USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 636 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 16 ASN : amide:sc= 1.26 K(o=2.2,f=-3.9) USER MOD Set 1.2: A 76 LYS NZ :NH3+ 162:sc= 0.965 (180deg=0) USER MOD Set 2.1: A 23 MET CE :methyl -178:sc= -0.209 (180deg=-0.205) USER MOD Set 2.2: A 74 HIS : no HE2:sc= 0.602 K(o=0.39,f=-4!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 20 ASN : amide:sc= -0.852 X(o=-0.85,f=-0.89) USER MOD Single : A 22 LYS NZ :NH3+ 159:sc= 1.07 (180deg=0.757) USER MOD Single : A 25 LYS NZ :NH3+ -133:sc= 0.00661 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HE2:sc=0.000752 X(o=0.00075,f=-0.11) USER MOD Single : A 35 SER OG : rot -39:sc= 0.202 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -40:sc= 0.184 USER MOD Single : A 45 SER OG : rot -48:sc= 0.597 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc=-0.00873 (180deg=-0.00873) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 1.15 K(o=1.1,f=-0.0098) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 158:sc= -3.29! (180deg=-6.32!) USER MOD Single : A 69 ASN : amide:sc= -0.479 X(o=-0.48,f=-0.0029) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0345) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 9 11.163 7.053 7.346 1.00 0.00 N ATOM 112 CA LYS A 9 11.192 8.399 6.772 1.00 0.00 C ATOM 113 C LYS A 9 10.111 8.385 5.711 1.00 0.00 C ATOM 114 O LYS A 9 10.020 7.463 4.897 1.00 0.00 O ATOM 115 CB LYS A 9 12.597 8.771 6.291 1.00 0.00 C ATOM 116 CG LYS A 9 12.689 10.283 6.026 1.00 0.00 C ATOM 117 CD LYS A 9 14.153 10.716 5.904 1.00 0.00 C ATOM 118 CE LYS A 9 14.251 12.241 5.811 1.00 0.00 C ATOM 119 NZ LYS A 9 15.664 12.672 5.651 1.00 0.00 N ATOM 0 HA LYS A 9 10.979 9.191 7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 9 13.334 8.481 7.040 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.834 8.220 5.381 1.00 0.00 H new ATOM 0 HG2 LYS A 9 12.152 10.531 5.110 1.00 0.00 H new ATOM 0 HG3 LYS A 9 12.208 10.831 6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.717 10.361 6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 9 14.601 10.262 5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.660 12.597 4.967 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.828 12.692 6.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.706 13.709 5.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.220 12.351 6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.057 12.258 4.782 1.00 0.00 H new ATOM 133 N LEU A 10 9.239 9.372 5.812 1.00 0.00 N ATOM 134 CA LEU A 10 7.929 9.269 5.211 1.00 0.00 C ATOM 135 C LEU A 10 7.527 10.559 4.462 1.00 0.00 C ATOM 136 O LEU A 10 7.837 11.654 4.931 1.00 0.00 O ATOM 137 CB LEU A 10 7.057 8.849 6.418 1.00 0.00 C ATOM 138 CG LEU A 10 5.861 7.995 6.029 1.00 0.00 C ATOM 139 CD1 LEU A 10 6.152 6.498 5.910 1.00 0.00 C ATOM 140 CD2 LEU A 10 4.605 8.291 6.850 1.00 0.00 C ATOM 0 H LEU A 10 9.416 10.248 6.303 1.00 0.00 H new ATOM 0 HA LEU A 10 7.835 8.546 4.401 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.673 8.297 7.128 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.704 9.744 6.931 1.00 0.00 H new ATOM 0 HG LEU A 10 5.639 8.313 5.010 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.240 5.971 5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.915 6.335 5.148 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.509 6.120 6.868 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.792 7.645 6.518 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.808 8.106 7.905 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.318 9.334 6.713 1.00 0.00 H new ATOM 152 N PHE A 11 6.932 10.441 3.272 1.00 0.00 N ATOM 153 CA PHE A 11 6.661 11.527 2.315 1.00 0.00 C ATOM 154 C PHE A 11 5.168 11.896 2.348 1.00 0.00 C ATOM 155 O PHE A 11 4.312 11.025 2.151 1.00 0.00 O ATOM 156 CB PHE A 11 7.066 11.044 0.901 1.00 0.00 C ATOM 157 CG PHE A 11 6.557 11.778 -0.347 1.00 0.00 C ATOM 158 CD1 PHE A 11 6.219 13.151 -0.369 1.00 0.00 C ATOM 159 CD2 PHE A 11 6.453 11.047 -1.550 1.00 0.00 C ATOM 160 CE1 PHE A 11 5.747 13.756 -1.548 1.00 0.00 C ATOM 161 CE2 PHE A 11 6.008 11.659 -2.735 1.00 0.00 C ATOM 162 CZ PHE A 11 5.654 13.015 -2.735 1.00 0.00 C ATOM 0 H PHE A 11 6.607 9.537 2.928 1.00 0.00 H new ATOM 0 HA PHE A 11 7.236 12.414 2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 11 8.155 11.052 0.858 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.751 10.004 0.814 1.00 0.00 H new ATOM 0 HD1 PHE A 11 6.324 13.741 0.529 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.720 10.000 -1.560 1.00 0.00 H new ATOM 0 HE1 PHE A 11 5.455 14.796 -1.539 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.939 11.083 -3.646 1.00 0.00 H new ATOM 0 HZ PHE A 11 5.311 13.487 -3.644 1.00 0.00 H new ATOM 172 N ILE A 12 4.892 13.197 2.564 1.00 0.00 N ATOM 173 CA ILE A 12 3.539 13.726 2.482 1.00 0.00 C ATOM 174 C ILE A 12 3.547 14.649 1.284 1.00 0.00 C ATOM 175 O ILE A 12 4.424 15.515 1.108 1.00 0.00 O ATOM 176 CB ILE A 12 3.126 14.465 3.775 1.00 0.00 C ATOM 177 CG1 ILE A 12 2.334 13.520 4.690 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.215 15.698 3.572 1.00 0.00 C ATOM 179 CD1 ILE A 12 2.931 12.133 4.929 1.00 0.00 C ATOM 0 H ILE A 12 5.599 13.894 2.797 1.00 0.00 H new ATOM 0 HA ILE A 12 2.804 12.929 2.371 1.00 0.00 H new ATOM 0 HB ILE A 12 4.074 14.800 4.196 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.210 14.008 5.657 1.00 0.00 H new ATOM 0 HG13 ILE A 12 1.338 13.393 