ATOM 405 OD1 ASP A 27 5.603 15.294 4.964 1.00 0.00 O ATOM 406 OD2 ASP A 27 3.671 14.651 5.667 1.00 0.00 O ATOM 0 H ASP A 27 5.842 11.800 5.141 1.00 0.00 H new ATOM 0 HA ASP A 27 7.271 13.408 6.007 1.00 0.00 H new ATOM 0 HB2 ASP A 27 4.756 13.847 7.745 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.052 15.017 7.592 1.00 0.00 H new ATOM 411 N PHE A 28 6.864 11.507 8.540 1.00 0.00 N ATOM 412 CA PHE A 28 7.579 11.046 9.764 1.00 0.00 C ATOM 413 C PHE A 28 8.886 10.341 9.398 1.00 0.00 C ATOM 414 O PHE A 28 9.931 10.616 9.955 1.00 0.00 O ATOM 415 CB PHE A 28 6.616 10.069 10.441 1.00 0.00 C ATOM 416 CG PHE A 28 7.258 9.511 11.689 1.00 0.00 C ATOM 417 CD1 PHE A 28 7.215 10.240 12.884 1.00 0.00 C ATOM 418 CD2 PHE A 28 7.896 8.265 11.651 1.00 0.00 C ATOM 419 CE1 PHE A 28 7.811 9.722 14.040 1.00 0.00 C ATOM 420 CE2 PHE A 28 8.491 7.748 12.808 1.00 0.00 C ATOM 421 CZ PHE A 28 8.447 8.476 14.003 1.00 0.00 C ATOM 0 H PHE A 28 6.102 10.908 8.224 1.00 0.00 H new ATOM 0 HA PHE A 28 7.847 11.878 10.415 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.685 10.576 10.694 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.362 9.259 9.757 1.00 0.00 H new ATOM 0 HD1 PHE A 28 6.723 11.201 12.914 1.00 0.00 H new ATOM 0 HD2 PHE A 28 7.929 7.703 10.729 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.780 10.285 14.961 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.984 6.788 12.779 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.904 8.076 14.896 1.00 0.00 H new ATOM 431 N ASN A 29 8.828 9.421 8.481 1.00 0.00 N ATOM 432 CA ASN A 29 10.056 8.672 8.079 1.00 0.00 C ATOM 433 C ASN A 29 10.946 9.493 7.134 1.00 0.00 C ATOM 434 O ASN A 29 12.151 9.365 7.143 1.00 0.00 O ATOM 435 CB ASN A 29 9.533 7.428 7.368 1.00 0.00 C ATOM 436 CG ASN A 29 9.925 6.181 8.163 1.00 0.00 C ATOM 437 OD1 ASN A 29 10.233 5.154 7.592 1.00 0.00 O ATOM 438 ND2 ASN A 29 9.926 6.228 9.466 1.00 0.00 N ATOM 0 H ASN A 29 7.978 9.151 7.986 1.00 0.00 H new ATOM 0 HA ASN A 29 10.679 8.438 8.942 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.449 7.482 7.268 1.00 0.00 H new ATOM 0 HB3 ASN A 29 9.944 7.373 6.360 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.185 5.402 10.006 1.00 0.00 H new ATOM 0 HD22 ASN A 29 9.667 7.090 9.945 1.00 0.00 H new ATOM 445 N LEU A 30 10.360 10.297 6.292 1.00 0.00 N ATOM 446 CA LEU A 30 11.168 11.085 5.307 1.00 0.00 C ATOM 447 C LEU A 30 12.212 11.986 5.988 1.00 0.00 C ATOM 448 O LEU A 30 13.312 12.125 5.495 1.00 0.00 O ATOM 449 CB LEU A 30 10.138 11.936 4.563 1.00 0.00 C ATOM 450 CG LEU A 30 9.748 11.253 3.247 1.00 0.00 C ATOM 451 CD1 LEU A 30 9.805 9.732 3.408 1.00 0.00 C ATOM 452 CD2 LEU A 30 8.325 11.665 2.867 1.00 0.00 C ATOM 0 H LEU A 30 9.352 10.446 6.240 1.00 0.00 H new ATOM 0 HA LEU A 30 11.738 10.427 4.652 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.254 12.078 5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 30 10.549 12.925 4.361 1.00 0.00 H new ATOM 0 HG LEU A 30 10.445 11.557 2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.526 9.256 2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.817 9.433 3.680 1.00 0.00 H new ATOM 0 HD13 LEU A 30 9.112 9.423 4.191 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.044 11.181 1.932 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.636 11.361 3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 30 8.280 12.747 2.744 1.00 0.00 H new ATOM 464 N PRO A 31 11.839 12.576 7.088 1.00 0.00 N ATOM 465 CA PRO A 31 12.772 13.477 7.814 1.00 0.00 C ATOM 466 C PRO A 31 14.055 12.738 8.213 1.00 0.00 C ATOM 467 O PRO A 31 15.037 13.349 8.585 1.00 0.00 O ATOM 468 CB PRO A 31 11.993 13.897 9.059 1.00 0.00 C ATOM 469 CG PRO A 31 10.561 13.581 8.766 1.00 0.00 C ATOM 470 CD PRO A 31 10.539 12.475 7.746 1.00 0.00 C ATOM 0 HA PRO A 31 13.085 14.324 7.203 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.341 13.357 9.939 1.00 0.00 H new ATOM 0 HB3 PRO A 31 12.126 14.959 9.264 1.00 0.00 H new ATOM 0 HG2 PRO A 31 10.043 13.274 9.675 1.00 0.00 H new ATOM 0 HG3 PRO A 31 10.044 14.462 8.386 1.00 0.00 H new ATOM 0 HD2 PRO A 31 10.404 11.501 8.216 1.00 0.00 H new ATOM 0 HD3 PRO A 31 9.721 12.602 7.036 1.00 0.00 H new ATOM 478 N ARG A 32 14.063 11.435 8.144 1.00 0.00 N ATOM 479 CA ARG A 32 15.297 10.685 8.526 1.00 0.00 C ATOM 480 C ARG A 32 15.373 9.341 7.792 1.00 0.00 C ATOM 481 O ARG A 32 16.263 8.548 8.028 1.00 0.00 O ATOM 482 CB ARG A 32 15.169 10.461 10.034 1.00 0.00 C ATOM 483 CG ARG A 32 16.549 10.168 10.626 1.00 0.00 C ATOM 484 CD ARG A 32 16.502 10.342 12.146 1.00 0.00 C ATOM 485 NE ARG A 32 17.457 11.446 12.437 1.00 0.00 N ATOM 486 CZ ARG A 32 18.743 11.234 12.365 1.00 0.00 C ATOM 487 NH1 ARG A 32 19.194 10.053 12.040 1.00 0.00 N ATOM 488 NH2 ARG A 32 19.578 12.204 12.619 1.00 0.00 N ATOM 0 H ARG A 32 13.277 10.860 7.843 1.00 0.00 H new ATOM 0 HA ARG A 32 16.202 11.233 8.262 1.00 0.00 H new ATOM 0 HB2 ARG A 32 14.738 11.343 10.508 1.00 0.00 H new ATOM 0 HB3 ARG A 32 14.492 9.630 10.233 1.00 0.00 H new ATOM 0 HG2 ARG A 32 16.855 9.152 10.375 1.00 0.00 H new ATOM 0 HG3 ARG A 32 17.291 10.840 10.195 1.00 0.00 H new ATOM 0 HD2 ARG A 32 15.496 10.591 12.484 1.00 0.00 H new ATOM 0 HD3 ARG A 32 16.792 9.424 12.658 1.00 0.00 H new ATOM 0 HE ARG A 32 17.106 12.369 12.693 1.00 0.00 H new ATOM 0 HH11 ARG A 32 18.541 9.295 11.842 1.00 0.00 H new ATOM 0 HH12 ARG A 32 20.199 9.889 11.984 1.00 0.00 H new ATOM 0 HH21 ARG A 32 19.226 13.127 12.874 1.00 0.00 H new ATOM 0 HH22 ARG A 32 20.583 12.039 12.563 1.00 0.00 H new ATOM 502 N ASP A 33 14.432 9.060 6.935 1.00 0.00 N ATOM 503 CA ASP A 33 14.435 7.748 6.224 1.00 0.00 C ATOM 504 C ASP A 33 15.706 7.568 5.389 1.00 0.00 C ATOM 505 O ASP A 33 15.817 8.063 4.285 1.00 0.00 O ATOM 506 CB ASP A 33 13.209 7.799 5.311 1.00 0.00 C ATOM 507 CG ASP A 33 12.144 6.835 5.833 1.00 0.00 C ATOM 508 OD1 ASP A 33 12.192 6.509 7.007 1.00 0.00 O ATOM 509 OD2 ASP A 33 11.297 6.440 5.049 1.00 0.00 O ATOM 0 H ASP A 33 13.660 9.682 6.695 1.00 0.00 H new ATOM 0 HA ASP A 33 14.407 6.913 6.924 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.811 8.813 5.276 1.00 0.00 H new ATOM 0 HB3 ASP A 33 13.490 7.531 4.292 1.00 0.00 H new ATOM 514 N LYS A 34 16.661 6.852 5.918 1.00 0.00 N ATOM 515 CA LYS A 34 17.931 6.620 5.161 1.00 0.00 C ATOM 516 C LYS A 34 17.676 5.688 3.980 1.00 0.00 C ATOM 517 O LYS A 34 18.094 5.939 2.867 1.00 0.00 O ATOM 518 CB LYS A 34 18.899 5.935 6.135 1.00 0.00 C ATOM 519 CG LYS A 34 18.144 5.241 7.273 1.00 0.00 C ATOM 520 CD LYS A 34 18.062 6.176 8.481 1.00 0.00 C ATOM 521 CE LYS A 34 17.022 5.646 9.470 1.00 0.00 C ATOM 522 NZ LYS A 34 17.757 4.658 10.307 1.00 0.00 N ATOM 0 H LYS A 34 16.620 6.417 6.840 1.00 0.00 H new ATOM 0 HA LYS A 34 18.332 7.559 4.779 1.00 0.00 H new ATOM 0 HB2 LYS A 34 19.503 5.204 5.597 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.586 6.674 6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 34 17.142 4.967 6.944 1.00 0.00 H new ATOM 0 HG3 LYS A 34 18.652 4.317 7.550 1.00 0.00 H new ATOM 0 HD2 LYS A 34 19.036 6.247 8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 34 17.792 7.181 8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 34 16.610 6.451 10.079 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.185 5.179 8.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.110 4.250 11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 18.132 3.900 9.