USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 675 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 39 SER OG : rot -156:sc= 0.0422 USER MOD Set 1.2: A 48 TYR OH : rot 9:sc= -1.74! USER MOD Set 2.1: A 34 THR OG1 : rot 180:sc= -0.297 USER MOD Set 2.2: A 83 THR OG1 : rot -76:sc= 0.00232 USER MOD Single : A 17 ASN : amide:sc= -0.248 X(o=-0.25,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 26 CYS SG : rot -50:sc= 0.222 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.589 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -1.7! C(o=-1.7!,f=-3.3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.347 USER MOD Single : A 36 HIS : no HD1:sc= -3.32! K(o=-3.3!,f=-2) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0479 K(o=-0.048,f=-1.7!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 177:sc= -1.55 (180deg=-1.64) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ -159:sc= -0.36 (180deg=-1.68) USER MOD Single : A 79 GLN : amide:sc= -0.505 K(o=-0.51,f=-1.8!) USER MOD Single : A 80 ASN : amide:sc= 1 K(o=1,f=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.374 X(o=-0.37,f=-0.0087) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.0124 USER MOD Single : A 85 HIS : no HD1:sc= -0.0918 X(o=-0.092,f=-0.36) USER MOD Single : A 88 GLN : amide:sc= -0.048 X(o=-0.048,f=-0.28) USER MOD Single : A 89 SER OG : rot 180:sc=4.09e-05 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= -0.9 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -2.08 K(o=-2.1,f=-12!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -1.6 K(o=-1.6,f=-7.3!) USER MOD Single : A 108 SER OG : rot 109:sc= 1.24 USER MOD Single : A 111 THR OG1 : rot -120:sc= -0.126 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 THR OG1 : rot -119:sc= 0.368 USER MOD Single : A 116 ASN : amide:sc= -3.83! C(o=-3.8!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 173 N ALA A 15 -4.329 -16.156 -6.185 1.00 0.00 N ATOM 174 CA ALA A 15 -4.334 -14.726 -5.900 1.00 0.00 C ATOM 175 C ALA A 15 -3.712 -14.436 -4.538 1.00 0.00 C ATOM 176 O ALA A 15 -3.957 -15.135 -3.555 1.00 0.00 O ATOM 177 CB ALA A 15 -5.754 -14.181 -5.961 1.00 0.00 C ATOM 0 HA ALA A 15 -3.732 -14.227 -6.659 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.743 -13.112 -5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.165 -14.347 -6.957 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.372 -14.693 -5.224 1.00 0.00 H new ATOM 183 N PRO A 16 -2.888 -13.380 -4.477 1.00 0.00 N ATOM 184 CA PRO A 16 -2.213 -12.973 -3.240 1.00 0.00 C ATOM 185 C PRO A 16 -3.183 -12.399 -2.213 1.00 0.00 C ATOM 186 O PRO A 16 -4.124 -11.688 -2.563 1.00 0.00 O ATOM 187 CB PRO A 16 -1.232 -11.895 -3.709 1.00 0.00 C ATOM 188 CG PRO A 16 -1.837 -11.349 -4.957 1.00 0.00 C ATOM 189 CD PRO A 16 -2.550 -12.501 -5.609 1.00 0.00 C ATOM 0 HA PRO A 16 -1.735 -13.816 -2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.109 -11.117 -2.956 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.244 -12.314 -3.899 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.530 -10.538 -4.733 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.071 -10.941 -5.616 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.442 -12.171 -6.142 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.914 -13.008 -6.335 1.00 0.00 H new ATOM 197 N ASN A 17 -2.947 -12.713 -0.943 1.00 0.00 N ATOM 198 CA ASN A 17 -3.801 -12.229 0.136 1.00 0.00 C ATOM 199 C ASN A 17 -3.760 -10.706 0.219 1.00 0.00 C ATOM 200 O ASN A 17 -2.706 -10.081 0.099 1.00 0.00 O ATOM 201 CB ASN A 17 -3.365 -12.836 1.471 1.00 0.00 C ATOM 202 CG ASN A 17 -3.382 -14.352 1.449 1.00 0.00 C ATOM 203 OD1 ASN A 17 -2.424 -15.001 1.871 1.00 0.00 O ATOM 204 ND2 ASN A 17 -4.474 -14.925 0.956 1.00 0.00 N ATOM 0 H ASN A 17 -2.172 -13.300 -0.636 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.825 -12.537 -0.078 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.360 -12.490 1.714 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -4.025 -12.479 2.262 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -4.543 -15.942 0.916 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -5.244 -14.348 0.617 1.00 0.00 H new ATOM 211 N PRO A 18 -4.934 -10.094 0.431 1.00 0.00 N ATOM 212 CA PRO A 18 -5.060 -8.637 0.536 1.00 0.00 C ATOM 213 C PRO A 18 -4.434 -8.093 1.816 1.00 0.00 C ATOM 214 O PRO A 18 -4.747 -8.530 2.923 1.00 0.00 O ATOM 215 CB PRO A 18 -6.574 -8.411 0.543 1.00 0.00 C ATOM 216 CG PRO A 18 -7.145 -9.684 1.066 1.00 0.00 C ATOM 217 CD PRO A 18 -6.230 -10.776 0.583 1.00 0.00 C ATOM 0 HA PRO A 18 -4.543 -8.123 -0.274 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -6.845 -7.566 1.176 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.946 -8.192 -0.458 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -7.196 -9.671 2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -8.161 -9.836 0.701 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.171 -11.596 1.298 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.574 -11.200 -0.360 1.00 0.00 H new ATOM 225 N PRO A 19 -3.529 -7.115 1.663 1.00 0.00 N ATOM 226 CA PRO A 19 -2.841 -6.489 2.797 1.00 0.00 C ATOM 227 C PRO A 19 -3.776 -5.626 3.637 1.00 0.00 C ATOM 228 O PRO A 19 -4.813 -5.168 3.158 1.00 0.00 O ATOM 229 CB PRO A 19 -1.771 -5.622 2.127 1.00 0.00 C ATOM 230 CG PRO A 19 -2.314 -5.331 0.771 1.00 0.00 C ATOM 231 CD PRO A 19 -3.107 -6.544 0.373 1.00 0.00 C ATOM 0 HA PRO A 19 -2.439 -7.229 3.489 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -1.596 -4.704 2.689 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.817 -6.146 2.067 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.943 -4.441 0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.509 -5.141 0.061 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -3.963 -6.279 -0.248 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.504 -7.248 -0.200 1.00 0.00 H new ATOM 239 N SER A 20 -3.402 -5.408 4.894 1.00 0.00 N ATOM 240 CA SER A 20 -4.209 -4.603 5.803 1.00 0.00 C ATOM 241 C SER A 20 -3.513 -3.284 6.124 1.00 0.00 C ATOM 242 O SER A 20 -2.563 -3.246 6.906 1.00 0.00 O ATOM 243 CB SER A 20 -4.484 -5.375 7.095 1.00 0.00 C ATOM 244 OG SER A 20 -5.676 -6.135 6.991 1.00 0.00 O ATOM 0 H SER A 20 -2.545 -5.778 5.306 1.00 0.00 H new ATOM 0 HA SER A 20 -5.156 -4.384 5.311 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.645 -6.036 7.313 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.565 -4.678 7.929 1.00 0.00 H new ATOM 0 HG SER A 20 -5.829 -6.620 7.829 1.00 0.00 H new ATOM 250 N ILE A 21 -3.994 -2.205 5.515 1.00 0.00 N ATOM 251 CA ILE A 21 -3.420 -0.884 5.736 1.00 0.00 C ATOM 252 C ILE A 21 -3.725 -0.380 7.143 1.00 0.00 C ATOM 253 O ILE A 21 -4.850 0.021 7.439 1.00 0.00 O ATOM 254 CB ILE A 21 -3.947 0.138 4.712 1.00 0.00 C ATOM 255 CG1 ILE A 21 -3.540 -0.272 3.295 1.00 0.00 C ATOM 256 CG2 ILE A 21 -3.426 1.530 5.036 1.00 0.00 C ATOM 257 CD1 ILE A 21 -4.512 0.188 2.231 1.00 0.00 C ATOM 0 H ILE A 21 -4.780 -2.220 4.865 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.342 -0.985 5.614 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.035 0.157 4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.554 0.137 3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.452 -1.358 3.251 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.807 2.241 4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.760 1.821 6.032 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.336 1.527 5.006 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -4.161 -0.137 1.252 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.495 -0.242 2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -4.582 1.276 2.248 1.00 0.00 H new ATOM 269 N ARG A 22 -2.714 -0.402 8.006 1.00 0.00 N ATOM 270 CA ARG A 22 -2.874 0.053 9.381 1.00 0.00 C ATOM 271 C ARG A 22 -2.936 1.576 9.447 1.00 0.00 C ATOM 272 O ARG A 22 -2.013 2.263 9.009 1.00 0.00 O ATOM 273 CB ARG A 22 -1.721 -0.459 10.248 1.00 0.00 C ATOM 274 CG ARG A 22 -1.606 -1.974 10.275 1.00 0.00 C ATOM 275 CD ARG A 22 -2.654 -2.596 11.184 1.00 0.00 C ATOM 276 NE ARG A 22 -2.232 -2.603 12.582 1.00 0.00 N ATOM 277 CZ ARG A 22 -1.248 -3.364 13.048 1.00 0.00 C ATOM 278 NH1 ARG A 22 -0.589 -4.175 12.232 1.00 0.00 N ATOM 279 NH2 ARG A 22 -0.922 -3.315 14.334 1.00 0.00 N ATOM 0 H ARG A 22 -1.776 -0.730 7.777 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.813 -0.348 9.762 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.786 -0.039 9.879 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.854 -0.095 11.267 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.720 -2.367 9.265 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.611 -2.258 10.617 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.589 -2.043 11.090 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.854 -3.618 10.861 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.719 -1.990 13.236 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -0.837 -4.216 11.243 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.166 -4.758 12.593 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.427 -2.693 14.965 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.166 -3.900 14.691 1.00 0.00 H new ATOM 293 N GLU A 23 -4.029 2.096 9.995 1.00 0.00 N ATOM 294 CA GLU A 23 -4.211 3.538 10.116 1.00 0.00 C ATOM 295 C GLU A 23 -3.595 4.058 11.412 1.00 0.00 C ATOM 296 O GLU A 23 -3.408 5.262 11.583 1.00 0.00 O ATOM 297 CB GLU A 23 -5.698 3.893 10.068 1.00 0.00 C ATOM 298 CG GLU A 23 -6.239 4.057 8.657 1.00 0.00 C ATOM 299 CD GLU A 23 -7.510 4.883 8.612 1.00 0.00 C ATOM 300 OE1 GLU A 23 -7.436 6.100 8.886 1.00 0.00 O ATOM 301 OE2 GLU A 23 -8.578 4.314 8.304 1.00 0.00 O ATOM 0 H GLU A 23 -4.802 1.541 10.362 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.704 4.013 9.276 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.266 3.114 10.578 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.860 4.819 10.620 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -5.480 4.530 8.034 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.434 3.073 8.230 1.00 0.00 H new ATOM 308 N GLU A 24 -3.282 3.140 12.321 1.00 0.00 N ATOM 309 CA GLU A 24 -2.688 3.506 13.602 1.00 0.00 C ATOM 310 C GLU A 24 -1.168 3.580 13.496 1.00 0.00 C ATOM 311 O GLU A 24 -0.516 4.304 14.249 1.00 0.00 O ATOM 312 CB GLU A 24 -3.087 2.496 14.681 1.00 0.00 C