4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.984 16.143 4.540 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.728 16.431 2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.290 15.391 3.084 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.277 11.565 5.591 1.00 0.00 H new ATOM 0 HD12 ILE A 12 3.028 11.610 3.978 1.00 0.00 H new ATOM 0 HD13 ILE A 12 3.914 12.234 5.389 1.00 0.00 H new ATOM 191 N GLY A 13 2.528 14.413 0.472 1.00 0.00 N ATOM 192 CA GLY A 13 2.329 15.055 -0.791 1.00 0.00 C ATOM 193 C GLY A 13 1.094 15.922 -0.746 1.00 0.00 C ATOM 194 O GLY A 13 -0.023 15.451 -0.520 1.00 0.00 O ATOM 0 H GLY A 13 1.795 13.740 0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 13 3.199 15.662 -1.040 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.228 14.306 -1.576 1.00 0.00 H new ATOM 198 N GLY A 14 1.398 17.191 -0.985 1.00 0.00 N ATOM 199 CA GLY A 14 0.394 18.231 -1.106 1.00 0.00 C ATOM 200 C GLY A 14 1.025 19.568 -0.983 1.00 0.00 C ATOM 201 O GLY A 14 1.580 20.024 -1.979 1.00 0.00 O ATOM 0 H GLY A 14 2.354 17.526 -1.100 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.113 18.147 -2.067 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.365 18.106 -0.333 1.00 0.00 H new ATOM 205 N LEU A 15 0.992 20.101 0.229 1.00 0.00 N ATOM 206 CA LEU A 15 1.697 21.344 0.571 1.00 0.00 C ATOM 207 C LEU A 15 1.260 22.610 -0.099 1.00 0.00 C ATOM 208 O LEU A 15 1.165 23.629 0.573 1.00 0.00 O ATOM 209 CB LEU A 15 3.194 21.159 0.284 1.00 0.00 C ATOM 210 CG LEU A 15 3.907 20.107 1.127 1.00 0.00 C ATOM 211 CD1 LEU A 15 3.466 20.148 2.563 1.00 0.00 C ATOM 212 CD2 LEU A 15 3.560 18.718 0.623 1.00 0.00 C ATOM 0 H LEU A 15 0.478 19.690 1.008 1.00 0.00 H new ATOM 0 HA LEU A 15 1.450 21.491 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.313 20.897 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.694 22.116 0.432 1.00 0.00 H new ATOM 0 HG LEU A 15 4.973 20.320 1.051 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.998 19.383 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.686 21.129 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.394 19.962 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.073 17.972 1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.483 18.564 0.692 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.874 18.619 -0.416 1.00 0.00 H new ATOM 224 N ASN A 16 0.822 22.491 -1.334 1.00 0.00 N ATOM 225 CA ASN A 16 0.127 23.433 -2.153 1.00 0.00 C ATOM 226 C ASN A 16 0.692 24.868 -2.114 1.00 0.00 C ATOM 227 O ASN A 16 -0.005 25.838 -2.413 1.00 0.00 O ATOM 228 CB ASN A 16 -1.313 23.230 -1.718 1.00 0.00 C ATOM 229 CG ASN A 16 -2.311 24.022 -2.551 1.00 0.00 C ATOM 230 OD1 ASN A 16 -2.282 23.991 -3.774 1.00 0.00 O ATOM 231 ND2 ASN A 16 -3.268 24.686 -1.962 1.00 0.00 N ATOM 0 H ASN A 16 0.969 21.618 -1.840 1.00 0.00 H new ATOM 0 HA ASN A 16 0.243 23.267 -3.224 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.558 22.170 -1.781 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -1.413 23.519 -0.672 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -3.974 25.167 -2.520 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.310 24.724 -0.944 1.00 0.00 H new ATOM 238 N ARG A 17 1.975 24.982 -1.731 1.00 0.00 N ATOM 239 CA ARG A 17 2.666 26.221 -1.358 1.00 0.00 C ATOM 240 C ARG A 17 1.781 27.088 -0.443 1.00 0.00 C ATOM 241 O ARG A 17 1.638 28.299 -0.609 1.00 0.00 O ATOM 242 CB ARG A 17 3.251 26.864 -2.627 1.00 0.00 C ATOM 243 CG ARG A 17 4.320 25.932 -3.247 1.00 0.00 C ATOM 244 CD ARG A 17 3.987 25.216 -4.569 1.00 0.00 C ATOM 245 NE ARG A 17 2.824 24.310 -4.598 1.00 0.00 N ATOM 246 CZ ARG A 17 1.707 24.515 -5.272 1.00 0.00 C ATOM 247 NH1 ARG A 17 1.328 25.688 -5.691 1.00 0.00 N ATOM 248 NH2 ARG A 17 0.950 23.497 -5.546 1.00 0.00 N ATOM 0 H ARG A 17 2.587 24.168 -1.671 1.00 0.00 H new ATOM 0 HA ARG A 17 3.535 26.043 -0.724 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.456 27.051 -3.349 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.695 27.829 -2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.223 26.522 -3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 17 4.564 25.169 -2.508 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.833 25.980 -5.331 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.864 24.641 -4.866 1.00 0.00 H new ATOM 0 HE ARG A 17 2.888 23.452 -4.051 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.905 26.508 -5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.454 25.787 -6.208 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.222 22.562 -5.242 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.083 23.632 -6.065 1.00 0.00 H new ATOM 262 N GLU A 18 1.169 26.396 0.523 1.00 0.00 N ATOM 263 CA GLU A 18 0.101 26.816 1.415 1.00 0.00 C ATOM 264 C GLU A 18 0.393 26.382 2.862 1.00 0.00 C ATOM 265 O GLU A 18 0.469 27.244 3.740 1.00 0.00 O ATOM 266 CB GLU A 18 -1.164 26.104 0.913 1.00 0.00 C ATOM 267 CG GLU A 18 -2.350 26.251 1.860 1.00 0.00 C ATOM 268 CD GLU A 18 -3.598 25.656 1.214 1.00 0.00 C ATOM 269 OE1 GLU A 18 -3.491 24.498 0.751 1.00 0.00 O ATOM 270 OE2 GLU A 18 -4.645 26.345 1.134 1.00 0.00 O ATOM 0 H GLU A 18 1.442 25.432 0.713 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.005 27.901 1.415 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.435 26.504 -0.064 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.947 25.045 0.774 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.140 25.746 2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.515 