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 18.544 5.133 10.794 1.00 0.00 H new ATOM 536 N PHE A 35 16.992 4.612 4.224 1.00 0.00 N ATOM 537 CA PHE A 35 16.697 3.641 3.130 1.00 0.00 C ATOM 538 C PHE A 35 15.756 4.274 2.102 1.00 0.00 C ATOM 539 O PHE A 35 15.942 4.135 0.909 1.00 0.00 O ATOM 540 CB PHE A 35 16.021 2.455 3.819 1.00 0.00 C ATOM 541 CG PHE A 35 14.748 2.914 4.488 1.00 0.00 C ATOM 542 CD1 PHE A 35 13.547 2.936 3.768 1.00 0.00 C ATOM 543 CD2 PHE A 35 14.767 3.316 5.829 1.00 0.00 C ATOM 544 CE1 PHE A 35 12.367 3.360 4.390 1.00 0.00 C ATOM 545 CE2 PHE A 35 13.587 3.739 6.451 1.00 0.00 C ATOM 546 CZ PHE A 35 12.386 3.761 5.730 1.00 0.00 C ATOM 0 H PHE A 35 16.620 4.357 5.139 1.00 0.00 H new ATOM 0 HA PHE A 35 17.597 3.339 2.594 1.00 0.00 H new ATOM 0 HB2 PHE A 35 15.799 1.676 3.089 1.00 0.00 H new ATOM 0 HB3 PHE A 35 16.694 2.019 4.557 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.531 2.626 2.734 1.00 0.00 H new ATOM 0 HD2 PHE A 35 15.693 3.300 6.384 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.441 3.378 3.835 1.00 0.00 H new ATOM 0 HE2 PHE A 35 13.602 4.048 7.486 1.00 0.00 H new ATOM 0 HZ PHE A 35 11.475 4.088 6.209 1.00 0.00 H new ATOM 556 N LEU A 36 14.754 4.979 2.551 1.00 0.00 N ATOM 557 CA LEU A 36 13.814 5.627 1.594 1.00 0.00 C ATOM 558 C LEU A 36 14.574 6.655 0.754 1.00 0.00 C ATOM 559 O LEU A 36 14.320 6.831 -0.421 1.00 0.00 O ATOM 560 CB LEU A 36 12.765 6.314 2.466 1.00 0.00 C ATOM 561 CG LEU A 36 11.385 6.152 1.830 1.00 0.00 C ATOM 562 CD1 LEU A 36 11.464 6.474 0.335 1.00 0.00 C ATOM 563 CD2 LEU A 36 10.901 4.712 2.016 1.00 0.00 C ATOM 0 H LEU A 36 14.546 5.134 3.537 1.00 0.00 H new ATOM 0 HA LEU A 36 13.357 4.916 0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.769 5.881 3.466 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.004 7.372 2.575 1.00 0.00 H new ATOM 0 HG LEU A 36 10.686 6.836 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 36 10.478 6.357 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.805 7.501 0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 36 12.166 5.793 -0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 36 9.917 4.598 1.562 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.603 4.028 1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.839 4.484 3.080 1.00 0.00 H new ATOM 575 N LYS A 37 15.521 7.320 1.354 1.00 0.00 N ATOM 576 CA LYS A 37 16.328 8.325 0.604 1.00 0.00 C ATOM 577 C LYS A 37 17.107 7.622 -0.504 1.00 0.00 C ATOM 578 O LYS A 37 17.368 8.174 -1.555 1.00 0.00 O ATOM 579 CB LYS A 37 17.290 8.898 1.639 1.00 0.00 C ATOM 580 CG LYS A 37 17.176 10.418 1.657 1.00 0.00 C ATOM 581 CD LYS A 37 16.461 10.852 2.936 1.00 0.00 C ATOM 582 CE LYS A 37 15.298 11.781 2.582 1.00 0.00 C ATOM 583 NZ LYS A 37 14.288 10.901 1.932 1.00 0.00 N ATOM 0 H LYS A 37 15.773 7.211 2.336 1.00 0.00 H new ATOM 0 HA LYS A 37 15.716 9.098 0.140 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.061 8.494 2.625 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.312 8.603 1.403 1.00 0.00 H new ATOM 0 HG2 LYS A 37 18.167 10.870 1.609 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.625 10.764 0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.092 9.978 3.473 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.159 11.363 3.600 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.890 12.260 3.472 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.619 12.577 1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.208 11.149 0.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.584 9.908 2.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.366 11.031 2.395 1.00 0.00 H new ATOM 597 N GLU A 38 17.468 6.397 -0.264 1.00 0.00 N ATOM 598 CA GLU A 38 18.225 5.620 -1.285 1.00 0.00 C ATOM 599 C GLU A 38 17.344 5.386 -2.516 1.00 0.00 C ATOM 600 O GLU A 38 17.759 5.600 -3.638 1.00 0.00 O ATOM 601 CB GLU A 38 18.561 4.292 -0.605 1.00 0.00 C ATOM 602 CG GLU A 38 20.014 3.918 -0.903 1.00 0.00 C ATOM 603 CD GLU A 38 20.950 4.816 -0.092 1.00 0.00 C ATOM 604 OE1 GLU A 38 20.593 5.961 0.130 1.00 0.00 O ATOM 605 OE2 GLU A 38 22.007 4.344 0.291 1.00 0.00 O ATOM 0 H GLU A 38 17.271 5.894 0.601 1.00 0.00 H new ATOM 0 HA GLU A 38 19.122 6.139 -1.624 1.00 0.00 H new ATOM 0 HB2 GLU A 38 18.409 4.374 0.471 1.00 0.00 H new ATOM 0 HB3 GLU A 38 17.892 3.509 -0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 38 20.190 2.872 -0.653 1.00 0.00 H new ATOM 0 HG3 GLU A 38 20.218 4.030 -1.968 1.00 0.00 H new ATOM 612 N GLN A 39 16.130 4.951 -2.311 1.00 0.00 N ATOM 613 CA GLN A 39 15.219 4.707 -3.467 1.00 0.00 C ATOM 614 C GLN A 39 14.780 6.036 -4.085 1.00 0.00 C ATOM 615 O GLN A 39 14.833 6.224 -5.285 1.00 0.00 O ATOM 616 CB GLN A 39 14.017 3.973 -2.873 1.00 0.00 C ATOM 617 CG GLN A 39 14.356 2.491 -2.709 1.00 0.00 C ATOM 618 CD GLN A 39 14.116 1.764 -4.034 1.00 0.00 C ATOM 619 OE1 GLN A 39 13.676 2.360 -4.997 1.00 0.00 O ATOM 620 NE2 GLN A 39 14.390 0.492 -4.125 1.00 0.00 N ATOM 0 H GLN A 39 15.730 4.754 -1.394 1.00 0.00 H new ATOM 0 HA GLN A 39 15.701 4.132 -4.258 1.00 0.00 H new ATOM 0 HB2 GLN A 39 13.753 4.406 -1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 39 13.149 4.089 -3.522 1.00 0.00 H new ATOM 0 HG2 GLN A 39 15.396 2.376 -2.402 1.00 0.00 H new ATOM 0 HG3 GLN A 39 13.741 2.051 -1.924 1.00 0.00 H new ATOM 0 HE21 GLN A 39 14.759 -0.009 -3.317 1.00 0.00 H new ATOM 0 HE22 GLN A 39 14.235 -0.001 -5.004 1.00 0.00 H new ATOM 629 N ILE A 40 14.347 6.961 -3.273 1.00 0.00 N ATOM 630 CA ILE A 40 13.906 8.278 -3.813 1.00 0.00 C ATOM 631 C ILE A 40 15.060 8.945 -4.568 1.00 0.00 C ATOM 632 O ILE A 40 14.870 9.562 -5.596 1.00 0.00 O ATOM 633 CB ILE A 40 13.510 9.103 -2.588 1.00 0.00 C ATOM 634 CG1 ILE A 40 12.666 10.300 -3.032 1.00 0.00 C ATOM 635 CG2 ILE A 40 14.768 9.604 -1.877 1.00 0.00 C ATOM 636 CD1 ILE A 40 11.633 10.626 -1.951 1.00 0.00 C ATOM 0 H ILE A 40 14.280 6.862 -2.260 1.00 0.00 H new ATOM 0 HA ILE A 40 13.078 8.183 -4.516 1.00 0.00 H new ATOM 0 HB ILE A 40 12.932 8.481 -1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 40 13.306 11.164 -3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 40 12.164 10.076 -3.973 1.00 0.00 H new ATOM 0 HG21 ILE A 40 14.483 10.192 -1.004 1.00 0.00 H new ATOM 0 HG22 ILE A 40 15.370 8.753 -1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 40 15.348 10.225 -2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 40 11.032 11.479 -2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.985 9.763 -1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 40 12.145 10.869 -1.020 1.00 0.00 H new ATOM 648 N LYS A 41 16.256 8.824 -4.059 1.00 0.00 N ATOM 649 CA LYS A 41 17.426 9.450 -4.741 1.00 0.00 C ATOM 650 C LYS A 41 17.880 8.584 -5.921 1.00 0.00 C ATOM 651 O LYS A 41 18.407 9.079 -6.897 1.00 0.00 O ATOM 652 CB LYS A 41 18.518 9.512 -3.673 1.00 0.00 C ATOM 653 CG LYS A 41 19.721 10.285 -4.217 1.00 0.00 C ATOM 654 CD LYS A 41 20.934 9.356 -4.290 1.00 0.00 C ATOM 655 CE LYS A 41 21.804 9.553 -3.047 1.00 0.00 C ATOM 656 NZ LYS A 41 22.481 8.242 -2.840 1.00 0.00 N ATOM 0 H LYS A 41 16.474 8.319 -3.200 1.00 0.00 H new ATOM 0 HA LYS A 41 17.190 10.435 -5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 41 18.136 9.998 -2.775 1.00 0.00 H new ATOM 0 HB3 LYS A 41 18.819 8.504 -3.387 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.494 10.683 -5.206 1.00 0.00 H new ATOM 0 HG3 LYS A 41 19.940 11.137 -3.574 1.00 0.00 H new ATOM 0 HD2 LYS A 41 20.607 8.318 -4.357 1.00 0.00 H new ATOM 0 HD3 LYS A 41 21.513 9.567 -5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.529 10.353 -3.195 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.200 9.827 -2.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 23.097 8.298 -2.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 21.766 7.501 -2.