ATOM 313 CG GLU A 24 -2.601 1.084 14.402 1.00 0.00 C ATOM 314 CD GLU A 24 -3.430 0.031 15.111 1.00 0.00 C ATOM 315 OE1 GLU A 24 -3.353 -0.046 16.355 1.00 0.00 O ATOM 316 OE2 GLU A 24 -4.156 -0.716 14.422 1.00 0.00 O ATOM 0 H GLU A 24 -3.430 2.139 12.195 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.063 4.491 13.879 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.688 2.826 15.640 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.173 2.486 14.774 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -2.628 0.900 13.328 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.561 0.993 14.715 1.00 0.00 H new ATOM 323 N LEU A 25 -0.609 2.824 12.557 1.00 0.00 N ATOM 324 CA LEU A 25 0.835 2.803 12.351 1.00 0.00 C ATOM 325 C LEU A 25 1.255 3.852 11.326 1.00 0.00 C ATOM 326 O LEU A 25 2.382 4.346 11.356 1.00 0.00 O ATOM 327 CB LEU A 25 1.284 1.415 11.890 1.00 0.00 C ATOM 328 CG LEU A 25 0.760 0.234 12.708 1.00 0.00 C ATOM 329 CD1 LEU A 25 1.141 -1.083 12.050 1.00 0.00 C ATOM 330 CD2 LEU A 25 1.294 0.294 14.132 1.00 0.00 C ATOM 0 H LEU A 25 -1.134 2.218 11.927 1.00 0.00 H new ATOM 0 HA LEU A 25 1.316 3.037 13.301 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.973 1.280 10.854 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.374 1.385 11.902 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.328 0.297 12.745 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.759 -1.912 12.647 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.711 -1.128 11.050 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.226 -1.155 11.982 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.911 -0.554 14.700 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.383 0.257 14.114 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.971 1.222 14.603 1.00 0.00 H new ATOM 342 N CYS A 26 0.341 4.188 10.423 1.00 0.00 N ATOM 343 CA CYS A 26 0.615 5.180 9.390 1.00 0.00 C ATOM 344 C CYS A 26 0.842 6.557 10.005 1.00 0.00 C ATOM 345 O CYS A 26 0.269 6.888 11.043 1.00 0.00 O ATOM 346 CB CYS A 26 -0.540 5.239 8.390 1.00 0.00 C ATOM 347 SG CYS A 26 -1.987 6.145 8.986 1.00 0.00 S ATOM 0 H CYS A 26 -0.597 3.788 10.385 1.00 0.00 H new ATOM 0 HA CYS A 26 1.523 4.881 8.867 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.187 5.705 7.470 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.840 4.222 8.137 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.316 5.710 10.166 1.00 0.00 H new ATOM 353 N THR A 27 1.684 7.357 9.358 1.00 0.00 N ATOM 354 CA THR A 27 1.989 8.698 9.842 1.00 0.00 C ATOM 355 C THR A 27 1.651 9.751 8.793 1.00 0.00 C ATOM 356 O THR A 27 1.719 9.490 7.592 1.00 0.00 O ATOM 357 CB THR A 27 3.475 8.831 10.227 1.00 0.00 C ATOM 358 OG1 THR A 27 4.300 8.632 9.073 1.00 0.00 O ATOM 359 CG2 THR A 27 3.847 7.823 11.303 1.00 0.00 C ATOM 0 H THR A 27 2.167 7.099 8.497 1.00 0.00 H new ATOM 0 HA THR A 27 1.375 8.862 10.728 1.00 0.00 H new ATOM 0 HB THR A 27 3.638 9.835 10.620 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.243 8.720 9.326 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.901 7.936 11.559 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.238 7.996 12.190 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.670 6.813 10.933 1.00 0.00 H new ATOM 367 N ALA A 28 1.288 10.943 9.255 1.00 0.00 N ATOM 368 CA ALA A 28 0.942 12.037 8.356 1.00 0.00 C ATOM 369 C ALA A 28 1.831 13.251 8.601 1.00 0.00 C ATOM 370 O ALA A 28 2.029 13.667 9.743 1.00 0.00 O ATOM 371 CB ALA A 28 -0.524 12.412 8.520 1.00 0.00 C ATOM 0 H ALA A 28 1.226 11.176 10.246 1.00 0.00 H new ATOM 0 HA ALA A 28 1.107 11.699 7.333 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.768 13.230 7.843 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.148 11.549 8.287 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.707 12.725 9.548 1.00 0.00 H new ATOM 377 N SER A 29 2.365 13.815 7.523 1.00 0.00 N ATOM 378 CA SER A 29 3.238 14.980 7.622 1.00 0.00 C ATOM 379 C SER A 29 2.812 16.063 6.636 1.00 0.00 C ATOM 380 O SER A 29 2.032 15.811 5.717 1.00 0.00 O ATOM 381 CB SER A 29 4.691 14.578 7.359 1.00 0.00 C ATOM 382 OG SER A 29 5.038 13.413 8.087 1.00 0.00 O ATOM 0 H SER A 29 2.209 13.485 6.571 1.00 0.00 H new ATOM 0 HA SER A 29 3.156 15.380 8.632 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.835 14.401 6.293 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.354 15.396 7.639 1.00 0.00 H new ATOM 0 HG SER A 29 5.970 13.176 7.900 1.00 0.00 H new ATOM 388 N HIS A 30 3.329 17.272 6.835 1.00 0.00 N ATOM 389 CA HIS A 30 3.003 18.395 5.964 1.00 0.00 C ATOM 390 C HIS A 30 2.938 17.951 4.506 1.00 0.00 C ATOM 391 O HIS A 30 1.866 17.934 3.899 1.00 0.00 O ATOM 392 CB HIS A 30 4.038 19.509 6.124 1.00 0.00 C ATOM 393 CG HIS A 30 5.444 19.007 6.245 1.00 0.00 C ATOM 394 ND1 HIS A 30 5.929 18.394 7.381 1.00 0.00 N ATOM 395 CD2 HIS A 30 6.471 19.029 5.364 1.00 0.00 C ATOM 396 CE1 HIS A 30 7.194 18.062 7.194 1.00 0.00 C ATOM 397 NE2 HIS A 30 7.547 18.436 5.977 1.00 0.00 N ATOM 0 H HIS A 30 3.975 17.498 7.591 1.00 0.00 H new ATOM 0 HA HIS A 30 2.023 18.775 6.254 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.973 20.180 5.267 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.793 20.097 7.009 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.448 19.437 4.364 1.00 0.00 H new ATOM 0 HE1 HIS A 30 7.831 17.569 7.913 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.469 18.305 5.561 1.00 0.00 H new ATOM 406 N ASP A 31 4.090 17.594 3.949 1.00 0.00 N ATOM 407 CA ASP A 31 4.163 17.150 2.562 1.00 0.00 C ATOM 408 C ASP A 31 4.719 15.732 2.474 1.00 0.00 C ATOM 409 O ASP A 31 5.446 15.394 1.539 1.00 0.00 O ATOM 410 CB ASP A 31 5.035 18.104 1.744 1.00 0.00 C ATOM 411 CG ASP A 31 4.458 19.504 1.680 1.00 0.00 C ATOM 412 OD1 ASP A 31 3.228 19.648 1.843 1.00 0.00 O ATOM 413 OD2 ASP A 31 5.237 20.457 1.468 1.00 0.00 O ATOM 0 H ASP A 31 4.986 17.603 4.437 1.00 0.00 H new ATOM 0 HA ASP A 31 3.153 17.151 2.152 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.033 18.145 2.181 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.146 17.713 0.733 1.00 0.00 H new ATOM 418 N THR A 32 4.373 14.904 3.456 1.00 0.00 N ATOM 419 CA THR A 32 4.839 13.524 3.491 1.00 0.00 C ATOM 420 C THR A 32 3.882 12.641 4.284 1.00 0.00 C ATOM 421 O THR A 32 3.245 13.097 5.234 1.00 0.00 O ATOM 422 CB THR A 32 6.246 13.421 4.110 1.00 0.00 C ATOM 423 OG1 THR A 32 6.981 14.624 3.858 1.00 0.00 O ATOM 424 CG2 THR A 32 7.002 12.230 3.540 1.00 0.00 C ATOM 0 H THR A 32 3.772 15.166 4.237 1.00 0.00 H new ATOM 0 HA THR A 32 4.878 13.178 2.458 1.00 0.00 H new ATOM 0 HB THR A 32 6.137 13.281 5.185 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.874 14.551 4.256 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.993 12.178 3.992 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.455 11.313 3.759 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.101 12.345 2.461 1.00 0.00 H new ATOM 432 N ILE A 33 3.787 11.376 3.889 1.00 0.00 N ATOM 433 CA ILE A 33 2.908 10.429 4.565 1.00 0.00 C ATOM 434 C ILE A 33 3.447 9.007 4.458 1.00 0.00 C ATOM 435 O ILE A 33 3.906 8.582 3.397 1.00 0.00 O ATOM 436 CB ILE A 33 1.482 10.471 3.985 1.00 0.00 C ATOM 437 CG1 ILE A 33 0.834 11.828 4.266 1.00 0.00 C ATOM 438 CG2 ILE A 33 0.641 9.345 4.566 1.00 0.00 C ATOM 439 CD1 ILE A 33 -0.512 12.004 3.598 1.00 0.00 C ATOM 0 H ILE A 33 4.307 10.983 3.105 1.00 0.00 H new ATOM 0 HA ILE A 33 2.873 10.724 5.614 1.00 0.00 H new ATOM 0 HB ILE A 33 1.540 10.334 2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.715 11.949 5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.504 12.619 3.929 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.364 9.388 4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.097 8.386 4.319 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.587 9.453 5.649 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.913 12.988 3.841 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.396 11.915 2.518 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.198 11.235 3.954 1.00 0.00 H new ATOM 451 N THR A 34 3.387 8.272 5.565 1.00 0.00 N ATOM 452 CA THR A 34 3.868 6.897 5.596 1.00 0.00 C ATOM 453 C THR A 34 2.735 5.925 5.903 1.00 0.00 C ATOM 454 O THR A 34 2.113 5.995 6.963 1.00 0.00 O ATOM 455 CB THR A 34 4.983 6.715 6.644 1.00 0.00 C ATOM 456 OG1 THR A 34 6.005 7.698 6.447 1.00 0.00 O ATOM 457 CG2 THR A 34 5.588 5.322 6.554 1.00 0.00 C ATOM 0 H THR A 34 3.010 8.607 6.452 1.00 0.00 H new ATOM 0 HA THR A 34 4.271 6.681 4.606 1.00 0.00 H new ATOM 0 HB THR A 34 4.545 6.840 7.634 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.709 7.577 7.118 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.373 5.217 7.303 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.813 4.577 6.733 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.012 5.173 5.561 1.00 0.00 H new ATOM 465 N VAL A 35 2.471 5.017 4.969 1.00 0.00 N ATOM 466 CA VAL A 35 1.412 4.029 5.140 1.00 0.00 C ATOM 467 C VAL A 35 1.991 2.652 5.448 1.00 0.00 C ATOM 468 O VAL A 35 2.859 2.156 4.729 1.00 0.00 O ATOM 469 CB VAL A 35 0.526 3.932 3.885 1.00 0.00 C ATOM 470 CG1 VAL A 35 -0.513 2.832 4.047 1.00 0.00 C ATOM 471 CG2 VAL A 35 -0.141 5.269 3.599 1.00 0.00 C ATOM 0 H VAL A 35 2.976 4.945 4.086 1.00 0.00 H new ATOM 0 HA VAL A 35 0.802 4.361 5.980 1.00 0.00 H new ATOM 0 HB VAL A 35 1.159 3.678 3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.130 2.779 3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.011 1.877 4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.144 3.051 4.908 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.763 5.182 2.708 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.761 5.555 4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.623 6.029 3.435 1.00 0.00 H new ATOM 481 N HIS A 36 1.504 2.039 6.522 1.00 0.00 N ATOM 482 CA HIS A 36 1.971 0.717 6.926 1.00 0.00 C ATOM 483 C HIS A 36 0.919 -0.346 6.627 1.00 0.00 C ATOM 484 O HIS A 36 -0.235 -0.223 7.036 1.00 0.00 O ATOM 485 CB HIS A 36 2.315 0.707 8.415 1.00 0.00 C ATOM 486 CG HIS A 36 3.219 1.827 8.829 1.00 0.00 C ATOM 487 ND1 HIS A 36 4.238 1.672 9.746 1.00 0.00 N ATOM 488 CD2 HIS A 36 3.255 3.124 8.444 1.00 0.00 C ATOM 489 CE1 HIS A 36 4.860 2.826 9.908 1.00 0.00 C ATOM 490 NE2 HIS A 36 4.283 3.724 9.130 1.00 0.00 N ATOM 0 H HIS A 36 0.786 2.436 7.128 1.00 0.00 H new ATOM 0 HA HIS A 36 2.869 0.485 6.353 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.392 0.763 8.993 1.00 0.00 H new ATOM 0 HB3 HIS A 36 2.789 -0.242 8.663 1.00 0.00 H new ATOM 0 HD2 HIS A 36 2.598 3.599 7.730 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.698 3.005 10.565 1.00 0.00 H new ATOM 0 HE2 HIS A 36 4.556 4.704 9.051 1.00 0.00 H new ATOM 499 N TRP A 37 1.325 -1.388 5.911 1.00 0.00 N ATOM 500 CA TRP A 37 0.416 -2.473 5.556 1.00 0.00 C ATOM 501 C TRP A 37 0.876 -3.791 6.171 1.00 0.00 C ATOM 502 O TRP A 37 2.050 -4.150 6.084 1.00 0.00 O ATOM 503 CB TRP A 37 0.322 -2.611 4.036 1.00 0.00 C ATOM 504 CG TRP A 37 1.653 -2.543 3.350 1.00 0.00 C ATOM 505 CD1 TRP A 37 2.512 -3.580 3.124 1.00 0.00 C ATOM 506 CD2 TRP A 37 2.276 -1.377 2.802 1.00 0.00 C ATOM 507 NE1 TRP A 37 3.632 -3.129 2.469 1.00 0.00 N ATOM 508 CE2 TRP A 37 3.511 -1.781 2.259 1.00 0.00 C ATOM 509 CE3 TRP A 37 1.910 -0.031 2.715 1.00 0.00 C ATOM 510 CZ2 TRP A 37 4.380 -0.886 1.640 1.00 0.00 C ATOM 511 CZ3 TRP A 37 2.774 0.856 2.101 1.00 0.00 C ATOM 512 CH2 TRP A 37 3.997 0.426 1.570 1.00 0.00 C ATOM 0 H TRP A 37 2.277 -1.505 5.565 1.00 0.00 H new ATOM 0 HA TRP A 37 -0.570 -2.232 5.953 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -0.156 -3.560 3.793 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -0.321 -1.822 3.646 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.337 -4.605 3.417 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.425 -3.704 2.185 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.969 0.310 3.