27.303 2.092 1.00 0.00 H new ATOM 277 N THR A 19 0.574 25.071 3.114 1.00 0.00 N ATOM 278 CA THR A 19 0.788 24.564 4.494 1.00 0.00 C ATOM 279 C THR A 19 2.179 23.940 4.723 1.00 0.00 C ATOM 280 O THR A 19 2.949 23.787 3.772 1.00 0.00 O ATOM 281 CB THR A 19 -0.377 23.667 4.920 1.00 0.00 C ATOM 282 OG1 THR A 19 -0.435 23.599 6.329 1.00 0.00 O ATOM 283 CG2 THR A 19 -0.238 22.251 4.390 1.00 0.00 C ATOM 0 H THR A 19 0.577 24.348 2.394 1.00 0.00 H new ATOM 0 HA THR A 19 0.792 25.426 5.161 1.00 0.00 H new ATOM 0 HB THR A 19 -1.284 24.108 4.506 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.183 23.026 6.598 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.089 21.654 4.719 1.00 0.00 H new ATOM 0 HG22 THR A 19 -0.209 22.271 3.301 1.00 0.00 H new ATOM 0 HG23 THR A 19 0.684 21.809 4.769 1.00 0.00 H new ATOM 291 N ASN A 20 2.515 23.600 5.981 1.00 0.00 N ATOM 292 CA ASN A 20 3.913 23.268 6.351 1.00 0.00 C ATOM 293 C ASN A 20 4.023 22.410 7.625 1.00 0.00 C ATOM 294 O ASN A 20 3.145 21.591 7.855 1.00 0.00 O ATOM 295 CB ASN A 20 4.776 24.559 6.483 1.00 0.00 C ATOM 296 CG ASN A 20 4.903 25.434 5.246 1.00 0.00 C ATOM 297 OD1 ASN A 20 5.710 25.185 4.362 1.00 0.00 O ATOM 298 ND2 ASN A 20 4.162 26.519 5.172 1.00 0.00 N ATOM 0 H ASN A 20 1.851 23.547 6.753 1.00 0.00 H new ATOM 0 HA ASN A 20 4.303 22.659 5.536 1.00 0.00 H new ATOM 0 HB2 ASN A 20 4.357 25.166 7.286 1.00 0.00 H new ATOM 0 HB3 ASN A 20 5.778 24.266 6.795 1.00 0.00 H new ATOM 0 HD21 ASN A 20 4.261 27.151 4.378 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.488 26.728 5.909 1.00 0.00 H new ATOM 305 N GLU A 21 5.063 22.580 8.467 1.00 0.00 N ATOM 306 CA GLU A 21 5.287 21.717 9.660 1.00 0.00 C ATOM 307 C GLU A 21 4.100 21.518 10.624 1.00 0.00 C ATOM 308 O GLU A 21 4.084 20.618 11.472 1.00 0.00 O ATOM 309 CB GLU A 21 6.512 22.210 10.438 1.00 0.00 C ATOM 310 CG GLU A 21 6.272 23.347 11.438 1.00 0.00 C ATOM 311 CD GLU A 21 5.662 24.622 10.819 1.00 0.00 C ATOM 312 OE1 GLU A 21 6.191 25.119 9.796 1.00 0.00 O ATOM 313 OE2 GLU A 21 4.645 25.126 11.359 1.00 0.00 O ATOM 0 H GLU A 21 5.767 23.308 8.347 1.00 0.00 H new ATOM 0 HA GLU A 21 5.442 20.726 9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.937 21.364 10.978 1.00 0.00 H new ATOM 0 HB3 GLU A 21 7.263 22.539 9.720 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.610 22.988 12.226 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.220 23.605 11.911 1.00 0.00 H new ATOM 320 N LYS A 22 3.149 22.422 10.405 1.00 0.00 N ATOM 321 CA LYS A 22 1.954 22.462 11.230 1.00 0.00 C ATOM 322 C LYS A 22 1.185 21.196 10.913 1.00 0.00 C ATOM 323 O LYS A 22 0.991 20.287 11.730 1.00 0.00 O ATOM 324 CB LYS A 22 1.231 23.746 10.794 1.00 0.00 C ATOM 325 CG LYS A 22 0.062 24.080 11.715 1.00 0.00 C ATOM 326 CD LYS A 22 0.288 25.447 12.351 1.00 0.00 C ATOM 327 CE LYS A 22 1.367 25.223 13.398 1.00 0.00 C ATOM 328 NZ LYS A 22 2.635 25.960 13.130 1.00 0.00 N ATOM 0 H LYS A 22 3.185 23.128 9.670 1.00 0.00 H new ATOM 0 HA LYS A 22 2.112 22.490 12.308 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.937 24.576 10.788 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.867 23.629 9.773 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.871 24.080 11.151 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.034 23.319 12.489 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.605 26.180 11.609 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.628 25.827 12.804 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.982 25.525 14.372 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.584 24.157 13.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.174 26.057 14.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.202 25.434 12.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.415 26.904 12.754 1.00 0.00 H new ATOM 342 N MET A 23 0.931 21.162 9.598 1.00 0.00 N ATOM 343 CA MET A 23 0.425 19.991 8.954 1.00 0.00 C ATOM 344 C MET A 23 1.364 18.806 9.260 1.00 0.00 C ATOM 345 O MET A 23 0.856 17.722 9.456 1.00 0.00 O ATOM 346 CB MET A 23 0.294 20.309 7.439 1.00 0.00 C ATOM 347 CG MET A 23 1.236 19.424 6.629 1.00 0.00 C ATOM 348 SD MET A 23 1.181 19.248 4.843 1.00 0.00 S ATOM 349 CE MET A 23 -0.508 18.667 4.659 1.00 0.00 C ATOM 0 H MET A 23 1.077 21.954 8.972 1.00 0.00 H new ATOM 0 HA MET A 23 -0.561 19.704 9.320 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.734 20.150 7.115 1.00 0.00 H new ATOM 0 HB3 MET A 23 0.526 21.359 7.259 1.00 0.00 H new ATOM 0 HG2 MET A 23 2.245 19.759 6.868 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.129 18.418 7.035 1.00 0.00 H new ATOM 0 HE1 MET A 23 -0.712 18.468 3.607 1.00 0.00 H new ATOM 0 HE2 MET A 23 -0.642 17.751 5.234 1.00 0.00 H new ATOM 0 HE3 MET A 23 -1.197 19.429 5.024 1.00 0.00 H new ATOM 359 N LEU A 24 2.698 18.927 9.159 1.00 0.00 N ATOM 360 CA LEU A 24 3.567 17.752 9.316 1.00 0.00 C ATOM 361 C LEU A 24 3.330 17.030 10.649 1.00 0.00 C ATOM 362 O LEU A 24 2.805 15.918 10.664 1.00 0.00 O ATOM 363 CB LEU A 24 5.056 18.033 9.077 1.00 0.00 C ATOM 364 CG LEU A 24 5.502 18.046 7.609 1.00 0.00 C ATOM 365 CD1 LEU A 24 5.309 19.389 6.952 1.00 0.00 C ATOM 366 CD2 LEU A 24 6.975 17.699 7.484 1.00 0.00 C ATOM 0 H LEU A 24 3.187 19.803 8.974 1.00 0.00 H new ATOM 0 HA LEU A 24 3.270 17.075 8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.301 18.998 9.521 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.639 17.281 9.608 1.00 0.00 H new ATOM 0 HG LEU A 24 4.877 17.305 7.112 