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 23.054 8.011 -3.677 1.00 0.00 H new ATOM 670 N LEU A 42 17.680 7.296 -5.842 1.00 0.00 N ATOM 671 CA LEU A 42 18.103 6.406 -6.960 1.00 0.00 C ATOM 672 C LEU A 42 17.536 6.924 -8.285 1.00 0.00 C ATOM 673 O LEU A 42 18.143 7.733 -8.957 1.00 0.00 O ATOM 674 CB LEU A 42 17.515 5.035 -6.621 1.00 0.00 C ATOM 675 CG LEU A 42 18.592 4.165 -5.975 1.00 0.00 C ATOM 676 CD1 LEU A 42 17.937 3.175 -5.009 1.00 0.00 C ATOM 677 CD2 LEU A 42 19.342 3.392 -7.062 1.00 0.00 C ATOM 0 H LEU A 42 17.242 6.822 -5.052 1.00 0.00 H new ATOM 0 HA LEU A 42 19.187 6.365 -7.071 1.00 0.00 H new ATOM 0 HB2 LEU A 42 16.669 5.148 -5.943 1.00 0.00 H new ATOM 0 HB3 LEU A 42 17.138 4.555 -7.524 1.00 0.00 H new ATOM 0 HG LEU A 42 19.291 4.799 -5.429 1.00 0.00 H new ATOM 0 HD11 LEU A 42 18.705 2.554 -4.548 1.00 0.00 H new ATOM 0 HD12 LEU A 42 17.400 3.723 -4.235 1.00 0.00 H new ATOM 0 HD13 LEU A 42 17.238 2.542 -5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 42 20.111 2.771 -6.602 1.00 0.00 H new ATOM 0 HD22 LEU A 42 18.642 2.759 -7.607 1.00 0.00 H new ATOM 0 HD23 LEU A 42 19.808 4.095 -7.752 1.00 0.00 H new ATOM 689 N ASP A 43 16.373 6.469 -8.662 1.00 0.00 N ATOM 690 CA ASP A 43 15.767 6.944 -9.938 1.00 0.00 C ATOM 691 C ASP A 43 15.308 8.395 -9.779 1.00 0.00 C ATOM 692 O ASP A 43 16.033 9.230 -9.278 1.00 0.00 O ATOM 693 CB ASP A 43 14.572 6.021 -10.179 1.00 0.00 C ATOM 694 CG ASP A 43 14.255 5.974 -11.674 1.00 0.00 C ATOM 695 OD1 ASP A 43 15.053 5.421 -12.412 1.00 0.00 O ATOM 696 OD2 ASP A 43 13.218 6.492 -12.056 1.00 0.00 O ATOM 0 H ASP A 43 15.817 5.790 -8.143 1.00 0.00 H new ATOM 0 HA ASP A 43 16.468 6.917 -10.772 1.00 0.00 H new ATOM 0 HB2 ASP A 43 14.794 5.019 -9.812 1.00 0.00 H new ATOM 0 HB3 ASP A 43 13.705 6.379 -9.624 1.00 0.00 H new ATOM 701 N GLU A 44 14.107 8.705 -10.186 1.00 0.00 N ATOM 702 CA GLU A 44 13.609 10.101 -10.038 1.00 0.00 C ATOM 703 C GLU A 44 12.607 10.166 -8.885 1.00 0.00 C ATOM 704 O GLU A 44 11.527 10.706 -9.015 1.00 0.00 O ATOM 705 CB GLU A 44 12.921 10.421 -11.366 1.00 0.00 C ATOM 706 CG GLU A 44 13.159 11.889 -11.725 1.00 0.00 C ATOM 707 CD GLU A 44 12.658 12.156 -13.146 1.00 0.00 C ATOM 708 OE1 GLU A 44 12.153 11.229 -13.758 1.00 0.00 O ATOM 709 OE2 GLU A 44 12.787 13.282 -13.597 1.00 0.00 O ATOM 0 H GLU A 44 13.450 8.052 -10.614 1.00 0.00 H new ATOM 0 HA GLU A 44 14.407 10.810 -9.817 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.310 9.776 -12.154 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.852 10.223 -11.290 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.640 12.536 -11.018 1.00 0.00 H new ATOM 0 HG3 GLU A 44 14.221 12.124 -11.652 1.00 0.00 H new ATOM 716 N GLY A 45 12.956 9.607 -7.758 1.00 0.00 N ATOM 717 CA GLY A 45 12.022 9.623 -6.598 1.00 0.00 C ATOM 718 C GLY A 45 10.931 8.576 -6.819 1.00 0.00 C ATOM 719 O GLY A 45 9.760 8.890 -6.884 1.00 0.00 O ATOM 0 H GLY A 45 13.847 9.140 -7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.564 9.412 -5.676 1.00 0.00 H new ATOM 0 HA3 GLY A 45 11.577 10.612 -6.487 1.00 0.00 H new ATOM 723 N TRP A 46 11.306 7.332 -6.943 1.00 0.00 N ATOM 724 CA TRP A 46 10.284 6.270 -7.168 1.00 0.00 C ATOM 725 C TRP A 46 10.713 4.958 -6.503 1.00 0.00 C ATOM 726 O TRP A 46 11.612 4.281 -6.959 1.00 0.00 O ATOM 727 CB TRP A 46 10.217 6.101 -8.685 1.00 0.00 C ATOM 728 CG TRP A 46 9.282 7.116 -9.258 1.00 0.00 C ATOM 729 CD1 TRP A 46 9.648 8.149 -10.052 1.00 0.00 C ATOM 730 CD2 TRP A 46 7.837 7.216 -9.096 1.00 0.00 C ATOM 731 NE1 TRP A 46 8.520 8.876 -10.388 1.00 0.00 N ATOM 732 CE2 TRP A 46 7.379 8.339 -9.824 1.00 0.00 C ATOM 733 CE3 TRP A 46 6.888 6.447 -8.397 1.00 0.00 C ATOM 734 CZ2 TRP A 46 6.028 8.689 -9.856 1.00 0.00 C ATOM 735 CZ3 TRP A 46 5.528 6.797 -8.428 1.00 0.00 C ATOM 736 CH2 TRP A 46 5.099 7.915 -9.156 1.00 0.00 C ATOM 0 H TRP A 46 12.271 7.006 -6.899 1.00 0.00 H new ATOM 0 HA TRP A 46 9.318 6.537 -6.740 1.00 0.00 H new ATOM 0 HB2 TRP A 46 11.210 6.219 -9.119 1.00 0.00 H new ATOM 0 HB3 TRP A 46 9.877 5.096 -8.935 1.00 0.00 H new ATOM 0 HD1 TRP A 46 10.656 8.370 -10.371 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.530 9.707 -10.980 1.00 0.00 H new ATOM 0 HE3 TRP A 46 7.207 5.583 -7.833 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.703 9.552 -10.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 4.808 6.201 -7.887 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.052 8.178 -9.176 1.00 0.00 H new ATOM 747 N VAL A 47 10.061 4.591 -5.435 1.00 0.00 N ATOM 748 CA VAL A 47 10.416 3.314 -4.749 1.00 0.00 C ATOM 749 C VAL A 47 9.392 2.235 -5.103 1.00 0.00 C ATOM 750 O VAL A 47 8.217 2.512 -5.227 1.00 0.00 O ATOM 751 CB VAL A 47 10.375 3.626 -3.251 1.00 0.00 C ATOM 752 CG1 VAL A 47 8.923 3.779 -2.797 1.00 0.00 C ATOM 753 CG2 VAL A 47 11.031 2.476 -2.476 1.00 0.00 C ATOM 0 H VAL A 47 9.299 5.118 -5.007 1.00 0.00 H new ATOM 0 HA VAL A 47 11.396 2.943 -5.050 1.00 0.00 H new ATOM 0 HB VAL A 47 10.914 4.554 -3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.897 4.001 -1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 47 8.453 4.593 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 47 8.382 2.852 -2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.004 2.695 -1.408 1.00 0.00 H new ATOM 0 HG22 VAL A 47 10.489 1.550 -2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 47 12.067 2.365 -2.797 1.00 0.00 H new ATOM 763 N PRO A 48 9.873 1.034 -5.253 1.00 0.00 N ATOM 764 CA PRO A 48 9.004 -0.098 -5.592 1.00 0.00 C ATOM 765 C PRO A 48 8.472 -0.733 -4.310 1.00 0.00 C ATOM 766 O PRO A 48 9.160 -0.817 -3.313 1.00 0.00 O ATOM 767 CB PRO A 48 9.936 -1.055 -6.326 1.00 0.00 C ATOM 768 CG PRO A 48 11.329 -0.675 -5.908 1.00 0.00 C ATOM 769 CD PRO A 48 11.257 0.611 -5.120 1.00 0.00 C ATOM 0 HA PRO A 48 8.136 0.178 -6.190 1.00 0.00 H new ATOM 0 HB2 PRO A 48 9.718 -2.090 -6.064 1.00 0.00 H new ATOM 0 HB3 PRO A 48 9.815 -0.967 -7.406 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.772 -1.466 -5.303 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.966 -0.548 -6.783 1.00 0.00 H new ATOM 0 HD2 PRO A 48 11.527 0.454 -4.076 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.942 1.360 -5.517 1.00 0.00 H new ATOM 777 N LEU A 49 7.249 -1.159 -4.325 1.00 0.00 N ATOM 778 CA LEU A 49 6.659 -1.772 -3.096 1.00 0.00 C ATOM 779 C LEU A 49 7.476 -2.991 -2.652 1.00 0.00 C ATOM 780 O LEU A 49 7.167 -3.616 -1.659 1.00 0.00 O ATOM 781 CB LEU A 49 5.244 -2.206 -3.492 1.00 0.00 C ATOM 782 CG LEU A 49 4.606 -1.155 -4.402 1.00 0.00 C ATOM 783 CD1 LEU A 49 4.456 -1.731 -5.812 1.00 0.00 C ATOM 784 CD2 LEU A 49 3.226 -0.781 -3.859 1.00 0.00 C ATOM 0 H LEU A 49 6.625 -1.113 -5.131 1.00 0.00 H new ATOM 0 HA LEU A 49 6.655 -1.069 -2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.280 -3.168 -4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.634 -2.343 -2.599 1.00 0.00 H new ATOM 0 HG LEU A 49 5.238 -0.268 -4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.002 -0.985 -6.463 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.438 -2.002 -6.201 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.822 -2.617 -5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.771 -0.032 -4.507 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.594 -1.668 -3.830 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.329 -0.376 -2.852 1.00 0.00 H new ATOM 796 N GLU A 50 8.523 -3.326 -3.358 1.00 0.00 N ATOM 797 CA GLU A 50 9.344 -4.496 -2.938 1.00 0.00 C ATOM 798 C GLU A 50 9.892 -4.241 -1.538 1.00 0.00 C ATOM 799 O GLU A 50 9.847 -5.088 -0.669 1.00 0.00 O ATOM 800 CB GLU A 50 10.481 -4.593 -3.956 1.00 0.00 C ATOM 801 CG GLU A 50 11.419 -3.392 -3.821 1.00 0.00 C ATOM 802 CD GLU A 50 12.553 -3.519 -4.840 1.00 0.00 C ATOM 803 OE1 GLU A 50 12.470 -4.396 -5.684 1.00 0.00 O ATOM 804 OE2 GLU A 50 13.486 -2.737 -4.759 1.00 0.00 O ATOM 0 H GLU A 50 8.842 -2.845 -4.199 1.00 0.00 H new ATOM 0 HA GLU A 50 8.769 -5.422 -2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.038 -5.517 -3.802 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.072 -4.632 -4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.869 -2.466 -3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.826 -3.345 -2.811 1.00 0.00 H new ATOM 811 N ILE A 51 10.400 -3.067 -1.325 1.00 0.00 N ATOM 812 CA ILE A 51 10.952 -2.711 0.011 1.00 0.00 C ATOM 813 C ILE A 51 9.821 -2.614 1.034 1.00 0.00 C ATOM 814 O ILE A 51 9.965 -2.999 2.177 1.00 0.00 O ATOM 815 CB ILE A 51 11.602 -1.346 -0.189 1.00 0.00 C ATOM 816 CG1 ILE A 51 12.892 -1.516 -0.988 1.00 0.00 C ATOM 817 CG2 ILE A 51 11.926 -0.729 1.173 1.00 0.00 C ATOM 818 CD1 ILE A 51 13.393 -0.146 -1.442 1.00 0.00 C ATOM 0 H ILE A 51 10.459 -2.328 -2.025 1.00 0.00 H new ATOM 0 HA ILE A 51 11.659 -3.454 0.382 1.00 0.00 H new ATOM 0 HB ILE A 51 10.918 -0.692 -0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 51 13.649 -2.008 -0.377 1.00 0.00 H new ATOM 0 HG13 ILE A 51 12.715 -2.156 -1.853 1.00 0.00 H new ATOM 0 HG21 ILE A 51 12.391 0.247 1.029 1.00 0.00 