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 5.323 -1.216 1.230 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.502 1.899 2.029 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.650 1.144 1.096 1.00 0.00 H new ATOM 523 N ILE A 38 -0.057 -4.506 6.791 1.00 0.00 N ATOM 524 CA ILE A 38 0.254 -5.784 7.419 1.00 0.00 C ATOM 525 C ILE A 38 -0.391 -6.940 6.661 1.00 0.00 C ATOM 526 O ILE A 38 -1.554 -6.863 6.264 1.00 0.00 O ATOM 527 CB ILE A 38 -0.217 -5.821 8.885 1.00 0.00 C ATOM 528 CG1 ILE A 38 0.249 -7.112 9.561 1.00 0.00 C ATOM 529 CG2 ILE A 38 -1.731 -5.695 8.958 1.00 0.00 C ATOM 530 CD1 ILE A 38 1.605 -6.992 10.222 1.00 0.00 C ATOM 0 H ILE A 38 -1.033 -4.222 6.872 1.00 0.00 H new ATOM 0 HA ILE A 38 1.338 -5.893 7.391 1.00 0.00 H new ATOM 0 HB ILE A 38 0.224 -4.977 9.414 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -0.486 -7.407 10.310 1.00 0.00 H new ATOM 0 HG13 ILE A 38 0.285 -7.909 8.818 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.049 -5.723 10.000 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.040 -4.751 8.510 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -2.191 -6.521 8.416 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.872 -7.944 10.681 1.00 0.00 H new ATOM 0 HD12 ILE A 38 2.352 -6.728 9.474 1.00 0.00 H new ATOM 0 HD13 ILE A 38 1.569 -6.218 10.988 1.00 0.00 H new ATOM 542 N SER A 39 0.371 -8.011 6.465 1.00 0.00 N ATOM 543 CA SER A 39 -0.125 -9.182 5.753 1.00 0.00 C ATOM 544 C SER A 39 0.201 -10.461 6.518 1.00 0.00 C ATOM 545 O SER A 39 1.136 -10.499 7.317 1.00 0.00 O ATOM 546 CB SER A 39 0.481 -9.246 4.349 1.00 0.00 C ATOM 547 OG SER A 39 1.890 -9.101 4.394 1.00 0.00 O ATOM 0 H SER A 39 1.335 -8.092 6.790 1.00 0.00 H new ATOM 0 HA SER A 39 -1.208 -9.094 5.670 1.00 0.00 H new ATOM 0 HB2 SER A 39 0.225 -10.197 3.882 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.051 -8.460 3.728 1.00 0.00 H new ATOM 0 HG SER A 39 2.213 -8.770 3.530 1.00 0.00 H new ATOM 553 N ASP A 40 -0.578 -11.508 6.267 1.00 0.00 N ATOM 554 CA ASP A 40 -0.374 -12.790 6.931 1.00 0.00 C ATOM 555 C ASP A 40 0.950 -13.417 6.506 1.00 0.00 C ATOM 556 O ASP A 40 1.623 -14.071 7.303 1.00 0.00 O ATOM 557 CB ASP A 40 -1.528 -13.742 6.614 1.00 0.00 C ATOM 558 CG ASP A 40 -1.168 -15.193 6.867 1.00 0.00 C ATOM 559 OD1 ASP A 40 -0.932 -15.550 8.040 1.00 0.00 O ATOM 560 OD2 ASP A 40 -1.122 -15.971 5.892 1.00 0.00 O ATOM 0 H ASP A 40 -1.357 -11.494 5.608 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.344 -12.614 8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -2.393 -13.474 7.221 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.820 -13.620 5.571 1.00 0.00 H new ATOM 565 N ASP A 41 1.318 -13.212 5.246 1.00 0.00 N ATOM 566 CA ASP A 41 2.562 -13.757 4.714 1.00 0.00 C ATOM 567 C ASP A 41 2.937 -13.076 3.402 1.00 0.00 C ATOM 568 O ASP A 41 2.228 -13.199 2.404 1.00 0.00 O ATOM 569 CB ASP A 41 2.433 -15.266 4.501 1.00 0.00 C ATOM 570 CG ASP A 41 2.844 -16.061 5.725 1.00 0.00 C ATOM 571 OD1 ASP A 41 4.063 -16.199 5.960 1.00 0.00 O ATOM 572 OD2 ASP A 41 1.948 -16.547 6.447 1.00 0.00 O ATOM 0 H ASP A 41 0.773 -12.672 4.574 1.00 0.00 H new ATOM 0 HA ASP A 41 3.352 -13.567 5.440 1.00 0.00 H new ATOM 0 HB2 ASP A 41 1.401 -15.507 4.245 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.050 -15.564 3.654 1.00 0.00 H new ATOM 577 N GLU A 42 4.055 -12.358 3.412 1.00 0.00 N ATOM 578 CA GLU A 42 4.523 -11.655 2.223 1.00 0.00 C ATOM 579 C GLU A 42 5.676 -12.407 1.565 1.00 0.00 C ATOM 580 O GLU A 42 6.369 -11.870 0.700 1.00 0.00 O ATOM 581 CB GLU A 42 4.963 -10.235 2.582 1.00 0.00 C ATOM 582 CG GLU A 42 6.256 -10.182 3.379 1.00 0.00 C ATOM 583 CD GLU A 42 6.429 -8.873 4.125 1.00 0.00 C ATOM 584 OE1 GLU A 42 5.742 -8.681 5.150 1.00 0.00 O ATOM 585 OE2 GLU A 42 7.250 -8.042 3.685 1.00 0.00 O ATOM 0 H GLU A 42 4.654 -12.248 4.230 1.00 0.00 H new ATOM 0 HA GLU A 42 3.696 -11.602 1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.087 -9.659 1.665 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.172 -9.753 3.156 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.273 -11.007 4.091 1.00 0.00 H new ATOM 0 HG3 GLU A 42 7.100 -10.326 2.705 1.00 0.00 H new ATOM 592 N PHE A 43 5.878 -13.652 1.983 1.00 0.00 N ATOM 593 CA PHE A 43 6.949 -14.478 1.437 1.00 0.00 C ATOM 594 C PHE A 43 6.603 -14.955 0.029 1.00 0.00 C ATOM 595 O PHE A 43 7.487 -15.297 -0.757 1.00 0.00 O ATOM 596 CB PHE A 43 7.208 -15.681 2.346 1.00 0.00 C ATOM 597 CG PHE A 43 8.015 -15.346 3.568 1.00 0.00 C ATOM 598 CD1 PHE A 43 7.539 -14.438 4.501 1.00 0.00 C ATOM 599 CD2 PHE A 43 9.249 -15.938 3.784 1.00 0.00 C ATOM 600 CE1 PHE A 43 8.278 -14.128 5.627 1.00 0.00 C ATOM 601 CE2 PHE A 43 9.992 -15.631 4.908 1.00 0.00 C ATOM 602 CZ PHE A 43 9.507 -14.725 5.830 1.00 0.00 C ATOM 0 H PHE A 43 5.314 -14.111 2.698 1.00 0.00 H new ATOM 0 HA PHE A 43 7.852 -13.870 1.384 1.00 0.00 H new ATOM 0 HB2 PHE A 43 6.253 -16.104 2.656 1.00 0.00 H new ATOM 0 HB3 PHE A 43 7.728 -16.451 1.777 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.579 -13.967 4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 43 9.634 -16.647 3.066 1.00 0.00 H new ATOM 0 HE1 PHE A 43 7.895 -13.420 6.347 1.00 0.00 H new ATOM 0 HE2 PHE A 43 10.952 -16.100 5.065 1.00 0.00 H new ATOM 0 HZ PHE A 43 10.087 -14.484 6.708 1.00 0.00 H new ATOM 612 N SER A 44 5.311 -14.977 -0.281 1.00 0.00 N ATOM 613 CA SER A 44 4.847 -15.416 -1.592 1.00 0.00 C ATOM 614 C SER A 44 4.846 -14.258 -2.585 1.00 0.00 C ATOM 615 O SER A 44 5.203 -14.426 -3.751 1.00 0.00 O ATOM 616 CB SER A 44 3.442 -16.013 -1.486 1.00 0.00 C ATOM 617 OG SER A 44 3.326 -16.843 -0.344 1.00 0.00 O ATOM 0 H SER A 44 4.567 -14.696 0.358 1.00 0.00 H new ATOM 0 HA SER A 44 5.533 -16.181 -1.954 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.706 -15.211 -1.433 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.220 -16.591 -2.383 1.00 0.00 H new ATOM 0 HG SER A 44 2.419 -17.211 -0.298 1.00 0.00 H new ATOM 623 N ILE A 45 4.443 -13.083 -2.113 1.00 0.00 N ATOM 624 CA ILE A 45 4.397 -11.896 -2.957 1.00 0.00 C ATOM 625 C ILE A 45 5.779 -11.556 -3.504 1.00 0.00 C ATOM 626 O ILE A 45 6.771 -11.592 -2.777 1.00 0.00 O ATOM 627 CB ILE A 45 3.847 -10.680 -2.189 1.00 0.00 C ATOM 628 CG1 ILE A 45 2.480 -11.006 -1.584 1.00 0.00 C ATOM 629 CG2 ILE A 45 3.750 -9.472 -3.110 1.00 0.00 C ATOM 630 CD1 ILE A 45 1.933 -9.907 -0.700 1.00 0.00 C ATOM 0 H ILE A 45 4.144 -12.928 -1.150 1.00 0.00 H new ATOM 0 HA ILE A 45 3.727 -12.124 -3.786 1.00 0.00 H new ATOM 0 HB ILE A 45 4.534 -10.440 -1.378 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.772 -11.199 -2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.559 -11.924 -1.002 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.360 -8.620 -2.553 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.740 -9.230 -3.497 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.081 -9.700 -3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.962 -10.207 -0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 45 2.621 -9.729 0.127 1.00 0.00 H new ATOM 0 HD13 ILE A 45 1.822 -8.993 -1.283 1.00 0.00 H new ATOM 642 N SER A 46 5.836 -11.224 -4.790 1.00 0.00 N ATOM 643 CA SER A 46 7.097 -10.879 -5.435 1.00 0.00 C ATOM 644 C SER A 46 7.437 -9.409 -5.211 1.00 0.00 C ATOM 645 O SER A 46 8.594 -9.056 -4.982 1.00 0.00 O ATOM 646 CB SER A 46 7.024 -11.175 -6.935 1.00 0.00 C ATOM 647 OG SER A 46 8.306 -11.482 -7.456 1.00 0.00 O ATOM 0 H SER A 46 5.023 -11.187 -5.405 1.00 0.00 H new ATOM 0 HA SER A 46 7.884 -11.488 -4.989 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.346 -12.010 -7.112 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.611 -10.313 -7.460 1.00 0.00 H new ATOM 0 HG SER A 46 8.233 -11.669 -8.415 1.00 0.00 H new ATOM 653 N SER A 47 6.420 -8.556 -5.280 1.00 0.00 N ATOM 654 CA SER A 47 6.611 -7.122 -5.089 1.00 0.00 C ATOM 655 C SER A 47 5.300 -6.448 -4.698 1.00 0.00 C ATOM 656 O SER A 47 4.217 -6.975 -4.953 1.00 0.00 O ATOM 657 CB SER A 47 7.164 -6.486 -6.366 1.00 0.00 C ATOM 658 OG SER A 47 6.264 -6.647 -7.448 1.00 0.00 O ATOM 0 H SER A 47 5.456 -8.832 -5.467 1.00 0.00 H new ATOM 0 HA SER A 47 7.328 -6.979 -4.281 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.348 -5.425 -6.197 1.00 0.00 H new ATOM 0 HB3 SER A 47 8.123 -6.940 -6.616 1.00 0.00 H new ATOM 0 HG SER A 47 6.640 -6.230 -8.251 1.00 0.00 H new ATOM 664 N TYR A 48 5.406 -5.278 -4.077 1.00 0.00 N ATOM 665 CA TYR A 48 4.230 -4.531 -3.648 1.00 0.00 C ATOM 666 C TYR A 48 4.042 -3.276 -4.495 1.00 0.00 C ATOM 667 O TYR A 48 4.962 -2.838 -5.185 1.00 0.00 O ATOM 668 CB TYR A 48 4.353 -4.150 -2.171 1.00 0.00 C ATOM 669 CG TYR A 48 3.779 -5.184 -1.229 1.00 0.00 C ATOM 670 CD1 TYR A 48 2.408 -5.396 -1.152 1.00 0.00 C ATOM 671 CD2 TYR A 48 4.607 -5.947 -0.415 1.00 0.00 C ATOM 672 CE1 TYR A 48 1.879 -6.339 -0.292 1.00 0.00 C ATOM 673 