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.642 19.338 5.915 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.254 19.660 6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 24 5.892 20.141 7.484 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.265 17.715 6.433 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.569 18.428 8.036 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.150 16.704 7.893 1.00 0.00 H new ATOM 378 N LYS A 25 3.666 17.650 11.786 1.00 0.00 N ATOM 379 CA LYS A 25 3.430 17.037 13.094 1.00 0.00 C ATOM 380 C LYS A 25 1.983 16.641 13.296 1.00 0.00 C ATOM 381 O LYS A 25 1.754 15.579 13.871 1.00 0.00 O ATOM 382 CB LYS A 25 3.882 17.953 14.216 1.00 0.00 C ATOM 383 CG LYS A 25 5.421 18.098 14.181 1.00 0.00 C ATOM 384 CD LYS A 25 6.110 17.689 15.487 1.00 0.00 C ATOM 385 CE LYS A 25 6.246 16.162 15.632 1.00 0.00 C ATOM 386 NZ LYS A 25 6.774 15.775 16.970 1.00 0.00 N ATOM 0 H LYS A 25 4.100 18.572 11.825 1.00 0.00 H new ATOM 0 HA LYS A 25 4.026 16.125 13.119 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.412 18.931 14.112 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.567 17.549 15.178 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.816 17.490 13.367 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.674 19.134 13.956 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.100 18.144 15.529 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.543 18.081 16.331 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.274 15.695 15.477 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.910 15.782 14.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.535 15.076 16.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.148 16.617 17.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.008 15.362 17.539 1.00 0.00 H new ATOM 400 N ALA A 26 1.035 17.423 12.774 1.00 0.00 N ATOM 401 CA ALA A 26 -0.355 17.012 12.735 1.00 0.00 C ATOM 402 C ALA A 26 -0.533 15.619 12.052 1.00 0.00 C ATOM 403 O ALA A 26 -0.663 14.557 12.681 1.00 0.00 O ATOM 404 CB ALA A 26 -1.126 18.146 12.012 1.00 0.00 C ATOM 0 H ALA A 26 1.213 18.344 12.374 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.753 16.871 13.740 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.183 17.888 11.954 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.010 19.077 12.567 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.728 18.272 11.005 1.00 0.00 H new ATOM 410 N VAL A 27 -0.435 15.679 10.725 1.00 0.00 N ATOM 411 CA VAL A 27 -0.752 14.554 9.840 1.00 0.00 C ATOM 412 C VAL A 27 -0.017 13.291 10.208 1.00 0.00 C ATOM 413 O VAL A 27 -0.593 12.228 10.358 1.00 0.00 O ATOM 414 CB VAL A 27 -0.335 14.964 8.407 1.00 0.00 C ATOM 415 CG1 VAL A 27 -0.158 13.870 7.363 1.00 0.00 C ATOM 416 CG2 VAL A 27 -1.308 15.965 7.861 1.00 0.00 C ATOM 0 H VAL A 27 -0.131 16.516 10.227 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.818 14.341 9.925 1.00 0.00 H new ATOM 0 HB VAL A 27 0.669 15.359 8.562 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.134 14.317 6.413 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.616 13.176 7.691 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.098 13.332 7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.009 16.250 6.852 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.305 15.526 7.834 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.318 16.848 8.499 1.00 0.00 H new ATOM 426 N PHE A 28 1.292 13.387 10.263 1.00 0.00 N ATOM 427 CA PHE A 28 2.151 12.311 10.692 1.00 0.00 C ATOM 428 C PHE A 28 1.993 11.879 12.144 1.00 0.00 C ATOM 429 O PHE A 28 1.922 10.681 12.430 1.00 0.00 O ATOM 430 CB PHE A 28 3.565 12.725 10.348 1.00 0.00 C ATOM 431 CG PHE A 28 3.928 12.939 8.884 1.00 0.00 C ATOM 432 CD1 PHE A 28 3.638 14.152 8.231 1.00 0.00 C ATOM 433 CD2 PHE A 28 4.739 12.006 8.223 1.00 0.00 C ATOM 434 CE1 PHE A 28 4.307 14.514 7.053 1.00 0.00 C ATOM 435 CE2 PHE A 28 5.389 12.357 7.030 1.00 0.00 C ATOM 436 CZ PHE A 28 5.235 13.638 6.481 1.00 0.00 C ATOM 0 H PHE A 28 1.798 14.234 10.005 1.00 0.00 H new ATOM 0 HA PHE A 28 1.861 11.403 10.163 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.777 13.652 10.880 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.238 11.967 10.748 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.890 14.813 8.643 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.864 11.015 8.633 1.00 0.00 H new ATOM 0 HE1 PHE A 28 4.106 15.468 6.588 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.015 11.633 6.529 1.00 0.00 H new ATOM 0 HZ PHE A 28 5.824 13.944 5.629 1.00 0.00 H new ATOM 446 N GLY A 29 1.979 12.824 13.088 1.00 0.00 N ATOM 447 CA GLY A 29 1.681 12.481 14.478 1.00 0.00 C ATOM 448 C GLY A 29 0.361 11.760 14.696 1.00 0.00 C ATOM 449 O GLY A 29 0.169 11.176 15.765 1.00 0.00 O ATOM 0 H GLY A 29 2.167 13.812 12.919 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.487 11.855 14.862 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.679 13.397 15.069 1.00 0.00 H new ATOM 453 N LYS A 30 -0.529 11.777 13.693 1.00 0.00 N ATOM 454 CA LYS A 30 -1.789 10.997 13.746 1.00 0.00 C ATOM 455 C LYS A 30 -1.697 9.537 14.176 1.00 0.00 C ATOM 456 O LYS A 30 -2.706 8.952 14.575 1.00 0.00 O ATOM 457 CB LYS A 30 -2.469 10.993 12.393 1.00 0.00 C ATOM 458 CG LYS A 30 -3.113 12.370 12.183 1.00 0.00 C ATOM 459 CD LYS A 30 -4.461 12.446 12.906 1.00 0.00 C ATOM 460 CE LYS A 30 -5.462 11.494 12.257 1.00 0.00 C ATOM 461 NZ LYS A 30 -6.872 11.885 12.518 1.00 0.00 N ATOM 0 H LYS A 30 -0.407 12.317 12.836 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.344 11.520 14.525 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.746 10.786 11.604 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.224 10.208 12.348 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.449 13.150 12.556 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.254 12.554 11.118 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.333 12.189 13.957 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.843 13.466 12.872 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.289 11.468 11.181 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.293 10.484 12.