H new ATOM 0 HG22 ILE A 51 11.007 -0.612 1.747 1.00 0.00 H new ATOM 0 HG23 ILE A 51 12.612 -1.381 1.714 1.00 0.00 H new ATOM 0 HD11 ILE A 51 14.314 -0.266 -2.013 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.637 0.329 -2.068 1.00 0.00 H new ATOM 0 HD13 ILE A 51 13.586 0.478 -0.570 1.00 0.00 H new ATOM 830 N MET A 52 8.693 -2.103 0.626 1.00 0.00 N ATOM 831 CA MET A 52 7.549 -1.985 1.574 1.00 0.00 C ATOM 832 C MET A 52 6.867 -3.344 1.761 1.00 0.00 C ATOM 833 O MET A 52 6.548 -3.743 2.862 1.00 0.00 O ATOM 834 CB MET A 52 6.595 -0.988 0.914 1.00 0.00 C ATOM 835 CG MET A 52 7.345 0.314 0.623 1.00 0.00 C ATOM 836 SD MET A 52 6.362 1.717 1.204 1.00 0.00 S ATOM 837 CE MET A 52 7.611 2.438 2.297 1.00 0.00 C ATOM 0 H MET A 52 8.514 -1.763 -0.319 1.00 0.00 H new ATOM 0 HA MET A 52 7.864 -1.656 2.564 1.00 0.00 H new ATOM 0 HB2 MET A 52 6.197 -1.406 -0.011 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.745 -0.793 1.568 1.00 0.00 H new ATOM 0 HG2 MET A 52 8.316 0.306 1.119 1.00 0.00 H new ATOM 0 HG3 MET A 52 7.534 0.406 -0.447 1.00 0.00 H new ATOM 0 HE1 MET A 52 7.378 3.488 2.474 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.616 1.903 3.247 1.00 0.00 H new ATOM 0 HE3 MET A 52 8.593 2.358 1.830 1.00 0.00 H new ATOM 847 N ILE A 53 6.628 -4.053 0.690 1.00 0.00 N ATOM 848 CA ILE A 53 5.952 -5.379 0.810 1.00 0.00 C ATOM 849 C ILE A 53 6.857 -6.389 1.517 1.00 0.00 C ATOM 850 O ILE A 53 6.470 -7.516 1.757 1.00 0.00 O ATOM 851 CB ILE A 53 5.669 -5.824 -0.625 1.00 0.00 C ATOM 852 CG1 ILE A 53 6.991 -6.101 -1.347 1.00 0.00 C ATOM 853 CG2 ILE A 53 4.905 -4.721 -1.360 1.00 0.00 C ATOM 854 CD1 ILE A 53 7.133 -7.604 -1.593 1.00 0.00 C ATOM 0 H ILE A 53 6.871 -3.773 -0.260 1.00 0.00 H new ATOM 0 HA ILE A 53 5.039 -5.312 1.401 1.00 0.00 H new ATOM 0 HB ILE A 53 5.068 -6.733 -0.611 1.00 0.00 H new ATOM 0 HG12 ILE A 53 7.020 -5.562 -2.294 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.827 -5.739 -0.749 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.703 -5.038 -2.383 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.963 -4.527 -0.847 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.504 -3.811 -1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 53 8.074 -7.801 -2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.123 -8.131 -0.639 1.00 0.00 H new ATOM 0 HD13 ILE A 53 6.303 -7.952 -2.209 1.00 0.00 H new ATOM 866 N LYS A 54 8.054 -6.004 1.862 1.00 0.00 N ATOM 867 CA LYS A 54 8.964 -6.952 2.562 1.00 0.00 C ATOM 868 C LYS A 54 9.357 -6.378 3.926 1.00 0.00 C ATOM 869 O LYS A 54 9.893 -7.066 4.772 1.00 0.00 O ATOM 870 CB LYS A 54 10.189 -7.073 1.654 1.00 0.00 C ATOM 871 CG LYS A 54 11.036 -5.804 1.764 1.00 0.00 C ATOM 872 CD LYS A 54 12.294 -6.100 2.583 1.00 0.00 C ATOM 873 CE LYS A 54 12.409 -5.088 3.725 1.00 0.00 C ATOM 874 NZ LYS A 54 13.864 -4.779 3.818 1.00 0.00 N ATOM 0 H LYS A 54 8.441 -5.076 1.690 1.00 0.00 H new ATOM 0 HA LYS A 54 8.500 -7.922 2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 54 10.781 -7.943 1.938 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.875 -7.225 0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 54 11.311 -5.450 0.770 1.00 0.00 H new ATOM 0 HG3 LYS A 54 10.460 -5.009 2.237 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.250 -7.113 2.983 1.00 0.00 H new ATOM 0 HD3 LYS A 54 13.177 -6.047 1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 54 11.827 -4.190 3.517 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.033 -5.503 4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 14.025 -4.090 4.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 14.392 -5.651 4.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.192 -4.379 2.916 1.00 0.00 H new ATOM 888 N PHE A 55 9.087 -5.118 4.143 1.00 0.00 N ATOM 889 CA PHE A 55 9.436 -4.493 5.449 1.00 0.00 C ATOM 890 C PHE A 55 8.580 -5.094 6.567 1.00 0.00 C ATOM 891 O PHE A 55 7.427 -5.420 6.370 1.00 0.00 O ATOM 892 CB PHE A 55 9.121 -3.007 5.271 1.00 0.00 C ATOM 893 CG PHE A 55 10.406 -2.214 5.268 1.00 0.00 C ATOM 894 CD1 PHE A 55 11.322 -2.365 6.316 1.00 0.00 C ATOM 895 CD2 PHE A 55 10.682 -1.327 4.219 1.00 0.00 C ATOM 896 CE1 PHE A 55 12.514 -1.630 6.314 1.00 0.00 C ATOM 897 CE2 PHE A 55 11.874 -0.593 4.218 1.00 0.00 C ATOM 898 CZ PHE A 55 12.790 -0.745 5.266 1.00 0.00 C ATOM 0 H PHE A 55 8.639 -4.495 3.470 1.00 0.00 H new ATOM 0 HA PHE A 55 10.478 -4.659 5.723 1.00 0.00 H new ATOM 0 HB2 PHE A 55 8.582 -2.848 4.337 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.472 -2.663 6.076 1.00 0.00 H new ATOM 0 HD1 PHE A 55 11.109 -3.048 7.125 1.00 0.00 H new ATOM 0 HD2 PHE A 55 9.975 -1.210 3.411 1.00 0.00 H new ATOM 0 HE1 PHE A 55 13.221 -1.746 7.122 1.00 0.00 H new ATOM 0 HE2 PHE A 55 12.087 0.090 3.409 1.00 0.00 H new ATOM 0 HZ PHE A 55 13.710 -0.179 5.265 1.00 0.00 H new ATOM 908 N ASN A 56 9.136 -5.246 7.737 1.00 0.00 N ATOM 909 CA ASN A 56 8.354 -5.830 8.865 1.00 0.00 C ATOM 910 C ASN A 56 7.153 -4.942 9.199 1.00 0.00 C ATOM 911 O ASN A 56 6.185 -5.386 9.783 1.00 0.00 O ATOM 912 CB ASN A 56 9.330 -5.876 10.041 1.00 0.00 C ATOM 913 CG ASN A 56 10.669 -6.449 9.573 1.00 0.00 C ATOM 914 OD1 ASN A 56 11.520 -5.725 9.097 1.00 0.00 O ATOM 915 ND2 ASN A 56 10.893 -7.730 9.688 1.00 0.00 N ATOM 0 H ASN A 56 10.098 -4.991 7.962 1.00 0.00 H new ATOM 0 HA ASN A 56 7.958 -6.816 8.623 1.00 0.00 H new ATOM 0 HB2 ASN A 56 9.473 -4.875 10.447 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.920 -6.490 10.843 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.782 -8.122 9.378 1.00 0.00 H new ATOM 0 HD22 ASN A 56 10.179 -8.339 10.088 1.00 0.00 H new ATOM 922 N ARG A 57 7.208 -3.690 8.836 1.00 0.00 N ATOM 923 CA ARG A 57 6.068 -2.776 9.138 1.00 0.00 C ATOM 924 C ARG A 57 4.896 -3.050 8.189 1.00 0.00 C ATOM 925 O ARG A 57 3.746 -2.881 8.545 1.00 0.00 O ATOM 926 CB ARG A 57 6.618 -1.367 8.914 1.00 0.00 C ATOM 927 CG ARG A 57 5.961 -0.398 9.898 1.00 0.00 C ATOM 928 CD ARG A 57 7.035 0.240 10.782 1.00 0.00 C ATOM 929 NE ARG A 57 7.312 -0.772 11.840 1.00 0.00 N ATOM 930 CZ ARG A 57 6.473 -0.933 12.826 1.00 0.00 C ATOM 931 NH1 ARG A 57 5.389 -0.207 12.888 1.00 0.00 N ATOM 932 NH2 ARG A 57 6.716 -1.820 13.751 1.00 0.00 N ATOM 0 H ARG A 57 7.991 -3.260 8.344 1.00 0.00 H new ATOM 0 HA ARG A 57 5.692 -2.912 10.152 1.00 0.00 H new ATOM 0 HB2 ARG A 57 7.699 -1.362 9.050 1.00 0.00 H new ATOM 0 HB3 ARG A 57 6.424 -1.048 7.890 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.416 0.374 9.355 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.234 -0.927 10.515 1.00 0.00 H new ATOM 0 HD2 ARG A 57 7.934 0.469 10.209 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.685 1.178 11.214 1.00 0.00 H new ATOM 0 HE ARG A 57 8.158 -1.339 11.793 1.00 0.00 H new ATOM 0 HH11 ARG A 57 5.198 0.487 12.165 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.734 -0.334 13.659 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.562 -2.388 13.703 1.00 0.00 H new ATOM 0 HH22 ARG A 57 6.060 -1.946 14.522 1.00 0.00 H new ATOM 946 N LEU A 58 5.177 -3.471 6.986 1.00 0.00 N ATOM 947 CA LEU A 58 4.075 -3.751 6.020 1.00 0.00 C ATOM 948 C LEU A 58 3.989 -5.253 5.733 1.00 0.00 C ATOM 949 O LEU A 58 2.918 -5.824 5.684 1.00 0.00 O ATOM 950 CB LEU A 58 4.453 -2.982 4.753 1.00 0.00 C ATOM 951 CG LEU A 58 3.632 -3.502 3.572 1.00 0.00 C ATOM 952 CD1 LEU A 58 2.146 -3.253 3.834 1.00 0.00 C ATOM 953 CD2 LEU A 58 4.054 -2.768 2.298 1.00 0.00 C ATOM 0 H LEU A 58 6.119 -3.633 6.630 1.00 0.00 H new ATOM 0 HA LEU A 58 3.102 -3.447 6.406 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.271 -1.917 4.894 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.517 -3.099 4.548 1.00 0.00 H new ATOM 0 HG LEU A 58 3.805 -4.571 3.452 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.561 -3.624 2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.844 -3.774 4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.972 -2.184 3.954 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.470 -3.137 1.455 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.880 -1.699 2.419 