CE2 TYR A 48 4.087 -6.893 0.446 1.00 0.00 C ATOM 674 CZ TYR A 48 2.722 -7.085 0.505 1.00 0.00 C ATOM 675 OH TYR A 48 2.200 -8.026 1.363 1.00 0.00 O ATOM 0 H TYR A 48 6.295 -4.827 -3.860 1.00 0.00 H new ATOM 0 HA TYR A 48 3.357 -5.170 -3.780 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.405 -3.996 -1.931 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.846 -3.199 -2.006 1.00 0.00 H new ATOM 0 HD1 TYR A 48 1.745 -4.814 -1.775 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.676 -5.798 -0.456 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.811 -6.491 -0.244 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.745 -7.479 1.070 1.00 0.00 H new ATOM 0 HH TYR A 48 1.243 -8.139 1.182 1.00 0.00 H new ATOM 685 N GLU A 49 2.844 -2.703 -4.435 1.00 0.00 N ATOM 686 CA GLU A 49 2.535 -1.499 -5.196 1.00 0.00 C ATOM 687 C GLU A 49 1.814 -0.474 -4.325 1.00 0.00 C ATOM 688 O GLU A 49 0.902 -0.816 -3.571 1.00 0.00 O ATOM 689 CB GLU A 49 1.675 -1.845 -6.414 1.00 0.00 C ATOM 690 CG GLU A 49 1.877 -0.904 -7.589 1.00 0.00 C ATOM 691 CD GLU A 49 2.984 -1.361 -8.519 1.00 0.00 C ATOM 692 OE1 GLU A 49 4.052 -1.769 -8.016 1.00 0.00 O ATOM 693 OE2 GLU A 49 2.782 -1.312 -9.750 1.00 0.00 O ATOM 0 H GLU A 49 2.072 -3.053 -3.867 1.00 0.00 H new ATOM 0 HA GLU A 49 3.475 -1.064 -5.536 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.902 -2.863 -6.731 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.625 -1.829 -6.123 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.946 -0.824 -8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 49 2.110 0.093 -7.215 1.00 0.00 H new ATOM 700 N LEU A 50 2.230 0.783 -4.434 1.00 0.00 N ATOM 701 CA LEU A 50 1.625 1.859 -3.656 1.00 0.00 C ATOM 702 C LEU A 50 0.801 2.779 -4.550 1.00 0.00 C ATOM 703 O LEU A 50 1.307 3.324 -5.530 1.00 0.00 O ATOM 704 CB LEU A 50 2.707 2.664 -2.935 1.00 0.00 C ATOM 705 CG LEU A 50 2.221 3.603 -1.831 1.00 0.00 C ATOM 706 CD1 LEU A 50 1.836 2.814 -0.589 1.00 0.00 C ATOM 707 CD2 LEU A 50 3.290 4.634 -1.499 1.00 0.00 C ATOM 0 H LEU A 50 2.983 1.082 -5.053 1.00 0.00 H new ATOM 0 HA LEU A 50 0.961 1.411 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.423 1.966 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.246 3.255 -3.675 1.00 0.00 H new ATOM 0 HG LEU A 50 1.336 4.128 -2.191 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.493 3.500 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.037 2.115 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.702 2.261 -0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.927 5.294 -0.711 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.193 4.126 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.517 5.222 -2.388 1.00 0.00 H new ATOM 719 N GLN A 51 -0.471 2.950 -4.202 1.00 0.00 N ATOM 720 CA GLN A 51 -1.365 3.807 -4.972 1.00 0.00 C ATOM 721 C GLN A 51 -1.913 4.938 -4.109 1.00 0.00 C ATOM 722 O GLN A 51 -2.655 4.701 -3.155 1.00 0.00 O ATOM 723 CB GLN A 51 -2.518 2.986 -5.551 1.00 0.00 C ATOM 724 CG GLN A 51 -2.068 1.890 -6.503 1.00 0.00 C ATOM 725 CD GLN A 51 -3.192 1.386 -7.387 1.00 0.00 C ATOM 726 OE1 GLN A 51 -4.288 1.946 -7.397 1.00 0.00 O ATOM 727 NE2 GLN A 51 -2.925 0.322 -8.135 1.00 0.00 N ATOM 0 H GLN A 51 -0.905 2.507 -3.392 1.00 0.00 H new ATOM 0 HA GLN A 51 -0.793 4.245 -5.790 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.079 2.536 -4.732 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.201 3.654 -6.076 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.260 2.268 -7.129 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.663 1.058 -5.927 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.002 -0.111 -8.095 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.643 -0.063 -8.749 1.00 0.00 H new ATOM 736 N TYR A 52 -1.542 6.168 -4.449 1.00 0.00 N ATOM 737 CA TYR A 52 -1.995 7.336 -3.703 1.00 0.00 C ATOM 738 C TYR A 52 -2.542 8.405 -4.644 1.00 0.00 C ATOM 739 O TYR A 52 -2.052 8.577 -5.761 1.00 0.00 O ATOM 740 CB TYR A 52 -0.847 7.911 -2.871 1.00 0.00 C ATOM 741 CG TYR A 52 0.337 8.355 -3.699 1.00 0.00 C ATOM 742 CD1 TYR A 52 1.227 7.428 -4.228 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.567 9.702 -3.952 1.00 0.00 C ATOM 744 CE1 TYR A 52 2.311 7.829 -4.984 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.648 10.112 -4.709 1.00 0.00 C ATOM 746 CZ TYR A 52 2.517 9.172 -5.222 1.00 0.00 C ATOM 747 OH TYR A 52 3.595 9.576 -5.976 1.00 0.00 O ATOM 0 H TYR A 52 -0.929 6.382 -5.236 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.797 7.021 -3.035 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.216 8.760 -2.296 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.517 7.159 -2.154 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.068 6.376 -4.045 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.111 10.441 -3.550 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.994 7.095 -5.387 1.00 0.00 H new ATOM 0 HE2 TYR A 52 1.811 11.163 -4.898 1.00 0.00 H new ATOM 0 HH TYR A 52 3.595 10.553 -6.050 1.00 0.00 H new ATOM 757 N THR A 53 -3.562 9.123 -4.184 1.00 0.00 N ATOM 758 CA THR A 53 -4.177 10.175 -4.982 1.00 0.00 C ATOM 759 C THR A 53 -4.868 11.206 -4.096 1.00 0.00 C ATOM 760 O THR A 53 -5.424 10.866 -3.051 1.00 0.00 O ATOM 761 CB THR A 53 -5.204 9.599 -5.976 1.00 0.00 C ATOM 762 OG1 THR A 53 -5.504 10.567 -6.987 1.00 0.00 O ATOM 763 CG2 THR A 53 -6.483 9.195 -5.259 1.00 0.00 C ATOM 0 H THR A 53 -3.979 8.994 -3.262 1.00 0.00 H new ATOM 0 HA THR A 53 -3.374 10.658 -5.539 1.00 0.00 H new ATOM 0 HB THR A 53 -4.770 8.713 -6.439 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.156 10.192 -7.615 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.193 8.791 -5.981 1.00 0.00 H new ATOM 0 HG22 THR A 53 -6.256 8.436 -4.510 1.00 0.00 H new ATOM 0 HG23 THR A 53 -6.918 10.067 -4.771 1.00 0.00 H new ATOM 771 N ILE A 54 -4.829 12.464 -4.520 1.00 0.00 N ATOM 772 CA ILE A 54 -5.453 13.544 -3.765 1.00 0.00 C ATOM 773 C ILE A 54 -6.973 13.480 -3.869 1.00 0.00 C ATOM 774 O ILE A 54 -7.531 13.468 -4.966 1.00 0.00 O ATOM 775 CB ILE A 54 -4.974 14.923 -4.254 1.00 0.00 C ATOM 776 CG1 ILE A 54 -3.463 15.061 -4.059 1.00 0.00 C ATOM 777 CG2 ILE A 54 -5.711 16.032 -3.517 1.00 0.00 C ATOM 778 CD1 ILE A 54 -2.813 16.022 -5.031 1.00 0.00 C ATOM 0 H ILE A 54 -4.372 12.761 -5.382 1.00 0.00 H new ATOM 0 HA ILE A 54 -5.156 13.414 -2.724 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.194 15.011 -5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.265 15.397 -3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.000 14.080 -4.166 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.361 17.001 -3.874 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.782 15.942 -3.701 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -5.519 15.948 -2.447 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.742 16.070 -4.834 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -2.979 15.676 -6.051 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.249 17.014 -4.909 1.00 0.00 H new ATOM 790 N PHE A 55 -7.638 13.440 -2.719 1.00 0.00 N ATOM 791 CA PHE A 55 -9.094 13.378 -2.680 1.00 0.00 C ATOM 792 C PHE A 55 -9.683 14.704 -2.206 1.00 0.00 C ATOM 793 O PHE A 55 -9.483 15.113 -1.062 1.00 0.00 O ATOM 794 CB PHE A 55 -9.554 12.246 -1.758 1.00 0.00 C ATOM 795 CG PHE A 55 -11.033 11.991 -1.812 1.00 0.00 C ATOM 796 CD1 PHE A 55 -11.915 12.808 -1.123 1.00 0.00 C ATOM 797 CD2 PHE A 55 -11.541 10.936 -2.553 1.00 0.00 C ATOM 798 CE1 PHE A 55 -13.277 12.575 -1.171 1.00 0.00 C ATOM 799 CE2 PHE A 55 -12.902 10.699 -2.605 1.00 0.00 C ATOM 800 CZ PHE A 55 -13.771 11.520 -1.913 1.00 0.00 C ATOM 0 H PHE A 55 -7.192 13.449 -1.802 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.450 13.182 -3.691 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.026 11.331 -2.028 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.272 12.486 -0.733 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -11.535 13.635 -0.542 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -10.866 10.291 -3.096 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -13.954 13.218 -0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.285 9.873 -3.186 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.835 11.337 -1.952 1.00 0.00 H new ATOM 1050 N MET A 72 -1.393 7.926 -8.561 1.00 0.00 N ATOM 1051 CA MET A 72 0.054 7.752 -8.610 1.00 0.00 C ATOM 1052 C MET A 72 0.448 6.344 -8.176 1.00 0.00 C ATOM 1053 O MET A 72 -0.160 5.771 -7.272 1.00 0.00 O ATOM 1054 CB MET A 72 0.744 8.786 -7.717 1.00 0.00 C ATOM 1055 CG MET A 72 1.058 10.091 -8.429 1.00 0.00 C ATOM 1056 SD MET A 72 -0.375 11.179 -8.549 1.00 0.00 S ATOM 1057 CE MET A 72 -0.707 11.495 -6.818 1.00 0.00 C ATOM 0 HA MET A 72 0.378 7.899 -9.640 1.00 0.00 H new ATOM 0 HB2 MET A 72 0.107 8.995 -6.858 1.00 0.00 H new ATOM 0 HB3 MET A 72 1.670 8.360 -7.331 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.858 10.607 -7.898 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.429 9.874 -9.431 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.536 12.198 -6.729 1.00 0.00 H new ATOM 0 HE2 MET A 72 -0.968 10.561 -6.321 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.181 11.919 -6.349 1.00 0.00 H new ATOM 1067 N ILE A 73 1.468 5.793 -8.826 1.00 0.00 N ATOM 1068 CA ILE A 73 1.943 4.453 -8.505 1.00 0.00 C ATOM 1069 C ILE A 73 3.457 4.434 -8.325 1.00 0.00 C ATOM 1070 O ILE A 73 4.186 5.130 -9.032 1.00 0.00 O ATOM 1071 CB ILE A 73 1.555 3.442 -9.600 1.00 0.00 C ATOM 1072 CG1 ILE A 73 0.040 3.445 -9.815 1.00 0.00 C ATOM 1073 CG2 ILE A 73 2.039 2.048 -9.230 1.00 0.00 C ATOM 1074 CD1 ILE A 73 -0.433 4.525 -10.763 1.00 0.00 C ATOM 0 H ILE A 73 1.981 6.254 -9.578 1.00 0.00 H new ATOM 0 HA ILE A 73 1.465 4.165 -7.569 1.00 0.00 H new ATOM 0 HB ILE A 73 2.036 3.737 -10.532 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -0.266 2.473 -10.202 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -0.455 3.575 -8.853 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.757 1.345 -10.014 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.124 2.056 -9.123 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.584 1.743 -8.288 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.516 4.468 -10.868 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.158 5.503 -10.367 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.034 4.384 -11.738 1.00 