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.511 11.207 12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.048 11.884 13.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.044 12.838 12.138 1.00 0.00 H new ATOM 475 N HIS A 31 -0.507 8.965 14.071 1.00 0.00 N ATOM 476 CA HIS A 31 -0.255 7.629 14.597 1.00 0.00 C ATOM 477 C HIS A 31 1.179 7.348 15.103 1.00 0.00 C ATOM 478 O HIS A 31 1.485 6.179 15.357 1.00 0.00 O ATOM 479 CB HIS A 31 -0.721 6.564 13.580 1.00 0.00 C ATOM 480 CG HIS A 31 -1.483 5.429 14.226 1.00 0.00 C ATOM 481 ND1 HIS A 31 -1.273 4.913 15.488 1.00 0.00 N ATOM 482 CD2 HIS A 31 -2.546 4.753 13.694 1.00 0.00 C ATOM 483 CE1 HIS A 31 -2.197 3.965 15.716 1.00 0.00 C ATOM 484 NE2 HIS A 31 -3.003 3.832 14.649 1.00 0.00 N ATOM 0 H HIS A 31 0.300 9.403 13.627 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.851 7.569 15.508 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.353 7.038 12.829 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.148 6.162 13.059 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -0.541 5.202 16.137 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -2.962 4.902 12.709 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.280 3.391 16.627 1.00 0.00 H new ATOM 492 N GLY A 32 2.077 8.336 15.266 1.00 0.00 N ATOM 493 CA GLY A 32 3.455 8.063 15.646 1.00 0.00 C ATOM 494 C GLY A 32 4.146 9.187 16.427 1.00 0.00 C ATOM 495 O GLY A 32 3.551 10.238 16.681 1.00 0.00 O ATOM 0 H GLY A 32 1.864 9.325 15.138 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.477 7.155 16.249 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.032 7.860 14.744 1.00 0.00 H new ATOM 499 N PRO A 33 5.410 8.948 16.813 1.00 0.00 N ATOM 500 CA PRO A 33 6.217 9.837 17.638 1.00 0.00 C ATOM 501 C PRO A 33 6.752 11.087 16.906 1.00 0.00 C ATOM 502 O PRO A 33 6.340 12.202 17.233 1.00 0.00 O ATOM 503 CB PRO A 33 7.358 8.943 18.156 1.00 0.00 C ATOM 504 CG PRO A 33 7.494 7.837 17.102 1.00 0.00 C ATOM 505 CD PRO A 33 6.054 7.662 16.646 1.00 0.00 C ATOM 0 HA PRO A 33 5.612 10.269 18.435 1.00 0.00 H new ATOM 0 HB2 PRO A 33 8.285 9.506 18.262 1.00 0.00 H new ATOM 0 HB3 PRO A 33 7.123 8.529 19.137 1.00 0.00 H new ATOM 0 HG2 PRO A 33 8.149 8.132 16.282 1.00 0.00 H new ATOM 0 HG3 PRO A 33 7.904 6.919 17.523 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.013 7.340 15.605 1.00 0.00 H new ATOM 0 HD3 PRO A 33 5.551 6.897 17.236 1.00 0.00 H new ATOM 513 N ILE A 34 7.704 10.897 15.970 1.00 0.00 N ATOM 514 CA ILE A 34 8.214 11.988 15.112 1.00 0.00 C ATOM 515 C ILE A 34 9.426 12.708 15.735 1.00 0.00 C ATOM 516 O ILE A 34 9.255 13.481 16.680 1.00 0.00 O ATOM 517 CB ILE A 34 7.176 12.902 14.412 1.00 0.00 C ATOM 518 CG1 ILE A 34 6.257 12.167 13.431 1.00 0.00 C ATOM 519 CG2 ILE A 34 7.980 13.943 13.615 1.00 0.00 C ATOM 520 CD1 ILE A 34 5.103 11.484 14.145 1.00 0.00 C ATOM 0 H ILE A 34 8.138 9.992 15.788 1.00 0.00 H new ATOM 0 HA ILE A 34 8.590 11.463 14.234 1.00 0.00 H new ATOM 0 HB ILE A 34 6.532 13.329 15.181 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.865 12.874 12.700 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.834 11.425 12.879 1.00 0.00 H new ATOM 0 HG21 ILE A 34 7.294 14.616 13.100 1.00 0.00 H new ATOM 0 HG22 ILE A 34 8.608 14.517 14.296 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.608 13.435 12.883 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.474 10.974 13.415 1.00 0.00 H new ATOM 0 HD12 ILE A 34 5.495 10.758 14.857 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.511 12.230 14.676 1.00 0.00 H new ATOM 532 N SER A 35 10.639 12.446 15.231 1.00 0.00 N ATOM 533 CA SER A 35 11.889 13.058 15.705 1.00 0.00 C ATOM 534 C SER A 35 12.631 13.859 14.622 1.00 0.00 C ATOM 535 O SER A 35 13.681 14.436 14.917 1.00 0.00 O ATOM 536 CB SER A 35 12.779 11.979 16.335 1.00 0.00 C ATOM 537 OG SER A 35 13.815 12.535 17.130 1.00 0.00 O ATOM 0 H SER A 35 10.783 11.788 14.465 1.00 0.00 H new ATOM 0 HA SER A 35 11.627 13.796 16.464 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.167 11.319 16.949 1.00 0.00 H new ATOM 0 HB3 SER A 35 13.217 11.366 15.547 1.00 0.00 H new ATOM 0 HG SER A 35 14.162 13.343 16.697 1.00 0.00 H new ATOM 543 N GLU A 36 12.114 13.960 13.387 1.00 0.00 N ATOM 544 CA GLU A 36 12.652 14.922 12.399 1.00 0.00 C ATOM 545 C GLU A 36 11.577 15.435 11.427 1.00 0.00 C ATOM 546 O GLU A 36 10.703 14.670 11.034 1.00 0.00 O ATOM 547 CB GLU A 36 13.864 14.334 11.642 1.00 0.00 C ATOM 548 CG GLU A 36 15.097 15.249 11.633 1.00 0.00 C ATOM 549 CD GLU A 36 14.855 16.581 10.901 1.00 0.00 C ATOM 550 OE1 GLU A 36 14.355 17.534 11.545 1.00 0.00 O ATOM 551 OE2 GLU A 36 15.159 16.675 9.688 1.00 0.00 O ATOM 0 H GLU A 36 11.334 13.397 13.047 1.00 0.00 H new ATOM 0 HA GLU A 36 12.998 15.788 12.964 1.00 0.00 H new ATOM 0 HB2 GLU A 36 14.135 13.380 12.095 