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.113 -2.944 2.110 1.00 0.00 H new ATOM 965 N ASN A 59 5.108 -5.897 5.544 1.00 0.00 N ATOM 966 CA ASN A 59 5.083 -7.361 5.261 1.00 0.00 C ATOM 967 C ASN A 59 4.379 -8.107 6.396 1.00 0.00 C ATOM 968 O ASN A 59 3.891 -9.207 6.222 1.00 0.00 O ATOM 969 CB ASN A 59 6.553 -7.777 5.178 1.00 0.00 C ATOM 970 CG ASN A 59 6.648 -9.297 5.048 1.00 0.00 C ATOM 971 OD1 ASN A 59 6.396 -10.017 5.993 1.00 0.00 O ATOM 972 ND2 ASN A 59 7.003 -9.821 3.906 1.00 0.00 N ATOM 0 H ASN A 59 6.036 -5.475 5.573 1.00 0.00 H new ATOM 0 HA ASN A 59 4.542 -7.593 4.344 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.029 -7.298 4.323 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.087 -7.444 6.068 1.00 0.00 H new ATOM 0 HD21 ASN A 59 7.068 -10.834 3.808 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.215 -9.217 3.112 1.00 0.00 H new ATOM 979 N ARG A 60 4.320 -7.517 7.559 1.00 0.00 N ATOM 980 CA ARG A 60 3.645 -8.192 8.705 1.00 0.00 C ATOM 981 C ARG A 60 2.136 -8.275 8.459 1.00 0.00 C ATOM 982 O ARG A 60 1.405 -8.869 9.226 1.00 0.00 O ATOM 983 CB ARG A 60 3.944 -7.307 9.916 1.00 0.00 C ATOM 984 CG ARG A 60 3.407 -7.976 11.182 1.00 0.00 C ATOM 985 CD ARG A 60 4.506 -8.014 12.246 1.00 0.00 C ATOM 986 NE ARG A 60 5.285 -9.247 11.950 1.00 0.00 N ATOM 987 CZ ARG A 60 6.481 -9.401 12.450 1.00 0.00 C ATOM 988 NH1 ARG A 60 6.996 -8.473 13.210 1.00 0.00 N ATOM 989 NH2 ARG A 60 7.164 -10.484 12.189 1.00 0.00 N ATOM 0 H ARG A 60 4.710 -6.597 7.765 1.00 0.00 H new ATOM 0 HA ARG A 60 3.998 -9.213 8.848 1.00 0.00 H new ATOM 0 HB2 ARG A 60 5.018 -7.145 10.005 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.484 -6.327 9.786 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.542 -7.428 11.557 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.070 -8.988 10.956 1.00 0.00 H new ATOM 0 HD2 ARG A 60 5.137 -7.127 12.194 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.083 -8.046 13.250 1.00 0.00 H new ATOM 0 HE ARG A 60 4.884 -9.973 11.356 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.464 -7.627 13.413 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.931 -8.594 13.600 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.763 -11.209 11.594 1.00 0.00 H new ATOM 0 HH22 ARG A 60 8.098 -10.604 12.580 1.00 0.00 H new ATOM 1003 N LEU A 61 1.664 -7.682 7.395 1.00 0.00 N ATOM 1004 CA LEU A 61 0.203 -7.729 7.104 1.00 0.00 C ATOM 1005 C LEU A 61 -0.037 -8.125 5.644 1.00 0.00 C ATOM 1006 O LEU A 61 -0.315 -9.268 5.339 1.00 0.00 O ATOM 1007 CB LEU A 61 -0.298 -6.307 7.362 1.00 0.00 C ATOM 1008 CG LEU A 61 -0.475 -6.093 8.866 1.00 0.00 C ATOM 1009 CD1 LEU A 61 0.720 -5.312 9.416 1.00 0.00 C ATOM 1010 CD2 LEU A 61 -1.760 -5.301 9.119 1.00 0.00 C ATOM 0 H LEU A 61 2.226 -7.168 6.716 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.316 -8.464 7.720 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.411 -5.582 6.962 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -1.245 -6.145 6.847 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.537 -7.060 9.365 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.593 -5.160 10.488 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.636 -5.874 9.235 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.783 -4.345 8.917 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.888 -5.148 10.191 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.696 -4.335 8.619 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.613 -5.856 8.728 1.00 0.00 H new ATOM 1022 N THR A 62 0.065 -7.190 4.740 1.00 0.00 N ATOM 1023 CA THR A 62 -0.160 -7.515 3.301 1.00 0.00 C ATOM 1024 C THR A 62 1.161 -7.456 2.529 1.00 0.00 C ATOM 1025 O THR A 62 2.021 -6.644 2.810 1.00 0.00 O ATOM 1026 CB THR A 62 -1.124 -6.440 2.799 1.00 0.00 C ATOM 1027 OG1 THR A 62 -2.390 -6.615 3.419 1.00 0.00 O ATOM 1028 CG2 THR A 62 -1.277 -6.554 1.282 1.00 0.00 C ATOM 0 H THR A 62 0.294 -6.215 4.934 1.00 0.00 H new ATOM 0 HA THR A 62 -0.561 -8.519 3.163 1.00 0.00 H new ATOM 0 HB THR A 62 -0.730 -5.455 3.048 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.900 -5.780 3.364 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.965 -5.786 0.927 1.00 0.00 H new ATOM 0 HG22 THR A 62 -0.305 -6.418 0.807 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.670 -7.539 1.029 1.00 0.00 H new ATOM 1036 N THR A 63 1.329 -8.312 1.558 1.00 0.00 N ATOM 1037 CA THR A 63 2.592 -8.306 0.767 1.00 0.00 C ATOM 1038 C THR A 63 2.294 -8.584 -0.710 1.00 0.00 C ATOM 1039 O THR A 63 3.190 -8.765 -1.510 1.00 0.00 O ATOM 1040 CB THR A 63 3.437 -9.433 1.363 1.00 0.00 C ATOM 1041 OG1 THR A 63 2.583 -10.388 1.976 1.00 0.00 O ATOM 1042 CG2 THR A 63 4.396 -8.858 2.406 1.00 0.00 C ATOM 0 H THR A 63 0.646 -9.016 1.278 1.00 0.00 H new ATOM 0 HA THR A 63 3.103 -7.344 0.812 1.00 0.00 H new ATOM 0 HB THR A 63 4.012 -9.914 0.572 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.122 -11.112 2.357 1.00 0.00 H new ATOM 0 HG21 THR A 63 4.997 -9.662 2.830 1.00 0.00 H new ATOM 0 HG22 THR A 63 5.051 -8.126 1.934 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.824 -8.376 3.199 1.00 0.00 H new ATOM 1050 N ASP A 64 1.042 -8.619 -1.076 1.00 0.00 N ATOM 1051 CA ASP A 64 0.689 -8.888 -2.500 1.00 0.00 C ATOM 1052 C ASP A 64 0.719 -7.589 -3.310 1.00 0.00 C ATOM 1053 O ASP A 64 -0.176 -6.773 -3.224 1.00 0.00 O ATOM 1054 CB ASP A 64 -0.729 -9.460 -2.456 1.00 0.00 C ATOM 1055 CG ASP A 64 -0.664 -10.987 -2.427 1.00 0.00 C ATOM 1056 OD1 ASP A 64 0.026 -11.548 -3.262 1.00 0.00 O ATOM 1057 OD2 ASP A 64 -1.307 -11.572 -1.570 1.00 0.00 O ATOM 0 H ASP A 64 0.249 -8.473 -0.452 1.00 0.00 H new ATOM 0 HA ASP A 64 1.391 -9.573 -2.976 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -1.254 -9.091 -1.575 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.294 -9.126 -3.326 1.00 0.00 H new ATOM 1062 N PHE A 65 1.746 -7.392 -4.092 1.00 0.00 N ATOM 1063 CA PHE A 65 1.843 -6.148 -4.909 1.00 0.00 C ATOM 1064 C PHE A 65 0.461 -5.730 -5.416 1.00 0.00 C ATOM 1065 O PHE A 65 0.092 -4.575 -5.348 1.00 0.00 O ATOM 1066 CB PHE A 65 2.748 -6.516 -6.085 1.00 0.00 C ATOM 1067 CG PHE A 65 4.190 -6.501 -5.640 1.00 0.00 C ATOM 1068 CD1 PHE A 65 4.670 -5.451 -4.846 1.00 0.00 C ATOM 1069 CD2 PHE A 65 5.049 -7.536 -6.026 1.00 0.00 C ATOM 1070 CE1 PHE A 65 6.010 -5.441 -4.440 1.00 0.00 C ATOM 1071 CE2 PHE A 65 6.387 -7.525 -5.618 1.00 0.00 C ATOM 1072 CZ PHE A 65 6.868 -6.477 -4.825 1.00 0.00 C ATOM 0 H PHE A 65 2.525 -8.042 -4.201 1.00 0.00 H new ATOM 0 HA PHE A 65 2.236 -5.311 -4.332 1.00 0.00 H new ATOM 0 HB2 PHE A 65 2.484 -7.503 -6.464 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.602 -5.811 -6.903 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.008 -4.651 -4.548 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.679 -8.344 -6.639 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.382 -4.632 -3.829 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.049 -8.325 -5.915 1.00 0.00 H new ATOM 0 HZ PHE A 65 7.901 -6.468 -4.510 1.00 0.00 H new ATOM 1082 N ASN A 66 -0.304 -6.655 -5.928 1.00 0.00 N ATOM 1083 CA ASN A 66 -1.658 -6.299 -6.444 1.00 0.00 C ATOM 1084 C ASN A 66 -2.574 -5.866 -5.295 1.00 0.00 C ATOM 1085 O ASN A 66 -3.308 -4.904 -5.406 1.00 0.00 O ATOM 1086 CB ASN A 66 -2.183 -7.580 -7.091 1.00 0.00 C ATOM 1087 CG ASN A 66 -2.178 -7.423 -8.613 1.00 0.00 C ATOM 1088 OD1 ASN A 66 -1.806 -8.331 -9.329 1.00 0.00 O ATOM 1089 ND2 ASN A 66 -2.581 -6.299 -9.142 1.00 0.00 N ATOM 0 H ASN A 66 -0.052 -7.640 -6.012 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.622 -5.468 -7.148 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -1.562 -8.428 -6.800 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -3.193 -7.790 -6.740 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.583 -6.184 -10.156 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.894 -5.536 -8.542 1.00 0.00 H new ATOM 1096 N VAL A 67 -2.536 -6.561 -4.192 1.00 0.00 N ATOM 1097 CA VAL A 67 -3.406 -6.178 -3.040 1.00 0.00 C ATOM 1098 C VAL A 67 -2.901 -4.879 -2.409 1.00 0.00 C ATOM 1099 O VAL A 67 -3.664 -3.985 -2.102 