0.00 H new ATOM 1086 N VAL A 74 3.924 3.631 -7.374 1.00 0.00 N ATOM 1087 CA VAL A 74 5.352 3.519 -7.103 1.00 0.00 C ATOM 1088 C VAL A 74 5.778 2.059 -6.997 1.00 0.00 C ATOM 1089 O VAL A 74 5.721 1.446 -5.931 1.00 0.00 O ATOM 1090 CB VAL A 74 5.735 4.250 -5.802 1.00 0.00 C ATOM 1091 CG1 VAL A 74 7.197 4.002 -5.460 1.00 0.00 C ATOM 1092 CG2 VAL A 74 5.454 5.740 -5.926 1.00 0.00 C ATOM 0 H VAL A 74 3.334 3.049 -6.779 1.00 0.00 H new ATOM 0 HA VAL A 74 5.871 3.986 -7.940 1.00 0.00 H new ATOM 0 HB VAL A 74 5.125 3.854 -4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.449 4.526 -4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.363 2.933 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.827 4.369 -6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.730 6.241 -4.998 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.037 6.153 -6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 74 4.393 5.895 -6.120 1.00 0.00 H new ATOM 1102 N PRO A 75 6.217 1.487 -8.128 1.00 0.00 N ATOM 1103 CA PRO A 75 6.663 0.092 -8.188 1.00 0.00 C ATOM 1104 C PRO A 75 7.979 -0.128 -7.450 1.00 0.00 C ATOM 1105 O PRO A 75 8.566 0.811 -6.914 1.00 0.00 O ATOM 1106 CB PRO A 75 6.843 -0.158 -9.688 1.00 0.00 C ATOM 1107 CG PRO A 75 7.103 1.189 -10.268 1.00 0.00 C ATOM 1108 CD PRO A 75 6.313 2.159 -9.435 1.00 0.00 C ATOM 0 HA PRO A 75 5.953 -0.584 -7.711 1.00 0.00 H new ATOM 0 HB2 PRO A 75 7.673 -0.838 -9.879 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.953 -0.611 -10.123 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.166 1.427 -10.240 1.00 0.00 H new ATOM 0 HG3 PRO A 75 6.794 1.230 -11.313 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.816 3.123 -9.355 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.329 2.348 -9.863 1.00 0.00 H new ATOM 1116 N ASN A 76 8.438 -1.375 -7.428 1.00 0.00 N ATOM 1117 CA ASN A 76 9.686 -1.719 -6.755 1.00 0.00 C ATOM 1118 C ASN A 76 9.591 -1.441 -5.258 1.00 0.00 C ATOM 1119 O ASN A 76 10.429 -0.738 -4.693 1.00 0.00 O ATOM 1120 CB ASN A 76 10.849 -0.930 -7.359 1.00 0.00 C ATOM 1121 CG ASN A 76 11.034 -1.212 -8.837 1.00 0.00 C ATOM 1122 OD1 ASN A 76 11.370 -2.330 -9.230 1.00 0.00 O ATOM 1123 ND2 ASN A 76 10.814 -0.198 -9.666 1.00 0.00 N ATOM 0 H ASN A 76 7.965 -2.164 -7.868 1.00 0.00 H new ATOM 0 HA ASN A 76 9.866 -2.785 -6.898 1.00 0.00 H new ATOM 0 HB2 ASN A 76 10.675 0.136 -7.215 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.768 -1.178 -6.827 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.922 -0.329 -10.672 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.537 0.712 -9.297 1.00 0.00 H new ATOM 1130 N ILE A 77 8.566 -1.998 -4.622 1.00 0.00 N ATOM 1131 CA ILE A 77 8.362 -1.811 -3.191 1.00 0.00 C ATOM 1132 C ILE A 77 8.541 -3.123 -2.435 1.00 0.00 C ATOM 1133 O ILE A 77 7.670 -3.993 -2.463 1.00 0.00 O ATOM 1134 CB ILE A 77 6.962 -1.245 -2.890 1.00 0.00 C ATOM 1135 CG1 ILE A 77 6.697 -0.002 -3.742 1.00 0.00 C ATOM 1136 CG2 ILE A 77 6.830 -0.918 -1.410 1.00 0.00 C ATOM 1137 CD1 ILE A 77 5.369 0.660 -3.448 1.00 0.00 C ATOM 0 H ILE A 77 7.864 -2.583 -5.075 1.00 0.00 H new ATOM 0 HA ILE A 77 9.113 -1.095 -2.856 1.00 0.00 H new ATOM 0 HB ILE A 77 6.218 -2.001 -3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 77 7.498 0.719 -3.577 1.00 0.00 H new ATOM 0 HG13 ILE A 77 6.730 -0.280 -4.796 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.835 -0.519 -1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 77 6.981 -1.824 -0.822 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.580 -0.177 -1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.248 1.534 -4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.560 -0.045 -3.640 1.00 0.00 H new ATOM 0 HD13 ILE A 77 5.340 0.969 -2.403 1.00 0.00 H new ATOM 1149 N LYS A 78 9.676 -3.259 -1.757 1.00 0.00 N ATOM 1150 CA LYS A 78 9.969 -4.464 -0.989 1.00 0.00 C ATOM 1151 C LYS A 78 10.008 -4.161 0.505 1.00 0.00 C ATOM 1152 O LYS A 78 10.857 -4.678 1.230 1.00 0.00 O ATOM 1153 CB LYS A 78 11.305 -5.064 -1.434 1.00 0.00 C ATOM 1154 CG LYS A 78 11.420 -5.245 -2.937 1.00 0.00 C ATOM 1155 CD LYS A 78 10.658 -6.471 -3.411 1.00 0.00 C ATOM 1156 CE LYS A 78 10.767 -6.646 -4.918 1.00 0.00 C ATOM 1157 NZ LYS A 78 10.085 -5.547 -5.656 1.00 0.00 N ATOM 0 H LYS A 78 10.408 -2.550 -1.724 1.00 0.00 H new ATOM 0 HA LYS A 78 9.173 -5.186 -1.174 1.00 0.00 H new ATOM 0 HB2 LYS A 78 12.115 -4.420 -1.091 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.439 -6.031 -0.949 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.035 -4.359 -3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.470 -5.339 -3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.047 -7.358 -2.911 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.609 -6.380 -3.129 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.818 -6.678 -5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.329 -7.602 -5.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 9.867 -5.861 -6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.203 -5.295 -5.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 10.709 -4.716 -5.695 1.00 0.00 H new ATOM 1171 N GLN A 79 9.083 -3.320 0.958 1.00 0.00 N ATOM 1172 CA GLN A 79 9.012 -2.950 2.367 1.00 0.00 C ATOM 1173 C GLN A 79 7.578 -3.027 2.878 1.00 0.00 C ATOM 1174 O GLN A 79 6.643 -3.235 2.106 1.00 0.00 O ATOM 1175 CB GLN A 79 9.565 -1.539 2.573 1.00 0.00 C ATOM 1176 CG GLN A 79 8.872 -0.484 1.725 1.00 0.00 C ATOM 1177 CD GLN A 79 9.753 0.721 1.458 1.00 0.00 C ATOM 1178 OE1 GLN A 79 10.892 0.786 1.920 1.00 0.00 O ATOM 1179 NE2 GLN A 79 9.228 1.683 0.708 1.00 0.00 N ATOM 0 H GLN A 79 8.373 -2.883 0.370 1.00 0.00 H new ATOM 0 HA GLN A 79 9.618 -3.657 2.934 1.00 0.00 H new ATOM 0 HB2 GLN A 79 9.468 -1.269 3.625 1.00 0.00 H new ATOM 0 HB3 GLN A 79 10.630 -1.538 2.341 1.00 0.00 H new ATOM 0 HG2 GLN A 79 8.571 -0.927 0.776 1.00 0.00 H new ATOM 0 HG3 GLN A 79 7.961 -0.159 2.228 1.00 0.00 H new ATOM 0 HE21 GLN A 79 8.279 1.587 0.346 1.00 0.00 H new ATOM 0 HE22 GLN A 79 9.773 2.518 0.494 1.00 0.00 H new ATOM 1188 N ASN A 80 7.411 -2.857 4.186 1.00 0.00 N ATOM 1189 CA ASN A 80 6.090 -2.908 4.801 1.00 0.00 C ATOM 1190 C ASN A 80 5.535 -1.504 5.015 1.00 0.00 C ATOM 1191 O ASN A 80 4.520 -1.321 5.689 1.00 0.00 O ATOM 1192 CB ASN A 80 6.155 -3.652 6.137 1.00 0.00 C ATOM 1193 CG ASN A 80 6.403 -5.138 5.960 1.00 0.00 C ATOM 1194 OD1 ASN A 80 7.519 -5.620 6.157 1.00 0.00 O ATOM 1195 ND2 ASN A 80 5.361 -5.871 5.586 1.00 0.00 N ATOM 0 H ASN A 80 8.174 -2.683 4.840 1.00 0.00 H new ATOM 0 HA ASN A 80 5.423 -3.444 4.126 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.949 -3.224 6.750 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.220 -3.504 6.678 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.467 -6.876 5.451 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.455 -5.429 5.434 1.00 0.00 H new ATOM 1202 N HIS A 81 6.207 -0.513 4.437 1.00 0.00 N ATOM 1203 CA HIS A 81 5.780 0.876 4.563 1.00 0.00 C ATOM 1204 C HIS A 81 6.586 1.778 3.634 1.00 0.00 C ATOM 1205 O HIS A 81 7.817 1.773 3.660 1.00 0.00 O ATOM 1206 CB HIS A 81 5.931 1.349 6.009 1.00 0.00 C ATOM 1207 CG HIS A 81 7.198 0.886 6.661 1.00 0.00 C ATOM 1208 ND1 HIS A 81 7.228 -0.072 7.653 1.00 0.00 N ATOM 1209 CD2 HIS A 81 8.485 1.254 6.457 1.00 0.00 C ATOM 1210 CE1 HIS A 81 8.477 -0.271 8.032 1.00 0.00 C ATOM 1211 NE2 HIS A 81 9.260 0.520 7.321 1.00 0.00 N ATOM 0 H HIS A 81 7.049 -0.646 3.877 1.00 0.00 H new ATOM 0 HA HIS A 81 4.730 0.935 4.277 1.00 0.00 H new ATOM 0 HB2 HIS A 81 5.897 2.438 6.032 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.081 0.991 6.590 1.00 0.00 H new ATOM 0 HD2 HIS A 81 8.837 1.988 5.747 1.00 0.00 H new ATOM 0 HE1 HIS A 81 8.803 -0.963 8.794 1.00 0.00 H new ATOM 0 HE2 HIS A 81 10.275 0.577 7.401 1.00 0.00 H new ATOM 1220 N TYR A 82 5.884 2.552 2.813 1.00 0.00 N ATOM 1221 CA TYR A 82 6.534 3.457 1.873 1.00 0.00 C ATOM 1222 C TYR A 82 6.200 4.910 2.196 1.00 0.00 C ATOM 1223 O TYR A 82 5.031 5.286 2.287 1.00 0.00 O ATOM 1224 CB TYR A 82 6.108 3.131 0.440 1.00 0.00 C ATOM 1225 CG TYR A 82 6.765 4.007 -0.602 1.00 0.00 C ATOM 1226 CD1 TYR A 82 6.427 5.350 -0.721 1.00 0.00 C ATOM 1227 CD2 TYR A 82 7.723 3.493 -1.467 1.00 0.00 C ATOM 1228 CE1 TYR A 82 7.025 6.155 -1.672 1.00 0.00 C ATOM 1229 CE2 TYR A 82 8.326 4.291 -2.420 1.00 0.00 C ATOM 1230 CZ TYR A 82 7.974 5.621 -2.519 1.00 0.00 C ATOM 1231 OH TYR A 82 8.571 6.418 -3.467 1.00 0.00 O ATOM 0 H TYR A 82 4.865 2.570 2.780 1.00 0.00 H new ATOM 0 HA TYR A 82 7.612 3.321 1.964 1.00 0.00 H new ATOM 0 HB2 TYR A 82 6.345 2.089 0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 82 5.026 3.234 0.359 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.685 5.771 -0.059 1.00 0.00 H new ATOM 0 HD2 TYR A 82 8.001 2.452 -1.393 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.751 7.197 -1.752 1.00 0.00 H new ATOM 0 HE2 TYR A 82 9.069 3.876 -3.084 1.00 0.00 H new ATOM 0 HH TYR A 82 9.216 5.888 -3.980 1.00 0.00 H new ATOM 1241 N THR A 83 7.237 5.724 2.368 1.00 0.00 N ATOM 1242 CA THR A 83 7.055 7.136 2.682 1.00 0.00 C ATOM 1243 C THR A 83 6.896 7.965 1.413 1.00 0.00 C ATOM 1244 O THR A 83 7.861 8.197 0.685 1.00 0.00 O ATOM 1245 CB THR A 83 8.241 7.687 3.496 1.00 0.00 C ATOM 1246 OG1 THR A 83 8.568 6.785 4.559 1.00 0.00 O ATOM 1247 CG2 THR A 83 7.913 9.057 4.070 1.00 0.00 C ATOM 0 H THR A 83 8.211 5.430 2.295 1.00 0.00 H new ATOM 0 HA THR A 83 6.146 7.213 3.279 1.00 0.00 H new ATOM 0 HB THR A 83 9.097 7.785 2.828 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.911 6.878 5.280 1.00 0.00 H new ATOM 0 HG21 THR A 83 8.765 9.426 4.641 1.00 0.00 H new ATOM 0 HG22 THR A 83 7.694 9.749 3.257 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.045 8.979 4.724 1.00 0.00 H new ATOM 1255 N VAL A 84 5.671 8.411 1.153 1.00 0.00 N ATOM 1256 CA VAL A 84 5.385 9.217 -0.028 1.00 0.00 C ATOM 1257 C VAL A 84 5.769 10.675 0.195 1.00 0.00 C ATOM 1258 O VAL A 84 5.148 11.376 0.995 1.00 0.00 O ATOM 1259 CB VAL A 84 3.895 9.142 -0.412 1.00 0.00 C ATOM 1260 CG1 VAL A 84 3.620 9.979 -1.652 1.00 0.00 C ATOM 1261 CG2 VAL A 84 3.473 7.697 -0.629 1.00 0.00 C ATOM 0 H VAL A 84 4.861 8.228 1.745 1.00 0.00 H new ATOM 0 HA VAL A 84 5.983 8.808 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 84 3.305 9.549 0.409 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.562 9.914 -1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.882 