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.571 14.126 10.613 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.397 15.455 12.661 1.00 0.00 H new ATOM 0 HG3 GLU A 36 15.927 14.726 11.158 1.00 0.00 H new ATOM 558 N VAL A 37 11.645 16.715 11.037 1.00 0.00 N ATOM 559 CA VAL A 37 10.600 17.456 10.299 1.00 0.00 C ATOM 560 C VAL A 37 11.220 18.273 9.149 1.00 0.00 C ATOM 561 O VAL A 37 12.048 19.158 9.376 1.00 0.00 O ATOM 562 CB VAL A 37 9.820 18.377 11.264 1.00 0.00 C ATOM 563 CG1 VAL A 37 8.628 19.030 10.568 1.00 0.00 C ATOM 564 CG2 VAL A 37 9.231 17.649 12.483 1.00 0.00 C ATOM 0 H VAL A 37 12.463 17.292 11.233 1.00 0.00 H new ATOM 0 HA VAL A 37 9.905 16.737 9.865 1.00 0.00 H new ATOM 0 HB VAL A 37 10.565 19.103 11.589 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.101 19.671 11.274 1.00 0.00 H new ATOM 0 HG12 VAL A 37 8.980 19.628 9.728 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.951 18.257 10.204 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.699 18.363 13.111 1.00 0.00 H new ATOM 0 HG22 VAL A 37 8.540 16.877 12.146 1.00 0.00 H new ATOM 0 HG23 VAL A 37 10.036 17.190 13.057 1.00 0.00 H new ATOM 574 N LEU A 38 10.822 17.967 7.909 1.00 0.00 N ATOM 575 CA LEU A 38 11.451 18.412 6.656 1.00 0.00 C ATOM 576 C LEU A 38 10.466 18.900 5.574 1.00 0.00 C ATOM 577 O LEU A 38 9.451 18.263 5.307 1.00 0.00 O ATOM 578 CB LEU A 38 12.285 17.240 6.141 1.00 0.00 C ATOM 579 CG LEU A 38 13.122 17.497 4.889 1.00 0.00 C ATOM 580 CD1 LEU A 38 14.160 18.601 5.004 1.00 0.00 C ATOM 581 CD2 LEU A 38 13.940 16.242 4.659 1.00 0.00 C ATOM 0 H LEU A 38 10.011 17.372 7.742 1.00 0.00 H new ATOM 0 HA LEU A 38 12.058 19.291 6.874 1.00 0.00 H new ATOM 0 HB2 LEU A 38 12.955 16.921 6.940 1.00 0.00 H new ATOM 0 HB3 LEU A 38 11.613 16.407 5.937 1.00 0.00 H new ATOM 0 HG LEU A 38 12.414 17.780 4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 38 14.695 18.697 4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 38 13.665 19.543 5.238 1.00 0.00 H new ATOM 0 HD13 LEU A 38 14.866 18.355 5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 38 14.561 16.370 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 38 14.577 16.059 5.524 1.00 0.00 H new ATOM 0 HD23 LEU A 38 13.271 15.393 4.515 1.00 0.00 H new ATOM 593 N LEU A 39 10.789 20.020 4.926 1.00 0.00 N ATOM 594 CA LEU A 39 10.078 20.570 3.758 1.00 0.00 C ATOM 595 C LEU A 39 11.091 20.706 2.604 1.00 0.00 C ATOM 596 O LEU A 39 12.206 21.182 2.834 1.00 0.00 O ATOM 597 CB LEU A 39 9.448 21.949 4.076 1.00 0.00 C ATOM 598 CG LEU A 39 8.143 22.025 4.895 1.00 0.00 C ATOM 599 CD1 LEU A 39 7.008 21.229 4.254 1.00 0.00 C ATOM 600 CD2 LEU A 39 8.296 21.596 6.354 1.00 0.00 C ATOM 0 H LEU A 39 11.583 20.595 5.207 1.00 0.00 H new ATOM 0 HA LEU A 39 9.265 19.899 3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 39 10.199 22.535 4.606 1.00 0.00 H new ATOM 0 HB3 LEU A 39 9.265 22.450 3.125 1.00 0.00 H new ATOM 0 HG LEU A 39 7.890 23.085 4.890 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.112 21.314 4.868 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.804 21.623 3.258 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.297 20.181 4.177 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.334 21.678 6.860 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.640 20.563 6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.023 22.241 6.849 1.00 0.00 H new ATOM 612 N ILE A 40 10.718 20.293 1.387 1.00 0.00 N ATOM 613 CA ILE A 40 11.681 20.168 0.281 1.00 0.00 C ATOM 614 C ILE A 40 11.379 21.159 -0.840 1.00 0.00 C ATOM 615 O ILE A 40 10.207 21.306 -1.219 1.00 0.00 O ATOM 616 CB ILE A 40 11.684 18.750 -0.301 1.00 0.00 C ATOM 617 CG1 ILE A 40 11.883 17.645 0.740 1.00 0.00 C ATOM 618 CG2 ILE A 40 12.746 18.608 -1.412 1.00 0.00 C ATOM 619 CD1 ILE A 40 13.249 17.608 1.427 1.00 0.00 C ATOM 0 H ILE A 40 9.761 20.040 1.141 1.00 0.00 H new ATOM 0 HA ILE A 40 12.663 20.389 0.700 1.00 0.00 H new ATOM 0 HB ILE A 40 10.686 18.614 -0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 40 11.116 17.753 1.507 1.00 0.00 H new ATOM 0 HG13 ILE A 40 11.716 16.683 0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 40 12.726 17.592 -1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.530 19.314 -2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 40 13.733 18.818 -1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 40 13.274 16.786 2.142 1.00 0.00 H new ATOM 0 HD12 ILE A 40 14.029 17.462 0.679 1.00 0.00 H new ATOM 0 HD13 ILE A 40 13.419 18.549 1.950 1.00 0.00 H new ATOM 631 N LYS A 41 12.488 21.777 -1.303 1.00 0.00 N ATOM 632 CA LYS A 41 12.448 22.920 -2.232 1.00 0.00 C ATOM 633 C LYS A 41 13.233 22.611 -3.536 1.00 0.00 C ATOM 634 O LYS A 41 12.939 21.629 -4.222 1.00 0.00 O ATOM 635 CB LYS A 41 12.926 24.184 -1.461 1.00 0.00 C ATOM 636 CG LYS A 41 12.255 24.386 -0.086 1.00 0.00 C ATOM 637 CD LYS A 41 12.660 25.708 0.573 1.00 0.00 C ATOM 638 CE LYS A 41 11.994 25.802 1.953 1.00 0.00 C ATOM 639 NZ LYS A 41 12.313 27.091 2.624 1.00 0.00 N ATOM 0 H LYS A 41 13.433 21.495 -1.042 1.00 0.00 H new ATOM 0 HA LYS A 41 11.433 23.116 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 41 14.005 24.121 -1.319 1.00 0.00 H new ATOM 0 HB3 LYS A 41 12.736 25.063 -2.077 1.00 0.00 H new ATOM 0 HG2 LYS A 41 11.172 24.360 -0.206 1.00 0.00 H new ATOM 0 HG3 LYS A 41 12.523 23.559 0.571 1.00 0.00 H new ATOM 0 HD2 LYS A 41 13.744 25.762 0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.355 26.549 -0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.914 25.704 1.845 1.00 0.00 H new ATOM 0 HE3 LYS A 41 12.328 24.973 2.