1.00 0.00 O ATOM 1100 CB VAL A 67 -3.287 -7.337 -2.051 1.00 0.00 C ATOM 1101 CG1 VAL A 67 -4.110 -7.026 -0.799 1.00 0.00 C ATOM 1102 CG2 VAL A 67 -3.814 -8.618 -2.701 1.00 0.00 C ATOM 0 H VAL A 67 -1.942 -7.376 -4.037 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.439 -6.005 -3.341 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.241 -7.472 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.025 -7.852 -0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.736 -6.113 -0.335 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -5.156 -6.891 -1.075 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.729 -9.445 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.860 -8.482 -2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.229 -8.841 -3.593 1.00 0.00 H new ATOM 1112 N ILE A 68 -1.616 -4.773 -2.214 1.00 0.00 N ATOM 1113 CA ILE A 68 -1.044 -3.539 -1.601 1.00 0.00 C ATOM 1114 C ILE A 68 -1.197 -2.356 -2.550 1.00 0.00 C ATOM 1115 O ILE A 68 -1.608 -1.279 -2.165 1.00 0.00 O ATOM 1116 CB ILE A 68 0.432 -3.866 -1.401 1.00 0.00 C ATOM 1117 CG1 ILE A 68 1.118 -2.720 -0.649 1.00 0.00 C ATOM 1118 CG2 ILE A 68 1.108 -4.076 -2.758 1.00 0.00 C ATOM 1119 CD1 ILE A 68 1.743 -1.741 -1.649 1.00 0.00 C ATOM 0 H ILE A 68 -0.933 -5.491 -2.454 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.543 -3.265 -0.671 1.00 0.00 H new ATOM 0 HB ILE A 68 0.519 -4.782 -0.816 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.394 -2.200 -0.022 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.887 -3.117 0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.162 -4.309 -2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 68 0.625 -4.901 -3.281 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.019 -3.167 -3.353 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.229 -0.929 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.481 -2.264 -2.258 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.965 -1.333 -2.294 1.00 0.00 H new ATOM 1131 N VAL A 69 -0.860 -2.553 -3.787 1.00 0.00 N ATOM 1132 CA VAL A 69 -0.970 -1.446 -4.779 1.00 0.00 C ATOM 1133 C VAL A 69 -2.436 -1.066 -5.001 1.00 0.00 C ATOM 1134 O VAL A 69 -2.760 0.086 -5.208 1.00 0.00 O ATOM 1135 CB VAL A 69 -0.352 -1.993 -6.060 1.00 0.00 C ATOM 1136 CG1 VAL A 69 -1.303 -3.011 -6.691 1.00 0.00 C ATOM 1137 CG2 VAL A 69 -0.110 -0.842 -7.037 1.00 0.00 C ATOM 0 H VAL A 69 -0.511 -3.436 -4.160 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.463 -0.542 -4.440 1.00 0.00 H new ATOM 0 HB VAL A 69 0.596 -2.480 -5.830 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.861 -3.402 -7.607 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.475 -3.830 -5.992 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.252 -2.527 -6.924 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.332 -1.230 -7.954 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.058 -0.356 -7.268 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.568 -0.118 -6.586 1.00 0.00 H new ATOM 1147 N GLU A 70 -3.332 -2.016 -4.956 1.00 0.00 N ATOM 1148 CA GLU A 70 -4.768 -1.674 -5.162 1.00 0.00 C ATOM 1149 C GLU A 70 -5.189 -0.644 -4.116 1.00 0.00 C ATOM 1150 O GLU A 70 -5.748 0.388 -4.433 1.00 0.00 O ATOM 1151 CB GLU A 70 -5.528 -2.986 -4.964 1.00 0.00 C ATOM 1152 CG GLU A 70 -6.152 -3.420 -6.292 1.00 0.00 C ATOM 1153 CD GLU A 70 -5.137 -4.240 -7.091 1.00 0.00 C ATOM 1154 OE1 GLU A 70 -4.197 -3.650 -7.597 1.00 0.00 O ATOM 1155 OE2 GLU A 70 -5.315 -5.443 -7.180 1.00 0.00 O ATOM 0 H GLU A 70 -3.135 -3.002 -4.788 1.00 0.00 H new ATOM 0 HA GLU A 70 -4.965 -1.248 -6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.852 -3.759 -4.598 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.304 -2.859 -4.210 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.049 -4.012 -6.108 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.459 -2.545 -6.864 1.00 0.00 H new ATOM 1162 N ALA A 71 -4.898 -0.904 -2.871 1.00 0.00 N ATOM 1163 CA ALA A 71 -5.250 0.072 -1.804 1.00 0.00 C ATOM 1164 C ALA A 71 -4.376 1.319 -1.959 1.00 0.00 C ATOM 1165 O ALA A 71 -4.789 2.427 -1.678 1.00 0.00 O ATOM 1166 CB ALA A 71 -4.935 -0.646 -0.492 1.00 0.00 C ATOM 0 H ALA A 71 -4.431 -1.751 -2.547 1.00 0.00 H new ATOM 0 HA ALA A 71 -6.291 0.391 -1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.168 0.010 0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -5.535 -1.553 -0.421 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.877 -0.907 -0.465 1.00 0.00 H new ATOM 1172 N LEU A 72 -3.167 1.130 -2.410 1.00 0.00 N ATOM 1173 CA LEU A 72 -2.237 2.279 -2.600 1.00 0.00 C ATOM 1174 C LEU A 72 -2.666 3.104 -3.818 1.00 0.00 C ATOM 1175 O LEU A 72 -2.568 4.315 -3.824 1.00 0.00 O ATOM 1176 CB LEU A 72 -0.868 1.615 -2.820 1.00 0.00 C ATOM 1177 CG LEU A 72 -0.007 2.434 -3.788 1.00 0.00 C ATOM 1178 CD1 LEU A 72 -0.516 2.253 -5.219 1.00 0.00 C ATOM 1179 CD2 LEU A 72 -0.065 3.915 -3.403 1.00 0.00 C ATOM 0 H LEU A 72 -2.780 0.219 -2.658 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.223 2.970 -1.757 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.352 1.514 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.008 0.609 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 72 1.024 2.086 -3.730 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.101 2.838 -5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.462 1.200 -5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.550 2.592 -5.283 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.548 4.495 -4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.096 4.264 -3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.312 4.042 -2.388 1.00 0.00 H new ATOM 1191 N SER A 73 -3.138 2.458 -4.848 1.00 0.00 N ATOM 1192 CA SER A 73 -3.571 3.204 -6.065 1.00 0.00 C ATOM 1193 C SER A 73 -4.882 3.948 -5.796 1.00 0.00 C ATOM 1194 O SER A 73 -5.236 4.874 -6.497 1.00 0.00 O ATOM 1195 CB SER A 73 -3.772 2.133 -7.136 1.00 0.00 C ATOM 1196 OG SER A 73 -4.959 2.416 -7.865 1.00 0.00 O ATOM 0 H SER A 73 -3.243 1.445 -4.900 1.00 0.00 H new ATOM 0 HA SER A 73 -2.840 3.953 -6.369 1.00 0.00 H new ATOM 0 HB2 SER A 73 -2.915 2.110 -7.809 1.00 0.00 H new ATOM 0 HB3 SER A 73 -3.841 1.148 -6.674 1.00 0.00 H new ATOM 0 HG SER A 73 -5.091 1.732 -8.554 1.00 0.00 H new ATOM 1301 N MET A 80 1.402 11.295 -1.570 1.00 0.00 N ATOM 1302 CA MET A 80 2.232 10.335 -2.352 1.00 0.00 C ATOM 1303 C MET A 80 1.666 10.161 -3.765 1.00 0.00 C ATOM 1304 O MET A 80 0.560 10.570 -4.057 1.00 0.00 O ATOM 1305 CB MET A 80 2.149 9.020 -1.576 1.00 0.00 C ATOM 1306 CG MET A 80 2.590 7.865 -2.477 1.00 0.00 C ATOM 1307 SD MET A 80 2.823 6.376 -1.478 1.00 0.00 S ATOM 1308 CE MET A 80 4.589 6.601 -1.155 1.00 0.00 C ATOM 0 HA MET A 80 3.259 10.680 -2.467 1.00 0.00 H new ATOM 0 HB2 MET A 80 2.784 9.067 -0.691 1.00 0.00 H new ATOM 0 HB3 MET A 80 1.129 8.855 -1.228 1.00 0.00 H new ATOM 0 HG2 MET A 80 1.841 7.685 -3.248 1.00 0.00 H new ATOM 0 HG3 MET A 80 3.518 8.122 -2.988 1.00 0.00 H new ATOM 0 HE1 MET A 80 4.970 5.743 -0.601 1.00 0.00 H new ATOM 0 HE2 MET A 80 5.124 6.689 -2.101 1.00 0.00 H new ATOM 0 HE3 MET A 80 4.739 7.507 -0.568 1.00 0.00 H new ATOM 1318 N GLU A 81 2.418 9.551 -4.639 1.00 0.00 N ATOM 1319 CA GLU A 81 1.931 9.342 -6.031 1.00 0.00 C ATOM 1320 C GLU A 81 2.377 7.968 -6.540 1.00 0.00 C ATOM 1321 O GLU A 81 3.341 7.404 -6.063 1.00 0.00 O ATOM 1322 CB GLU A 81 2.581 10.456 -6.852 1.00 0.00 C ATOM 1323 CG GLU A 81 1.539 11.529 -7.173 1.00 0.00 C ATOM 1324 CD GLU A 81 0.688 11.075 -8.361 1.00 0.00 C ATOM 1325 OE1 GLU A 81 1.230 10.425 -9.238 1.00 0.00 O ATOM 1326 OE2 GLU A 81 -0.491 11.388 -8.372 1.00 0.00 O ATOM 0 H GLU A 81 3.352 9.187 -4.448 1.00 0.00 H new ATOM 0 HA GLU A 81 0.844 9.371 -6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.411 10.894 -6.297 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.995 10.048 -7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.905 11.706 -6.304 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.033 12.473 -7.405 1.00 0.00 H new ATOM 1333 N ILE A 82 1.682 7.423 -7.500 1.00 0.00 N ATOM 1334 CA