11.018 -1.455 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.218 9.605 -2.483 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.418 7.663 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.068 7.261 -1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.631 7.130 0.289 1.00 0.00 H new ATOM 1271 N HIS A 85 6.797 11.127 -0.517 1.00 0.00 N ATOM 1272 CA HIS A 85 7.263 12.503 -0.397 1.00 0.00 C ATOM 1273 C HIS A 85 6.691 13.370 -1.515 1.00 0.00 C ATOM 1274 O HIS A 85 6.475 12.899 -2.631 1.00 0.00 O ATOM 1275 CB HIS A 85 8.791 12.551 -0.431 1.00 0.00 C ATOM 1276 CG HIS A 85 9.429 12.227 0.885 1.00 0.00 C ATOM 1277 ND1 HIS A 85 10.078 13.166 1.659 1.00 0.00 N ATOM 1278 CD2 HIS A 85 9.514 11.059 1.564 1.00 0.00 C ATOM 1279 CE1 HIS A 85 10.536 12.589 2.756 1.00 0.00 C ATOM 1280 NE2 HIS A 85 10.207 11.311 2.723 1.00 0.00 N ATOM 0 H HIS A 85 7.322 10.560 -1.183 1.00 0.00 H new ATOM 0 HA HIS A 85 6.915 12.896 0.558 1.00 0.00 H new ATOM 0 HB2 HIS A 85 9.152 11.849 -1.183 1.00 0.00 H new ATOM 0 HB3 HIS A 85 9.108 13.546 -0.744 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.112 10.106 1.252 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.086 13.080 3.545 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.431 10.622 3.441 1.00 0.00 H new ATOM 1289 N GLY A 86 6.447 14.640 -1.207 1.00 0.00 N ATOM 1290 CA GLY A 86 5.901 15.552 -2.195 1.00 0.00 C ATOM 1291 C GLY A 86 4.387 15.619 -2.149 1.00 0.00 C ATOM 1292 O GLY A 86 3.726 15.621 -3.188 1.00 0.00 O ATOM 0 H GLY A 86 6.618 15.054 -0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.311 16.549 -2.031 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.218 15.237 -3.189 1.00 0.00 H new ATOM 1296 N LEU A 87 3.836 15.672 -0.942 1.00 0.00 N ATOM 1297 CA LEU A 87 2.390 15.738 -0.763 1.00 0.00 C ATOM 1298 C LEU A 87 1.953 17.144 -0.365 1.00 0.00 C ATOM 1299 O LEU A 87 2.777 18.052 -0.258 1.00 0.00 O ATOM 1300 CB LEU A 87 1.941 14.732 0.298 1.00 0.00 C ATOM 1301 CG LEU A 87 2.318 13.273 0.043 1.00 0.00 C ATOM 1302 CD1 LEU A 87 2.285 12.478 1.339 1.00 0.00 C ATOM 1303 CD2 LEU A 87 1.386 12.654 -0.988 1.00 0.00 C ATOM 0 H LEU A 87 4.369 15.671 -0.072 1.00 0.00 H new ATOM 0 HA LEU A 87 1.920 15.488 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 87 2.363 15.033 1.257 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.857 14.795 0.393 1.00 0.00 H new ATOM 0 HG LEU A 87 3.334 13.244 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 87 2.556 11.442 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 87 2.994 12.907 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.281 12.514 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.669 11.615 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.360 12.696 -0.622 1.00 0.00 H new ATOM 0 HD23 LEU A 87 1.460 13.207 -1.924 1.00 0.00 H new ATOM 1315 N GLN A 88 0.654 17.315 -0.146 1.00 0.00 N ATOM 1316 CA GLN A 88 0.109 18.611 0.242 1.00 0.00 C ATOM 1317 C GLN A 88 -0.294 18.613 1.713 1.00 0.00 C ATOM 1318 O GLN A 88 -0.808 17.620 2.228 1.00 0.00 O ATOM 1319 CB GLN A 88 -1.097 18.963 -0.630 1.00 0.00 C ATOM 1320 CG GLN A 88 -0.806 18.910 -2.121 1.00 0.00 C ATOM 1321 CD GLN A 88 0.343 19.813 -2.523 1.00 0.00 C ATOM 1322 OE1 GLN A 88 0.480 20.926 -2.015 1.00 0.00 O ATOM 1323 NE2 GLN A 88 1.177 19.338 -3.441 1.00 0.00 N ATOM 0 H GLN A 88 -0.041 16.573 -0.230 1.00 0.00 H new ATOM 0 HA GLN A 88 0.885 19.362 0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.912 18.276 -0.403 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.442 19.964 -0.371 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -0.574 17.884 -2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -1.701 19.199 -2.673 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.026 18.410 -3.836 1.00 0.00 H new ATOM 0 HE22 GLN A 88 1.969 19.901 -3.751 1.00 0.00 H new ATOM 1332 N SER A 89 -0.058 19.736 2.385 1.00 0.00 N ATOM 1333 CA SER A 89 -0.393 19.866 3.798 1.00 0.00 C ATOM 1334 C SER A 89 -1.871 20.198 3.978 1.00 0.00 C ATOM 1335 O SER A 89 -2.422 21.037 3.266 1.00 0.00 O ATOM 1336 CB SER A 89 0.467 20.950 4.450 1.00 0.00 C ATOM 1337 OG SER A 89 1.750 21.012 3.851 1.00 0.00 O ATOM 0 H SER A 89 0.364 20.568 1.973 1.00 0.00 H new ATOM 0 HA SER A 89 -0.191 18.911 4.283 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.028 21.916 4.357 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.569 20.745 5.516 1.00 0.00 H new ATOM 0 HG SER A 89 2.280 21.713 4.284 1.00 0.00 H new ATOM 1343 N GLY A 90 -2.509 19.531 4.935 1.00 0.00 N ATOM 1344 CA GLY A 90 -3.918 19.768 5.192 1.00 0.00 C ATOM 1345 C GLY A 90 -4.797 19.352 4.029 1.00 0.00 C ATOM 1346 O GLY A 90 -5.691 20.093 3.620 1.00 0.00 O ATOM 0 H GLY A 90 -2.076 18.831 5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.219 19.220 6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.073 20.827 5.400 1.00 0.00 H new ATOM 1350 N THR A 91 -4.543 18.162 3.493 1.00 0.00 N ATOM 1351 CA THR A 91 -5.316 17.650 2.369 1.00 0.00 C ATOM 1352 C THR A 91 -5.559 16.151 2.507 1.00 0.00 C ATOM 1353 O THR A 91 -4.717 15.421 3.030 1.00 0.00 O ATOM 1354 CB THR A 91 -4.607 17.922 1.029 1.00 0.00 C ATOM 1355 OG1 THR A 91 -4.494 19.333 0.813 1.00 0.00 O ATOM 1356 CG2 THR A 91 -5.368 17.287 -0.125 1.00 0.00 C ATOM 0 H THR A 91 -3.808 17.535 3.820 1.00 0.00 H new ATOM 0 HA THR A 91 -6.272 18.173 2.378 1.00 0.00 H new ATOM 0 HB THR A 91 -3.612 17.480 1.074 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.041 19.498 -0.040 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.848 17.493 -1.061 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.428 16.209 0.028 1.00 0.00 H new ATOM 0 HG23 THR A 91 -6.374 17.703 -0.170 1.00 0.00 H new ATOM 1364 N ARG A 92 -6.716 15.698 2.033 1.00 0.00 N ATOM 1365 CA ARG A 92 -7.070 14.286 2.104 1.00 0.00 C ATOM 1366 C ARG A 92 -6.270 13.473 1.090 1.00 0.00 C ATOM 1367 O ARG A 92 -6.147 13.860 -0.072 1.00 0.00 O ATOM 1368 CB ARG A 92 -8.567 14.100 1.855 1.00 0.00 C ATOM 1369 CG ARG A 92 -9.434 14.470 3.048 1.00 0.00 C ATOM 1370 CD ARG A 92 -10.815 13.841 2.950 1.00 0.00 C ATOM 1371 NE ARG A 92 -11.754 14.431 3.900 1.00 0.00 N ATOM 1372 CZ ARG A 92 -12.204 15.678 3.811 1.00 0.00 C ATOM 1373 NH1 ARG A 92 -11.804 16.461 2.819 1.00 0.00 N ATOM 1374 NH2 ARG A 92 -13.057 16.143 4.714 1.00 0.00 N ATOM 0 H ARG A 92 -7.423 16.289 1.596 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.828 13.927 3.104 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -8.863 14.707 1.000 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.756 13.060 1.588 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -8.948 14.143 3.967 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -9.530 15.554 3.107 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -11.198 13.965 1.937 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.739 12.769 3.134 1.00 0.00 H new ATOM 0 HE ARG A 92 -12.082 13.854 4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.149 16.107 2.122 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -12.151 17.418 2.753 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -13.368 15.543 5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.402 17.100 4.644 1.00 0.00 H new ATOM 1388 N TYR A 93 -5.728 12.346 1.539 1.00 0.00 N ATOM 1389 CA TYR A 93 -4.937 11.481 0.672 1.00 0.00 C ATOM 1390 C TYR A 93 -5.334 10.019 0.853 1.00 0.00 C ATOM 1391 O TYR A 93 -5.213 9.462 1.945 1.00 0.00 O ATOM 1392 CB TYR A 93 -3.446 11.656 0.964 1.00 0.00 C ATOM 1393 CG TYR A 93 -2.787 12.728 0.126 1.00 0.00 C ATOM 1394 CD1 TYR A 93 -2.780 14.055 0.541 1.00 0.00 C ATOM 1395 CD2 TYR A 93 -2.172 12.416 -1.080 1.00 0.00 C ATOM 1396 CE1 TYR A 93 -2.180 15.038 -0.222 1.00 0.00 C ATOM 1397 CE2 TYR A 93 -1.568 13.392 -1.848 1.00 0.00 C ATOM 1398 CZ TYR A 93 -1.575 14.702 -1.415 1.00 0.00 C ATOM 1399 OH TYR A 93 -0.975 15.678 -2.177 1.00 0.00 O ATOM 0 H TYR A 93 -5.822 12.011 2.498 1.00 0.00 H new ATOM 0 HA TYR A 93 -5.134 11.767 -0.361 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -3.317 11.900 2.018 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.937 10.708 0.792 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -3.251 14.322 1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.166 11.392 -1.423 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.185 16.064 0.114 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.093 13.131 -2.782 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.595 15.275 -2.985 1.00 0.00 H new ATOM 1409 N ILE A 94 -5.808 9.403 -0.225 1.00 0.00 N ATOM 1410 CA ILE A 94 -6.221 8.006 -0.187 1.00 0.00 C ATOM 1411 C ILE A 94 -5.063 7.080 -0.543 1.00 0.00 C ATOM 1412 O ILE A 94 -4.292 7.359 -1.462 1.00 0.00 O ATOM 1413 CB ILE A 94 -7.393 7.738 -1.149 1.00 0.00 C ATOM 1414 CG1 ILE A 94 -8.584 8.632 -0.798 1.00 0.00 C ATOM 1415 CG2 ILE A 94 -7.792 6.271 -1.103 1.00 0.00 C ATOM 1416 CD1 ILE A 94 -9.828 8.324 -1.602 1.00 0.00 C ATOM 0 H ILE A 94 -5.915 9.850 -1.136 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.546 7.801 0.833 1.00 0.00 H new ATOM 0 HB ILE A 94 -7.072 7.974 -2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -8.810 8.522 0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -8.306 9.674 -0.959 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -8.622 6.098 -1.788 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -6.943 5.654 -1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -8.097 6.009 -0.090 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -10.632 8.996 -1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.619 8.462 -2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -10.131 7.292 -1.423 1.00 0.00 H new ATOM 1428 N PHE A 95 -4.948 5.976 0.188 1.00 0.00 N ATOM 1429 CA PHE A 95 -3.884 5.008 -0.052 1.00 0.00 C ATOM 1430 C PHE A 95 -4.461 3.619 -0.308 1.00 0.00 C ATOM 1431 O PHE A 95 -5.395 3.188 0.371 1.00 0.00 O ATOM 1432 CB PHE A 95 -2.928 4.963 1.141 1.00 0.00 C ATOM 1433 CG PHE A 95 -2.084 6.199 1.280 1.00 0.00 C ATOM 1434 CD1 PHE A 95 -2.597 7.341 1.873 1.00 0.00 C ATOM 1435 CD2 PHE A 95 -0.779 6.218 0.816 1.00 0.00 C ATOM 1436 CE1 PHE A 95 -1.824 8.479 2.003 1.00 0.00 C ATOM 1437 CE2 PHE A 95 -0.001 7.353 0.943 1.00 0.00 C ATOM 1438 CZ PHE A 95 -0.524 8.485 1.536 1.00 0.00 C ATOM 0 H PHE A 95 -5.578 5.730 0.951 1.00 0.00 H new ATOM 0 HA PHE A 95 -3.333 5.323 -0.938 