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.848 27.123 3.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.342 27.172 2.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.972 27.881 2.039 1.00 0.00 H new ATOM 653 N ASP A 42 14.172 23.497 -3.867 1.00 0.00 N ATOM 654 CA ASP A 42 14.977 23.703 -5.094 1.00 0.00 C ATOM 655 C ASP A 42 15.933 24.873 -4.781 1.00 0.00 C ATOM 656 O ASP A 42 15.508 25.782 -4.070 1.00 0.00 O ATOM 657 CB ASP A 42 14.105 24.072 -6.309 1.00 0.00 C ATOM 658 CG ASP A 42 12.887 25.013 -6.109 1.00 0.00 C ATOM 659 OD1 ASP A 42 12.332 25.108 -4.991 1.00 0.00 O ATOM 660 OD2 ASP A 42 12.497 25.701 -7.082 1.00 0.00 O ATOM 0 H ASP A 42 14.432 24.201 -3.177 1.00 0.00 H new ATOM 0 HA ASP A 42 15.501 22.783 -5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 42 14.756 24.532 -7.053 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.734 23.143 -6.741 1.00 0.00 H new ATOM 665 N ARG A 43 17.206 24.907 -5.222 1.00 0.00 N ATOM 666 CA ARG A 43 18.237 25.923 -4.811 1.00 0.00 C ATOM 667 C ARG A 43 18.401 26.115 -3.296 1.00 0.00 C ATOM 668 O ARG A 43 19.021 27.086 -2.903 1.00 0.00 O ATOM 669 CB ARG A 43 17.939 27.271 -5.527 1.00 0.00 C ATOM 670 CG ARG A 43 18.791 28.559 -5.314 1.00 0.00 C ATOM 671 CD ARG A 43 18.073 29.783 -4.669 1.00 0.00 C ATOM 672 NE ARG A 43 18.275 29.764 -3.212 1.00 0.00 N ATOM 673 CZ ARG A 43 17.877 30.641 -2.317 1.00 0.00 C ATOM 674 NH1 ARG A 43 17.012 31.579 -2.560 1.00 0.00 N ATOM 675 NH2 ARG A 43 18.350 30.618 -1.115 1.00 0.00 N ATOM 0 H ARG A 43 17.569 24.223 -5.886 1.00 0.00 H new ATOM 0 HA ARG A 43 19.202 25.526 -5.128 1.00 0.00 H new ATOM 0 HB2 ARG A 43 17.958 27.062 -6.597 1.00 0.00 H new ATOM 0 HB3 ARG A 43 16.913 27.535 -5.272 1.00 0.00 H new ATOM 0 HG2 ARG A 43 19.646 28.300 -4.690 1.00 0.00 H new ATOM 0 HG3 ARG A 43 19.185 28.869 -6.282 1.00 0.00 H new ATOM 0 HD2 ARG A 43 18.465 30.710 -5.088 1.00 0.00 H new ATOM 0 HD3 ARG A 43 17.008 29.755 -4.899 1.00 0.00 H new ATOM 0 HE ARG A 43 18.793 28.964 -2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 43 16.601 31.665 -3.489 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.744 32.229 -1.821 1.00 0.00 H new ATOM 0 HH21 ARG A 43 19.040 29.914 -0.852 1.00 0.00 H new ATOM 0 HH22 ARG A 43 18.034 31.304 -0.429 1.00 0.00 H new ATOM 689 N THR A 44 17.766 25.289 -2.456 1.00 0.00 N ATOM 690 CA THR A 44 17.673 25.600 -1.012 1.00 0.00 C ATOM 691 C THR A 44 16.725 26.782 -0.722 1.00 0.00 C ATOM 692 O THR A 44 16.542 27.110 0.448 1.00 0.00 O ATOM 693 CB THR A 44 19.005 25.542 -0.225 1.00 0.00 C ATOM 694 OG1 THR A 44 18.733 25.274 1.136 1.00 0.00 O ATOM 695 CG2 THR A 44 19.890 26.784 -0.294 1.00 0.00 C ATOM 0 H THR A 44 17.316 24.417 -2.736 1.00 0.00 H new ATOM 0 HA THR A 44 17.167 24.750 -0.554 1.00 0.00 H new ATOM 0 HB THR A 44 19.571 24.750 -0.715 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.941 25.779 1.417 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.792 26.621 0.296 1.00 0.00 H new ATOM 0 HG22 THR A 44 20.165 26.978 -1.331 1.00 0.00 H new ATOM 0 HG23 THR A 44 19.346 27.641 0.104 1.00 0.00 H new ATOM 703 N SER A 45 16.141 27.325 -1.819 1.00 0.00 N ATOM 704 CA SER A 45 14.936 28.179 -1.771 1.00 0.00 C ATOM 705 C SER A 45 14.552 28.964 -3.066 1.00 0.00 C ATOM 706 O SER A 45 14.054 30.091 -2.997 1.00 0.00 O ATOM 707 CB SER A 45 14.634 28.917 -0.448 1.00 0.00 C ATOM 708 OG SER A 45 13.351 29.517 -0.415 1.00 0.00 O ATOM 0 H SER A 45 16.497 27.180 -2.764 1.00 0.00 H new ATOM 0 HA SER A 45 14.194 27.381 -1.761 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.718 28.212 0.379 1.00 0.00 H new ATOM 0 HB3 SER A 45 15.390 29.686 -0.290 1.00 0.00 H new ATOM 0 HG SER A 45 13.207 30.027 -1.239 1.00 0.00 H new ATOM 714 N LYS A 46 14.791 28.406 -4.272 1.00 0.00 N ATOM 715 CA LYS A 46 14.066 28.843 -5.509 1.00 0.00 C ATOM 716 C LYS A 46 12.526 28.799 -5.185 1.00 0.00 C ATOM 717 O LYS A 46 11.810 29.734 -5.546 1.00 0.00 O ATOM 718 CB LYS A 46 14.429 27.976 -6.729 1.00 0.00 C ATOM 719 CG LYS A 46 15.576 28.446 -7.659 1.00 0.00 C ATOM 720 CD LYS A 46 16.010 27.252 -8.540 1.00 0.00 C ATOM 721 CE LYS A 46 17.069 27.479 -9.644 1.00 0.00 C ATOM 722 NZ LYS A 46 18.489 27.425 -9.206 1.00 0.00 N ATOM 0 H LYS A 46 15.470 27.660 -4.426 1.00 0.00 H new ATOM 0 HA LYS A 46 14.363 29.855 -5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 46 14.686 26.982 -6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 46 13.531 27.870 -7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 46 15.243 29.276 -8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.418 28.808 -7.069 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.388 26.474 -7.877 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.115 26.855 -9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.921 26.730 -10.422 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.887 28.452 -10.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.111 27.590 -10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 18.659 28.158 -8.