ILE A 82 2.071 6.085 -8.032 1.00 0.00 C ATOM 1335 C ILE A 82 2.409 6.180 -9.521 1.00 0.00 C ATOM 1336 O ILE A 82 1.799 6.925 -10.262 1.00 0.00 O ATOM 1337 CB ILE A 82 0.846 5.200 -7.812 1.00 0.00 C ATOM 1338 CG1 ILE A 82 0.402 5.303 -6.352 1.00 0.00 C ATOM 1339 CG2 ILE A 82 1.204 3.748 -8.134 1.00 0.00 C ATOM 1340 CD1 ILE A 82 -0.944 6.025 -6.277 1.00 0.00 C ATOM 0 H ILE A 82 0.863 7.844 -7.939 1.00 0.00 H new ATOM 0 HA ILE A 82 2.956 5.686 -7.536 1.00 0.00 H new ATOM 0 HB ILE A 82 0.036 5.528 -8.464 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.317 4.308 -5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.149 5.843 -5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 82 0.331 3.115 -7.978 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.524 3.674 -9.173 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.012 3.419 -7.481 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.260 6.098 -5.236 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.844 7.026 -6.697 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.689 5.466 -6.844 1.00 0.00 H new ATOM 1352 N SER A 83 3.383 5.433 -9.962 1.00 0.00 N ATOM 1353 CA SER A 83 3.770 5.479 -11.400 1.00 0.00 C ATOM 1354 C SER A 83 2.639 4.942 -12.281 1.00 0.00 C ATOM 1355 O SER A 83 1.527 4.744 -11.833 1.00 0.00 O ATOM 1356 CB SER A 83 5.001 4.584 -11.503 1.00 0.00 C ATOM 1357 OG SER A 83 4.602 3.223 -11.403 1.00 0.00 O ATOM 0 H SER A 83 3.929 4.791 -9.387 1.00 0.00 H new ATOM 0 HA SER A 83 3.971 6.496 -11.738 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.512 4.756 -12.450 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.709 4.827 -10.710 1.00 0.00 H new ATOM 0 HG SER A 83 5.220 2.662 -11.917 1.00 0.00 H new ATOM 1363 N GLU A 84 2.916 4.717 -13.537 1.00 0.00 N ATOM 1364 CA GLU A 84 1.862 4.203 -14.459 1.00 0.00 C ATOM 1365 C GLU A 84 1.735 2.680 -14.354 1.00 0.00 C ATOM 1366 O GLU A 84 0.652 2.134 -14.430 1.00 0.00 O ATOM 1367 CB GLU A 84 2.341 4.597 -15.857 1.00 0.00 C ATOM 1368 CG GLU A 84 1.986 6.059 -16.130 1.00 0.00 C ATOM 1369 CD GLU A 84 2.370 6.917 -14.922 1.00 0.00 C ATOM 1370 OE1 GLU A 84 3.555 7.130 -14.724 1.00 0.00 O ATOM 1371 OE2 GLU A 84 1.473 7.346 -14.216 1.00 0.00 O ATOM 0 H GLU A 84 3.829 4.867 -13.966 1.00 0.00 H new ATOM 0 HA GLU A 84 0.881 4.614 -14.221 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.419 4.453 -15.937 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.877 3.954 -16.605 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.509 6.411 -17.019 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.919 6.153 -16.330 1.00 0.00 H new ATOM 1378 N ASP A 85 2.830 1.986 -14.198 1.00 0.00 N ATOM 1379 CA ASP A 85 2.754 0.496 -14.112 1.00 0.00 C ATOM 1380 C ASP A 85 2.149 0.057 -12.775 1.00 0.00 C ATOM 1381 O ASP A 85 1.776 -1.087 -12.602 1.00 0.00 O ATOM 1382 CB ASP A 85 4.204 0.023 -14.223 1.00 0.00 C ATOM 1383 CG ASP A 85 4.246 -1.331 -14.933 1.00 0.00 C ATOM 1384 OD1 ASP A 85 3.269 -2.056 -14.840 1.00 0.00 O ATOM 1385 OD2 ASP A 85 5.253 -1.620 -15.557 1.00 0.00 O ATOM 0 H ASP A 85 3.768 2.381 -14.127 1.00 0.00 H new ATOM 0 HA ASP A 85 2.120 0.075 -14.892 1.00 0.00 H new ATOM 0 HB2 ASP A 85 4.795 0.754 -14.775 1.00 0.00 H new ATOM 0 HB3 ASP A 85 4.647 -0.061 -13.231 1.00 0.00 H new ATOM 1390 N LYS A 86 2.046 0.949 -11.827 1.00 0.00 N ATOM 1391 CA LYS A 86 1.461 0.567 -10.508 1.00 0.00 C ATOM 1392 C LYS A 86 2.395 -0.397 -9.770 1.00 0.00 C ATOM 1393 O LYS A 86 1.968 -1.399 -9.231 1.00 0.00 O ATOM 1394 CB LYS A 86 0.138 -0.122 -10.845 1.00 0.00 C ATOM 1395 CG LYS A 86 -0.975 0.453 -9.969 1.00 0.00 C ATOM 1396 CD LYS A 86 -1.233 1.909 -10.361 1.00 0.00 C ATOM 1397 CE LYS A 86 -2.697 2.075 -10.777 1.00 0.00 C ATOM 1398 NZ LYS A 86 -2.881 3.542 -10.955 1.00 0.00 N ATOM 0 H LYS A 86 2.340 1.922 -11.907 1.00 0.00 H new ATOM 0 HA LYS A 86 1.318 1.429 -9.857 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -0.102 0.024 -11.898 1.00 0.00 H new ATOM 0 HB3 LYS A 86 0.224 -1.197 -10.683 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.886 -0.134 -10.088 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.693 0.393 -8.918 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -1.005 2.568 -9.523 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -0.576 2.198 -11.181 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.909 1.535 -11.700 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.371 1.682 -10.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -3.862 3.737 -11.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.679 4.029 -10.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -2.231 3.887 -11.690 1.00 0.00 H new ATOM 1412 N THR A 87 3.666 -0.102 -9.741 1.00 0.00 N ATOM 1413 CA THR A 87 4.628 -1.002 -9.035 1.00 0.00 C ATOM 1414 C THR A 87 5.653 -0.170 -8.259 1.00 0.00 C ATOM 1415 O THR A 87 6.720 -0.640 -7.919 1.00 0.00 O ATOM 1416 CB THR A 87 5.313 -1.800 -10.147 1.00 0.00 C ATOM 1417 OG1 THR A 87 6.119 -0.926 -10.925 1.00 0.00 O ATOM 1418 CG2 THR A 87 4.255 -2.451 -11.038 1.00 0.00 C ATOM 0 H THR A 87 4.082 0.722 -10.175 1.00 0.00 H new ATOM 0 HA THR A 87 4.134 -1.653 -8.313 1.00 0.00 H new ATOM 0 HB THR A 87 5.938 -2.576 -9.706 1.00 0.00 H new ATOM 0 HG1 THR A 87 6.560 -1.435 -11.637 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.745 -3.019 -11.829 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.638 -3.121 -10.440 1.00 0.00 H new ATOM 0 HG23 THR A 87 3.627 -1.678 -11.481 1.00 0.00 H new ATOM 1426 N LYS A 88 5.335 1.064 -7.984 1.00 0.00 N ATOM 1427 CA LYS A 88 6.285 1.937 -7.237 1.00 0.00 C ATOM 1428 C LYS A 88 5.536 3.133 -6.643 1.00 0.00 C ATOM 1429 O LYS A 88 4.482 3.512 -7.113 1.00 0.00 O ATOM 1430 CB LYS A 88 7.325 2.387 -8.265 1.00 0.00 C ATOM 1431 CG LYS A 88 6.654 3.207 -9.367 1.00 0.00 C ATOM 1432 CD LYS A 88 7.720 3.705 -10.347 1.00 0.00 C ATOM 1433 CE LYS A 88 8.624 2.540 -10.756 1.00 0.00 C ATOM 1434 NZ LYS A 88 8.777 2.674 -12.231 1.00 0.00 N ATOM 0 H LYS A 88 4.455 1.508 -8.245 1.00 0.00 H new ATOM 0 HA LYS A 88 6.759 1.417 -6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.096 2.982 -7.777 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.820 1.518 -8.698 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.917 2.599 -9.891 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.119 4.052 -8.933 1.00 0.00 H new ATOM 0 HD2 LYS A 88 7.245 4.137 -11.228 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.313 4.494 -9.885 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.589 2.593 -10.252 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.178 1.582 -10.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.385 1.910 -12.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.843 2.613 -12.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 9.210 3.593 -12.453 1.00 0.00 H new ATOM 1448 N ILE A 89 6.075 3.739 -5.619 1.00 0.00 N ATOM 1449 CA ILE A 89 5.400 4.918 -5.005 1.00 0.00 C ATOM 1450 C ILE A 89 6.436 6.012 -4.737 1.00 0.00 C ATOM 1451 O ILE A 89 7.618 5.747 -4.643 1.00 0.00 O ATOM 1452 CB ILE A 89 4.807 4.399 -3.695 1.00 0.00 C ATOM 1453 CG1 ILE A 89 5.882 3.639 -2.913 1.00 0.00 C ATOM 1454 CG2 ILE A 89 3.639 3.459 -4.000 1.00 0.00 C ATOM 1455 CD1 ILE A 89 5.257 3.003 -1.670 1.00 0.00 C ATOM 0 H ILE A 89 6.955 3.468 -5.181 1.00 0.00 H new ATOM 0 HA ILE A 89 4.632 5.348 -5.647 1.00 0.00 H new ATOM 0 HB ILE A 89 4.451 5.240 -3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 89 6.329 2.869 -3.543 1.00 0.00 H new ATOM 0 HG13 ILE A 89 6.684 4.318 -2.623 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.216 3.089 -3.066 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.873 3.999 -4.556 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.995 2.618 -4.596 1.00 0.00 H new ATOM 0 HD11 ILE A 89 6.023 2.462 -1.114 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.831 3.782 -1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.471 2.311 -1.972 1.00 0.00 H new ATOM 1467 N ARG A 90 6.012 7.241 -4.624 1.00 0.00 N ATOM 1468 CA ARG A 90 6.991 8.338 -4.375 1.00 0.00 C ATOM 1469 