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -3.506 4.823 2.054 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -2.275 4.096 1.041 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -3.613 7.342 2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -0.365 5.336 0.350 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -2.236 9.362 2.469 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.016 7.355 0.579 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.082 9.373 1.635 1.00 0.00 H new ATOM 1448 N ILE A 96 -3.899 2.923 -1.290 1.00 0.00 N ATOM 1449 CA ILE A 96 -4.357 1.583 -1.635 1.00 0.00 C ATOM 1450 C ILE A 96 -3.190 0.694 -2.052 1.00 0.00 C ATOM 1451 O ILE A 96 -2.634 0.850 -3.139 1.00 0.00 O ATOM 1452 CB ILE A 96 -5.393 1.618 -2.774 1.00 0.00 C ATOM 1453 CG1 ILE A 96 -6.709 2.221 -2.278 1.00 0.00 C ATOM 1454 CG2 ILE A 96 -5.621 0.218 -3.326 1.00 0.00 C ATOM 1455 CD1 ILE A 96 -7.552 2.822 -3.380 1.00 0.00 C ATOM 0 H ILE A 96 -3.126 3.265 -1.861 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.825 1.170 -0.742 1.00 0.00 H new ATOM 0 HB ILE A 96 -5.007 2.246 -3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -7.286 1.447 -1.772 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.490 2.991 -1.538 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -6.356 0.259 -4.130 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -4.682 -0.178 -3.712 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -5.989 -0.431 -2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -8.469 3.230 -2.955 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -6.994 3.619 -3.872 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.802 2.051 -4.109 1.00 0.00 H new ATOM 1467 N VAL A 97 -2.825 -0.241 -1.181 1.00 0.00 N ATOM 1468 CA VAL A 97 -1.727 -1.158 -1.459 1.00 0.00 C ATOM 1469 C VAL A 97 -2.198 -2.343 -2.295 1.00 0.00 C ATOM 1470 O VAL A 97 -3.293 -2.865 -2.090 1.00 0.00 O ATOM 1471 CB VAL A 97 -1.090 -1.683 -0.158 1.00 0.00 C ATOM 1472 CG1 VAL A 97 -0.065 -2.765 -0.463 1.00 0.00 C ATOM 1473 CG2 VAL A 97 -0.456 -0.541 0.623 1.00 0.00 C ATOM 0 H VAL A 97 -3.274 -0.383 -0.276 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.980 -0.596 -2.019 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.874 -2.123 0.458 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.374 -3.123 0.468 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.552 -3.594 -0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.719 -2.354 -1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -0.011 -0.930 1.539 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.317 -0.070 0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.219 0.195 0.875 1.00 0.00 H new ATOM 1483 N LYS A 98 -1.362 -2.764 -3.238 1.00 0.00 N ATOM 1484 CA LYS A 98 -1.691 -3.889 -4.106 1.00 0.00 C ATOM 1485 C LYS A 98 -0.579 -4.934 -4.086 1.00 0.00 C ATOM 1486 O LYS A 98 0.558 -4.651 -4.463 1.00 0.00 O ATOM 1487 CB LYS A 98 -1.924 -3.404 -5.538 1.00 0.00 C ATOM 1488 CG LYS A 98 -2.042 -4.530 -6.550 1.00 0.00 C ATOM 1489 CD LYS A 98 -1.643 -4.072 -7.943 1.00 0.00 C ATOM 1490 CE LYS A 98 -2.831 -3.504 -8.705 1.00 0.00 C ATOM 1491 NZ LYS A 98 -2.698 -3.709 -10.174 1.00 0.00 N ATOM 0 H LYS A 98 -0.451 -2.343 -3.421 1.00 0.00 H new ATOM 0 HA LYS A 98 -2.606 -4.349 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.834 -2.805 -5.566 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -1.102 -2.750 -5.829 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -1.409 -5.363 -6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.067 -4.899 -6.567 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -0.862 -3.315 -7.869 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -1.222 -4.911 -8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.748 -3.978 -8.354 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -2.922 -2.439 -8.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -3.527 -3.308 -10.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.837 -3.235 -10.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -2.637 -4.727 -10.378 1.00 0.00 H new ATOM 1505 N ALA A 99 -0.917 -6.141 -3.646 1.00 0.00 N ATOM 1506 CA ALA A 99 0.052 -7.229 -3.581 1.00 0.00 C ATOM 1507 C ALA A 99 0.112 -7.990 -4.901 1.00 0.00 C ATOM 1508 O ALA A 99 -0.833 -8.689 -5.268 1.00 0.00 O ATOM 1509 CB ALA A 99 -0.292 -8.174 -2.439 1.00 0.00 C ATOM 0 H ALA A 99 -1.854 -6.391 -3.329 1.00 0.00 H new ATOM 0 HA ALA A 99 1.035 -6.797 -3.396 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.439 -8.981 -2.402 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.276 -7.627 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.286 -8.592 -2.599 1.00 0.00 H new ATOM 1515 N ILE A 100 1.227 -7.850 -5.609 1.00 0.00 N ATOM 1516 CA ILE A 100 1.409 -8.525 -6.888 1.00 0.00 C ATOM 1517 C ILE A 100 2.333 -9.729 -6.747 1.00 0.00 C ATOM 1518 O ILE A 100 3.321 -9.684 -6.016 1.00 0.00 O ATOM 1519 CB ILE A 100 1.985 -7.571 -7.951 1.00 0.00 C ATOM 1520 CG1 ILE A 100 1.065 -6.363 -8.137 1.00 0.00 C ATOM 1521 CG2 ILE A 100 2.180 -8.304 -9.270 1.00 0.00 C ATOM 1522 CD1 ILE A 100 1.331 -5.244 -7.155 1.00 0.00 C ATOM 0 H ILE A 100 2.018 -7.275 -5.319 1.00 0.00 H new ATOM 0 HA ILE A 100 0.424 -8.862 -7.210 1.00 0.00 H new ATOM 0 HB ILE A 100 2.956 -7.214 -7.609 1.00 0.00 H new ATOM 0 HG12 ILE A 100 1.181 -5.981 -9.151 1.00 0.00 H new ATOM 0 HG13 ILE A 100 0.029 -6.686 -8.035 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.588 -7.617 -10.011 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.871 -9.134 -9.126 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.221 -8.687 -9.619 1.00 0.00 H new ATOM 0 HD11 ILE A 100 0.642 -4.421 -7.346 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.186 -5.610 -6.138 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.356 -4.893 -7.272 1.00 0.00 H new ATOM 1534 N ASN A 101 2.005 -10.806 -7.454 1.00 0.00 N ATOM 1535 CA ASN A 101 2.807 -12.023 -7.409 1.00 0.00 C ATOM 1536 C ASN A 101 2.718 -12.782 -8.730 1.00 0.00 C ATOM 1537 O ASN A 101 2.026 -12.358 -9.655 1.00 0.00 O ATOM 1538 CB ASN A 101 2.344 -12.921 -6.260 1.00 0.00 C ATOM 1539 CG ASN A 101 0.945 -13.464 -6.478 1.00 0.00 C ATOM 1540 OD1 ASN A 101 0.125 -12.844 -7.155 1.00 0.00 O ATOM 1541 ND2 ASN A 101 0.667 -14.629 -5.903 1.00 0.00 N ATOM 0 H ASN A 101 1.190 -10.860 -8.065 1.00 0.00 H new ATOM 0 HA ASN A 101 3.846 -11.738 -7.243 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.040 -13.752 -6.149 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.371 -12.356 -5.328 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -0.258 -15.045 -6.014 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.378 -15.108 -5.350 1.00 0.00 H new ATOM 1548 N GLN A 102 3.424 -13.906 -8.808 1.00 0.00 N ATOM 1549 CA GLN A 102 3.424 -14.724 -10.016 1.00 0.00 C ATOM 1550 C GLN A 102 2.002 -15.099 -10.420 1.00 0.00 C ATOM 1551 O GLN A 102 1.724 -15.341 -11.594 1.00 0.00 O ATOM 1552 CB GLN A 102 4.256 -15.989 -9.799 1.00 0.00 C ATOM 1553 CG GLN A 102 4.112 -17.011 -10.916 1.00 0.00 C ATOM 1554 CD GLN A 102 4.809 -16.581 -12.192 1.00 0.00 C ATOM 1555 OE1 GLN A 102 5.978 -16.197 -12.176 1.00 0.00 O ATOM 1556 NE2 GLN A 102 4.092 -16.645 -13.308 1.00 0.00 N ATOM 0 H GLN A 102 4.002 -14.270 -8.051 1.00 0.00 H new ATOM 0 HA GLN A 102 3.868 -14.139 -10.821 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.306 -15.712 -9.705 1.00 0.00 H new ATOM 0 HB3 GLN A 102 3.962 -16.450 -8.856 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.523 -17.965 -10.586 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.054 -17.173 -11.121 1.00 0.00 H new ATOM 0 HE21 GLN A 102 3.126 -16.970 -13.275 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.508 -16.370 -14.198 1.00 0.00 H new ATOM 1565 N ALA A 103 1.106 -15.145 -9.440 1.00 0.00 N ATOM 1566 CA ALA A 103 -0.287 -15.489 -9.694 1.00 0.00 C ATOM 1567 C ALA A 103 -1.050 -14.299 -10.266 1.00 0.00 C ATOM 1568 O ALA A 103 -1.425 -14.295 -11.438 1.00 0.00 O ATOM 1569 CB ALA A 103 -0.951 -15.979 -8.416 1.00 0.00 C ATOM 0 H ALA A 103 1.320 -14.948 -8.462 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.309 -16.291 -10.432 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.991 -16.232 -8.621 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.428 -16.862 -8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.911 -15.194 -7.661 1.00 0.00 H new ATOM 1575 N GLY A 104 -1.279 -13.291 -9.430 1.00 0.00 N ATOM 1576 CA GLY A 104 -1.997 -12.109 -9.871 1.00 0.00 C ATOM 1577 C GLY A 104 -1.755 -10.914 -8.972 1.00 0.00 C ATOM 1578 O GLY A 104 -0.623 -10.657 -8.561 1.00 0.00 O ATOM 0 H GLY A 104 -0.980 -13.272 -8.455 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -1.693 -11.862 -10.888 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -3.065 -12.327 -9.901 1.00 0.00 H new ATOM 1582 N SER A 105 -2.820 -10.180 -8.666 1.00 0.00 N ATOM 1583 CA SER A 105 -2.717 -9.001 -7.814 1.00 0.00 C ATOM 1584 C SER A 105 -3.982 -8.822 -6.979 1.00 0.00 C ATOM 1585 O SER A 105 -5.076 -9.195 -7.403 1.00 0.00 O ATOM 1586 CB SER A 105 -2.471 -7.752 -8.663 1.00 0.00 C ATOM 1587 OG SER A 105 -3.239 -7.785 -9.853 1.00 0.00 O ATOM 0 H SER A 105 -3.764 -10.381 -8.995 1.00 0.00 H new ATOM 0 HA SER A 105 -1.874 -9.144 -7.138 1.00 0.00 H new ATOM 0 HB2 SER A 105 -2.724 -6.862 -8.088 1.00 0.00 H new ATOM 0 HB3 SER A 105 -1.412 -7.680 -8.912 1.00 0.00 H new ATOM 0 HG SER A 105 -3.065 -6.975 -10.377 1.00 0.00 H new ATOM 1593 N ARG A 106 -3.822 -8.248 -5.791 1.00 0.00 N ATOM 1594 CA ARG A 106 -4.950 -8.020 -4.896 1.00 0.00 C ATOM 1595 C ARG A 106 -4.939 -6.591 -4.361 1.00 0.00 C ATOM 1596 O ARG A 106 -4.070 -6.219 -3.574 1.00 0.00 O ATOM 1597 CB ARG A 106 -4.913 -9.012 -3.732 1.00 0.00 C ATOM 1598 CG ARG A 106 -6.165 -8.988 -2.871 1.00 0.00 C ATOM 1599 CD ARG A 106 -7.279 -9.823 -3.484 1.00 0.00 C ATOM 1600 NE ARG A 106 -8.435 -9.928 -2.599 1.00 0.00 N ATOM 1601 CZ ARG A 106 -9.654 -10.250 -3.017 1.00 0.00 C ATOM 1602 NH1 ARG A 106 -9.874 -10.499 -4.301 1.00 0.00 N ATOM 1603 NH2 ARG A 106 -10.656 -10.325 -2.151 1.00 0.00 N ATOM 0 H ARG A 106 -2.923 -7.933 -5.426 1.00 0.00 H new ATOM 0 HA ARG A 106 -5.868 -8.170 -5.464 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.774 -10.018 -4.128 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -4.048 -8.793 -3.106 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -5.931 -9.366 -1.876 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -6.505 -7.959 -2.749 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.586 -9.378 -4.430 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -6.902 -10.821 -3.708 1.00 0.00 H new ATOM 0 HE ARG A 106 -8.299 -9.744 -1.605 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -9.106 -10.443 -4.970 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -10.811 -10.746 -4.619 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -10.491 -10.135 -1.162 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -11.591 -10.572 -2.474 1.00 0.00 H new ATOM 1617 N ASN A 107 -5.911 -5.795 -4.795 1.00 0.00 N ATOM 1618 CA ASN A 107 -6.013 -4.406 -4.361 1.00 0.00 C ATOM 1619 C ASN A 107 -6.727 -4.308 -3.017 1.00 0.00 C ATOM 1620 O ASN A 107 -7.835 -4.819 -2.852 1.00 0.00 O ATOM 1621 CB ASN A 107 -6.757 -3.576 -5.409 1.00 0.00 C ATOM 1622 CG ASN A 107 -6.052 -3.573 -6.752 1.00 0.00 C ATOM 1623 OD1 ASN A 107 -5.525 -4.596 -7.191 1.00 0.00 O ATOM 1624 ND2 ASN A 107 -6.039 -2.421 -7.411 1.00 0.00 N ATOM 0 H ASN A 107 -6.639 -6.088 -5.447 1.00 0.00 H new ATOM 0 HA ASN A 107 -5.003 -4.012 -4.245 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.765 -3.971 -5.532 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -6.857 -2.551 -5.052 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -5.579 -2.358 -8.319 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -6.489 -1.598 -7.009 1.00 0.00 H new ATOM 1631 N SER A 108 -6.086 -3.646 -2.059 1.00 0.00 N ATOM 1632 CA SER A 108 -6.658 -3.483 -0.728 1.00 0.00 C ATOM 1633 C SER A 108 -7.709 -2.377 -0.721 1.00 0.00 C ATOM 1634 O SER A 108 -7.959 -1.737 -1.741 1.00 0.00 O ATOM 1635 CB SER A 108 -5.559 -3.164 0.287 1.00 0.00 C ATOM 1636 OG SER A 108 -6.043 -3.275 1.615 1.00 0.00 O ATOM 0 H SER A 108 -5.170 -3.214 -2.180 1.00 0.00 H new ATOM 0 HA SER A 108 -7.139 -4.420 -0.449 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.719 -3.844 0.145 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.184 -2.155 0.116 1.00 0.00 H new ATOM 0 HG SER A 108 -5.650 -4.065 2.041 1.00 0.00 H new ATOM 1642 N GLU A 109 -8.322 -2.159 0.439 1.00 0.00 N ATOM 1643 CA GLU A 109 -9.346 -1.131 0.579 1.00 0.00 C ATOM 1644 C GLU A 109 -8.718 0.258 0.648 1.00 0.00 C ATOM 1645 O GLU A 109 -7.589 0.435 1.108 1.00 0.00 O ATOM 1646 CB GLU A 109 -10.187 -1.385 1.833 1.00 0.00 C ATOM 1647 CG GLU A 109 -9.482 -1.010 3.125 1.00 0.00 C ATOM 1648 CD GLU A 109 -10.208 -1.518 4.355 1.00 0.00 C ATOM 1649 OE1 GLU A 109 -10.827 -2.600 4.275 1.00 0.00 O ATOM 1650 OE2 GLU A 109 -10.158 -0.833 5.398 1.00 0.00 O ATOM 0 H GLU A 109 -8.127 -2.680 1.294 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.991 -1.176 -0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -11.116 -0.819 1.758 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -10.459 -2.440 1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -8.470 -1.414 3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -9.391 0.075 3.183 1.00 0.00 H new ATOM 1657 N PRO A 110 -9.465 1.269 0.181 1.00 0.00 N ATOM 1658 CA PRO A 110 -9.003 2.660 0.178 1.00 0.00 C ATOM 1659 C PRO A 110 -8.916 3.245 1.584 1.00 0.00 C ATOM 1660 O PRO A 110 -9.926 3.376 2.277 1.00 0.00 O ATOM 1661 CB PRO A 110 -10.073 3.388 -0.639 1.00 0.00 C ATOM 1662 CG PRO A 110 -11.298 2.554 -0.488 1.00 0.00 C ATOM 1663 CD PRO A 110 -10.820 1.132 -0.381 1.00 0.00 C ATOM 0 HA PRO A 110 -7.997 2.754 -0.232 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.235 4.400 -0.267 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.780 3.476 -1.685 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -11.861 2.844 0.399 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -11.963 2.679 -1.343 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -11.466 0.539 0.267 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -10.804 0.639 -1.353 1.00 0.00 H new ATOM 1671 N THR A 111 -7.703 3.596 2.000 1.00 0.00 N ATOM 1672 CA THR A 111 -7.485 4.167 3.323 1.00 0.00 C ATOM 1673 C THR A 111 -7.406 5.688 3.260 1.00 0.00 C ATOM 1674 O THR A 111 -6.412 6.248 2.797 1.00 0.00 O ATOM 1675 CB THR A 111 -6.194 3.623 3.963 1.00 0.00 C ATOM 1676 OG1 THR A 111 -6.292 2.204 4.135 1.00 0.00 O ATOM 1677 CG2 THR A 111 -5.936 4.285 5.308 1.00 0.00 C ATOM 0 H THR A 111 -6.857 3.495 1.440 1.00 0.00 H new ATOM 0 HA THR A 111 -8.337 3.876 3.937 1.00 0.00 H new ATOM 0 HB THR A 111 -5.361 3.851 3.298 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.203 1.983 5.086 1.00 0.00 H new ATOM 0 HG21 THR A 111 -5.019 3.885 5.741 1.00 0.00 H new ATOM 0 HG22 THR A 111 -5.832 5.361 5.170 1.00 0.00 H new ATOM 0 HG23 THR A 111 -6.771 4.084 5.979 1.00 0.00 H new ATOM 1685 N ARG A 112 -8.458 6.350 3.729 1.00 0.00 N ATOM 1686 CA ARG A 112 -8.507 7.807 3.725 1.00 0.00 C ATOM 1687 C ARG A 112 -7.635 8.384 4.836 1.00 0.00 C ATOM 1688 O ARG A 112 -7.825 8.075 6.013 1.00 0.00 O ATOM 1689 CB ARG A 112 -9.949 8.291 3.892 1.00 0.00 C ATOM 1690 CG ARG A 112 -10.778 8.183 2.622 1.00 0.00 C ATOM 1691 CD ARG A 112 -11.886 9.224 2.591 1.00 0.00 C ATOM 1692 NE ARG A 112 -12.953 8.917 3.540 1.00 0.00 N ATOM 1693 CZ ARG A 112 -13.779 7.885 3.407 1.00 0.00 C ATOM 1694 NH1 ARG A 112 -13.662 7.066 2.371 1.00 0.00 N ATOM 1695 NH2 ARG A 112 -14.726 7.671 4.312 1.00 0.00 N ATOM 0 H ARG A 112 -9.288 5.901 4.117 1.00 0.00 H new ATOM 0 HA ARG A 112 -8.122 8.155 2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -10.429 7.711 4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -9.939 9.330 4.222 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -10.133 8.311 1.753 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -11.212 7.186 2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -11.468 10.205 2.820 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -12.301 9.281 1.585 1.00 0.00 H new ATOM 0 HE ARG A 112 -13.070 9.528 4.348 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -12.936 7.227 1.673 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -14.298 6.275 2.272 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -14.820 8.299 5.110 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -15.360 6.878 4.209 1.00 0.00 H new ATOM 1709 N LEU A 113 -6.677 9.222 4.454 1.00 0.00 N ATOM 1710 CA LEU A 113 -5.774 9.842 5.418 1.00 0.00 C ATOM 1711 C LEU A 113 -5.782 11.360 5.273 1.00 0.00 C ATOM 1712 O LEU A 113 -6.191 11.894 4.242 1.00 0.00 O ATOM 1713 CB LEU A 113 -4.353 9.308 5.231 1.00 0.00 C ATOM 1714 CG LEU A 113 -4.182 7.794 5.363 1.00 0.00 C ATOM 1715 CD1 LEU A 113 -2.739 7.395 5.097 1.00 0.00 C ATOM 1716 CD2 LEU A 113 -4.621 7.326 6.743 1.00 0.00 C ATOM 0 H LEU A 113 -6.506 9.488 3.484 1.00 0.00 H new ATOM 0 HA LEU A 113 -6.122 9.589 6.420 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -4.000 9.609 4.244 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.705 9.792 5.962 1.00 0.00 H new ATOM 0 HG LEU A 113 -4.814 7.310 4.619 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -2.636 6.314 5.195 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -2.459 7.696 4.088 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.086 7.889 5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -4.492 6.246 6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -4.015 7.818 7.504 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -5.670 7.578 6.896 1.00 0.00 H new ATOM 1728 N LYS A 114 -5.326 12.051 6.313 1.00 0.00 N ATOM 1729 CA LYS A 114 -5.277 13.508 6.301 1.00 0.00 C ATOM 1730 C LYS A 114 -3.943 14.011 6.845 1.00 0.00 C ATOM 1731 O LYS A 114 -3.487 13.575 7.903 1.00 0.00 O ATOM 1732 CB LYS A 114 -6.427 14.084 7.130 1.00 0.00 C ATOM 1733 CG LYS A 114 -7.719 14.244 6.347 1.00 0.00 C ATOM 1734 CD LYS A 114 -8.626 15.288 6.976 1.00 0.00 C ATOM 1735 CE LYS A 114 -8.284 16.689 6.491 1.00 0.00 C ATOM 1736 NZ LYS A 114 -8.604 17.723 7.514 1.00 0.00 N ATOM 0 H LYS A 114 -4.985 11.625 7.175 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.378 13.842 5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -6.608 13.434 7.986 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -6.129 15.055 7.525 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -7.490 14.530 5.320 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -8.240 13.287 6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -9.665 15.062 6.735 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -8.534 15.245 8.061 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -7.224 16.739 6.243 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -8.836 16.901 5.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -8.357 18.664 7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -9.620 17.693 7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -8.059 17.536 8.379 1.00 0.00 H new ATOM 1750 N THR A 115 -3.322 14.933 6.116 1.00 0.00 N ATOM 1751 CA THR A 115 -2.042 15.496 6.525 1.00 0.00 C ATOM 1752 C THR A 115 -2.233 16.613 7.544 1.00 0.00 C ATOM 1753 O THR A 115 -3.357 17.027 7.822 1.00 0.00 O ATOM 1754 CB THR A 115 -1.258 16.047 5.318 1.00 0.00 C ATOM 1755 OG1 THR A 115 -2.127 16.820 4.482 1.00 0.00 O ATOM 1756 CG2 THR A 115 -0.645 14.914 4.509 1.00 0.00 C ATOM 0 H THR A 115 -3.685 15.306 5.239 1.00 0.00 H new ATOM 0 HA THR A 115 -1.472 14.686 6.980 1.00 0.00 H new ATOM 0 HB THR A 115 -0.455 16.681 5.693 1.00 0.00 H new ATOM 0 HG1 THR A 115 -2.167 16.416 3.590 1.00 0.00 H new ATOM 0 HG21 THR A 115 -0.097 15.327 3.662 1.00 0.00 H new ATOM 0 HG22 THR A 115 0.037 14.344 5.140 1.00 0.00 H new ATOM 0 HG23 THR A 115 -1.436 14.258 4.144 1.00 0.00 H new ATOM 1764 N ASN A 116 -1.126 17.098 8.099 1.00 0.00 N ATOM 1765 CA ASN A 116 -1.173 18.168 9.088 1.00 0.00 C ATOM 1766 C ASN A 116 -1.081 19.535 8.416 1.00 0.00 C ATOM 1767 O ASN A 116 -0.311 19.724 7.474 1.00 0.00 O ATOM 1768 CB ASN A 116 -0.035 18.007 10.099 1.00 0.00 C ATOM 1769 CG ASN A 116 1.308 18.420 9.528 1.00 0.00 C ATOM 1770 OD1 ASN A 116 1.487 19.558 9.094 1.00 0.00 O ATOM 1771 ND2 ASN A 116 2.260 17.494 9.526 1.00 0.00 N ATOM 0 H ASN A 116 -0.186 16.767 7.880 1.00 0.00 H new ATOM 0 HA ASN A 116 -2.127 18.103 9.611 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -0.251 18.607 10.983 1.00 0.00 H new ATOM 0 HB3 ASN A 116 0.015 16.968 10.423 1.00 0.00 H new ATOM 0 HD21 ASN A 116 3.184 17.714 9.154 1.00 0.00 H new ATOM 0 HD22 ASN A 116 2.067 16.563 9.896 1.00 0.00 H new