C ARG A 90 6.342 9.476 -3.586 1.00 0.00 C ATOM 1470 O ARG A 90 5.139 9.639 -3.584 1.00 0.00 O ATOM 1471 CB ARG A 90 7.406 8.823 -5.764 1.00 0.00 C ATOM 1472 CG ARG A 90 6.213 9.486 -6.456 1.00 0.00 C ATOM 1473 CD ARG A 90 6.706 10.646 -7.321 1.00 0.00 C ATOM 1474 NE ARG A 90 5.743 11.754 -7.065 1.00 0.00 N ATOM 1475 CZ ARG A 90 5.766 12.825 -7.810 1.00 0.00 C ATOM 1476 NH1 ARG A 90 6.632 12.929 -8.781 1.00 0.00 N ATOM 1477 NH2 ARG A 90 4.921 13.794 -7.584 1.00 0.00 N ATOM 0 H ARG A 90 5.037 7.532 -4.693 1.00 0.00 H new ATOM 0 HA ARG A 90 7.842 7.995 -3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 90 8.230 9.531 -5.681 1.00 0.00 H new ATOM 0 HB3 ARG A 90 7.765 7.984 -6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.685 8.758 -7.072 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.503 9.849 -5.713 1.00 0.00 H new ATOM 0 HD2 ARG A 90 7.722 10.936 -7.051 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.722 10.373 -8.376 1.00 0.00 H new ATOM 0 HE ARG A 90 5.065 11.675 -6.307 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.292 12.172 -8.959 1.00 0.00 H new ATOM 0 HH12 ARG A 90 6.648 13.767 -9.362 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.244 13.713 -6.826 1.00 0.00 H new ATOM 0 HH22 ARG A 90 4.938 14.632 -8.166 1.00 0.00 H new ATOM 1491 N ARG A 91 7.137 10.278 -2.931 1.00 0.00 N ATOM 1492 CA ARG A 91 6.577 11.423 -2.160 1.00 0.00 C ATOM 1493 C ARG A 91 6.411 12.624 -3.094 1.00 0.00 C ATOM 1494 O ARG A 91 7.278 12.917 -3.892 1.00 0.00 O ATOM 1495 CB ARG A 91 7.615 11.719 -1.072 1.00 0.00 C ATOM 1496 CG ARG A 91 7.610 13.215 -0.746 1.00 0.00 C ATOM 1497 CD ARG A 91 7.880 13.415 0.747 1.00 0.00 C ATOM 1498 NE ARG A 91 7.882 14.891 0.942 1.00 0.00 N ATOM 1499 CZ ARG A 91 8.916 15.598 0.574 1.00 0.00 C ATOM 1500 NH1 ARG A 91 9.950 15.013 0.033 1.00 0.00 N ATOM 1501 NH2 ARG A 91 8.916 16.891 0.747 1.00 0.00 N ATOM 0 H ARG A 91 8.153 10.189 -2.897 1.00 0.00 H new ATOM 0 HA ARG A 91 5.600 11.207 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.391 11.141 -0.175 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.606 11.414 -1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.370 13.729 -1.335 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.648 13.653 -1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 91 7.112 12.937 1.355 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.835 12.977 1.038 1.00 0.00 H new ATOM 0 HE ARG A 91 7.075 15.350 1.364 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.951 14.002 -0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 91 10.757 15.567 -0.254 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.108 17.349 1.170 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.724 17.444 0.460 1.00 0.00 H new ATOM 1515 N SER A 92 5.311 13.317 -3.012 1.00 0.00 N ATOM 1516 CA SER A 92 5.111 14.485 -3.909 1.00 0.00 C ATOM 1517 C SER A 92 6.142 15.566 -3.589 1.00 0.00 C ATOM 1518 O SER A 92 6.061 16.220 -2.569 1.00 0.00 O ATOM 1519 CB SER A 92 3.699 14.983 -3.604 1.00 0.00 C ATOM 1520 OG SER A 92 3.417 14.779 -2.225 1.00 0.00 O ATOM 0 H SER A 92 4.546 13.126 -2.366 1.00 0.00 H new ATOM 0 HA SER A 92 5.230 14.228 -4.961 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.612 16.041 -3.852 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.973 14.451 -4.218 1.00 0.00 H new ATOM 0 HG SER A 92 4.160 15.121 -1.685 1.00 0.00 H new ATOM 1526 N PRO A 93 7.081 15.720 -4.481 1.00 0.00 N ATOM 1527 CA PRO A 93 8.142 16.738 -4.296 1.00 0.00 C ATOM 1528 C PRO A 93 7.499 18.120 -4.259 1.00 0.00 C ATOM 1529 O PRO A 93 8.045 19.065 -3.725 1.00 0.00 O ATOM 1530 CB PRO A 93 9.025 16.582 -5.533 1.00 0.00 C ATOM 1531 CG PRO A 93 8.174 15.856 -6.525 1.00 0.00 C ATOM 1532 CD PRO A 93 7.243 14.983 -5.735 1.00 0.00 C ATOM 0 HA PRO A 93 8.710 16.619 -3.373 1.00 0.00 H new ATOM 0 HB2 PRO A 93 9.340 17.552 -5.918 1.00 0.00 H new ATOM 0 HB3 PRO A 93 9.931 16.020 -5.304 1.00 0.00 H new ATOM 0 HG2 PRO A 93 7.615 16.558 -7.143 1.00 0.00 H new ATOM 0 HG3 PRO A 93 8.788 15.258 -7.198 1.00 0.00 H new ATOM 0 HD2 PRO A 93 6.291 14.843 -6.246 1.00 0.00 H new ATOM 0 HD3 PRO A 93 7.664 13.992 -5.568 1.00 0.00 H new ATOM 1540 N SER A 94 6.329 18.233 -4.823 1.00 0.00 N ATOM 1541 CA SER A 94 5.626 19.539 -4.826 1.00 0.00 C ATOM 1542 C SER A 94 5.026 19.811 -3.447 1.00 0.00 C ATOM 1543 O SER A 94 4.485 20.869 -3.197 1.00 0.00 O ATOM 1544 CB SER A 94 4.524 19.395 -5.874 1.00 0.00 C ATOM 1545 OG SER A 94 5.033 19.771 -7.146 1.00 0.00 O ATOM 0 H SER A 94 5.830 17.472 -5.283 1.00 0.00 H new ATOM 0 HA SER A 94 6.294 20.370 -5.054 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.166 18.366 -5.903 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.672 20.022 -5.611 1.00 0.00 H new ATOM 0 HG SER A 94 4.328 19.678 -7.821 1.00 0.00 H new ATOM 1551 N LYS A 95 5.130 18.876 -2.536 1.00 0.00 N ATOM 1552 CA LYS A 95 4.579 19.107 -1.171 1.00 0.00 C ATOM 1553 C LYS A 95 5.715 19.033 -0.144 1.00 0.00 C ATOM 1554 O LYS A 95 6.512 18.116 -0.171 1.00 0.00 O ATOM 1555 CB LYS A 95 3.576 17.973 -0.948 1.00 0.00 C ATOM 1556 CG LYS A 95 2.344 18.517 -0.221 1.00 0.00 C ATOM 1557 CD LYS A 95 1.095 17.787 -0.719 1.00 0.00 C ATOM 1558 CE LYS A 95 0.479 18.564 -1.885 1.00 0.00 C ATOM 1559 NZ LYS A 95 -0.752 17.807 -2.243 1.00 0.00 N ATOM 0 H LYS A 95 5.571 17.968 -2.680 1.00 0.00 H new ATOM 0 HA LYS A 95 4.108 20.084 -1.067 1.00 0.00 H new ATOM 0 HB2 LYS A 95 3.285 17.538 -1.904 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.035 17.177 -0.362 1.00 0.00 H new ATOM 0 HG2 LYS A 95 2.453 18.380 0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 95 2.247 19.588 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.354 16.777 -1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.371 17.690 0.090 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.243 19.588 -1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 95 1.167 18.621 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.231 18.279 -3.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.495 16.838 -2.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -1.391 17.775 -1.423 1.00 0.00 H new ATOM 1573 N PRO A 96 5.758 20.006 0.725 1.00 0.00 N ATOM 1574 CA PRO A 96 6.815 20.049 1.764 1.00 0.00 C ATOM 1575 C PRO A 96 6.619 18.940 2.797 1.00 0.00 C ATOM 1576 O PRO A 96 5.511 18.551 3.111 1.00 0.00 O ATOM 1577 CB PRO A 96 6.650 21.410 2.415 1.00 0.00 C ATOM 1578 CG PRO A 96 5.246 21.833 2.103 1.00 0.00 C ATOM 1579 CD PRO A 96 4.840 21.144 0.824 1.00 0.00 C ATOM 0 HA PRO A 96 7.809 19.900 1.341 1.00 0.00 H new ATOM 0 HB2 PRO A 96 6.813 21.353 3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.372 22.124 2.020 1.00 0.00 H new ATOM 0 HG2 PRO A 96 4.573 21.560 2.916 1.00 0.00 H new ATOM 0 HG3 PRO A 96 5.187 22.916 1.991 1.00 0.00 H new ATOM 0 HD2 PRO A 96 3.801 20.816 0.860 1.00 0.00 H new ATOM 0 HD3 PRO A 96 4.935 21.809 -0.035 1.00 0.00 H new ATOM 1587 N LEU A 97 7.693 18.456 3.348 1.00 0.00 N ATOM 1588 CA LEU A 97 7.598 17.402 4.388 1.00 0.00 C ATOM 1589 C LEU A 97 8.288 17.900 5.648 1.00 0.00 C ATOM 1590 O LEU A 97 9.470 18.183 5.651 1.00 0.00 O ATOM 1591 CB LEU A 97 8.273 16.150 3.820 1.00 0.00 C ATOM 1592 CG LEU A 97 9.713 16.024 4.330 1.00 0.00 C ATOM 1593 CD1 LEU A 97 9.700 15.532 5.780 1.00 0.00 C ATOM 1594 CD2 LEU A 97 10.473 15.018 3.462 1.00 0.00 C ATOM 0 H LEU A 97 8.643 18.750 3.119 1.00 0.00 H new ATOM 0 HA LEU A 97 6.567 17.165 4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.704 15.265 4.104 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.272 16.194 2.731 1.00 0.00 H new ATOM 0 HG LEU A 97 10.203 16.996 4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 97 10.724 15.442 6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.156 16.244 6.401 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.211 14.559 5.830 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.497 14.927 3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 97 9.982 14.047 3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 97 10.482 15.363 2.428 1.00 0.00 H new