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 18.692 26.489 -8.800 1.00 0.00 H new ATOM 736 N SER A 47 12.112 27.767 -4.403 1.00 0.00 N ATOM 737 CA SER A 47 10.806 27.747 -3.702 1.00 0.00 C ATOM 738 C SER A 47 9.640 26.975 -4.348 1.00 0.00 C ATOM 739 O SER A 47 8.845 27.517 -5.119 1.00 0.00 O ATOM 740 CB SER A 47 10.369 29.101 -3.124 1.00 0.00 C ATOM 741 OG SER A 47 9.488 28.879 -2.033 1.00 0.00 O ATOM 0 H SER A 47 12.673 26.931 -4.243 1.00 0.00 H new ATOM 0 HA SER A 47 11.068 27.105 -2.861 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.240 29.668 -2.795 1.00 0.00 H new ATOM 0 HB3 SER A 47 9.874 29.695 -3.892 1.00 0.00 H new ATOM 0 HG SER A 47 9.207 29.740 -1.659 1.00 0.00 H new ATOM 747 N ARG A 48 9.559 25.684 -3.967 1.00 0.00 N ATOM 748 CA ARG A 48 8.551 24.632 -4.131 1.00 0.00 C ATOM 749 C ARG A 48 8.518 23.884 -2.772 1.00 0.00 C ATOM 750 O ARG A 48 9.339 24.157 -1.898 1.00 0.00 O ATOM 751 CB ARG A 48 8.924 23.847 -5.408 1.00 0.00 C ATOM 752 CG ARG A 48 8.533 22.370 -5.569 1.00 0.00 C ATOM 753 CD ARG A 48 9.534 21.396 -4.942 1.00 0.00 C ATOM 754 NE ARG A 48 9.322 20.032 -5.471 1.00 0.00 N ATOM 755 CZ ARG A 48 10.256 19.164 -5.815 1.00 0.00 C ATOM 756 NH1 ARG A 48 11.513 19.335 -5.526 1.00 0.00 N ATOM 757 NH2 ARG A 48 9.941 18.085 -6.458 1.00 0.00 N ATOM 0 H ARG A 48 10.345 25.298 -3.445 1.00 0.00 H new ATOM 0 HA ARG A 48 7.522 24.941 -4.314 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.493 24.386 -6.252 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.007 23.904 -5.513 1.00 0.00 H new ATOM 0 HG2 ARG A 48 7.554 22.211 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.435 22.143 -6.631 1.00 0.00 H new ATOM 0 HD2 ARG A 48 10.552 21.722 -5.156 1.00 0.00 H new ATOM 0 HD3 ARG A 48 9.421 21.395 -3.858 1.00 0.00 H new ATOM 0 HE ARG A 48 8.354 19.730 -5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 48 11.810 20.166 -5.014 1.00 0.00 H new ATOM 0 HH12 ARG A 48 12.201 18.638 -5.811 1.00 0.00 H new ATOM 0 HH21 ARG A 48 8.967 17.902 -6.701 1.00 0.00 H new ATOM 0 HH22 ARG A 48 10.666 17.418 -6.721 1.00 0.00 H new ATOM 771 N GLY A 49 7.480 23.093 -2.522 1.00 0.00 N ATOM 772 CA GLY A 49 7.141 22.515 -1.206 1.00 0.00 C ATOM 773 C GLY A 49 6.684 21.053 -1.185 1.00 0.00 C ATOM 774 O GLY A 49 5.597 20.770 -1.680 1.00 0.00 O ATOM 0 H GLY A 49 6.821 22.821 -3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.015 22.606 -0.561 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.352 23.123 -0.762 1.00 0.00 H new ATOM 778 N PHE A 50 7.488 20.118 -0.673 1.00 0.00 N ATOM 779 CA PHE A 50 7.000 18.743 -0.339 1.00 0.00 C ATOM 780 C PHE A 50 7.523 18.183 0.982 1.00 0.00 C ATOM 781 O PHE A 50 8.620 18.547 1.388 1.00 0.00 O ATOM 782 CB PHE A 50 6.982 17.823 -1.517 1.00 0.00 C ATOM 783 CG PHE A 50 8.261 17.202 -1.864 1.00 0.00 C ATOM 784 CD1 PHE A 50 9.143 17.923 -2.667 1.00 0.00 C ATOM 785 CD2 PHE A 50 8.518 15.896 -1.444 1.00 0.00 C ATOM 786 CE1 PHE A 50 10.321 17.312 -3.071 1.00 0.00 C ATOM 787 CE2 PHE A 50 9.690 15.278 -1.875 1.00 0.00 C ATOM 788 CZ PHE A 50 10.582 15.986 -2.695 1.00 0.00 C ATOM 0 H PHE A 50 8.477 20.269 -0.475 1.00 0.00 H new ATOM 0 HA PHE A 50 5.941 18.845 -0.103 1.00 0.00 H new ATOM 0 HB2 PHE A 50 6.257 17.032 -1.325 1.00 0.00 H new ATOM 0 HB3 PHE A 50 6.624 18.380 -2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 50 8.914 18.935 -2.968 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.824 15.376 -0.800 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.035 17.855 -3.673 1.00 0.00 H new ATOM 0 HE2 PHE A 50 9.910 14.263 -1.580 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.483 15.503 -3.042 1.00 0.00 H new ATOM 798 N ALA A 51 6.754 17.369 1.707 1.00 0.00 N ATOM 799 CA ALA A 51 7.051 17.065 3.106 1.00 0.00 C ATOM 800 C ALA A 51 7.636 15.698 3.397 1.00 0.00 C ATOM 801 O ALA A 51 7.219 14.682 2.860 1.00 0.00 O ATOM 802 CB ALA A 51 5.793 17.352 3.906 1.00 0.00 C ATOM 0 H ALA A 51 5.919 16.908 1.346 1.00 0.00 H new ATOM 0 HA ALA A 51 7.875 17.710 3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.974 17.137 4.959 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.521 18.401 3.792 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.979 16.724 3.542 1.00 0.00 H new ATOM 808 N PHE A 52 8.650 15.727 4.251 1.00 0.00 N ATOM 809 CA PHE A 52 9.340 14.588 4.813 1.00 0.00 C ATOM 810 C PHE A 52 9.245 14.600 6.348 1.00 0.00 C ATOM 811 O PHE A 52 9.467 15.637 6.972 1.00 0.00 O ATOM 812 CB PHE A 52 10.757 14.574 4.328 1.00 0.00 C ATOM 813 CG PHE A 52 10.905 13.839 3.021 1.00 0.00 C ATOM 814 CD1 PHE A 52 10.589 12.480 2.846 1.00 0.00 C ATOM 815 CD2 PHE A 52 11.283 14.608 1.934 1.00 0.00 C ATOM 816 CE1 PHE A 52 10.636 11.924 1.552 1.00 0.00 C ATOM 817 CE2 PHE A 52 11.359 14.051 0.649 1.00 0.00 C ATOM 818 CZ PHE A 52 11.034 12.703 0.454 1.00 0.00 C ATOM 0 H PHE A 52 9.034 16.610 4.588 1.00 0.00 H new ATOM 0 HA PHE A 52 8.863 13.667 4.479 1.00 0.00 H new ATOM 0 HB2 PHE A 52 11.108 15.599 4.208 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.392 14.106 5.080 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.314 11.870 3.693 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.523 15.651 2.077 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.363 10.890 1.404 1.00 0.00 H new ATOM 0 HE2 PHE A 52 11.667 14.660 -0.188 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.089 12.266 -0.532 1.00 0.00 H new ATOM 828 N ILE A 53 8.953 13.469 6.985 1.00 0.00 N ATOM 829 CA ILE A 53 9.060 13.327 8.448 1.00 0.00 C ATOM 830 C ILE A 53 9.794 12.034 8.780 1.00 0.00 C ATOM 831 O ILE A 53 9.534 10.997 8.165 1.00 0.00 O ATOM 832 CB ILE A 53 7.705 13.493 9.182 1.00 0.00 C ATOM 833 CG1 ILE A 53 7.661 14.744 10.074 1.00 0.00 C ATOM 834 CG2 ILE A 53 7.334 12.268 10.032 1.00 0.00 C ATOM 835 CD1 ILE A 53 6.256 15.094 10.574 1.00 0.00 C ATOM 0 H ILE A 53 8.636 12.624 6.510 1.00 0.00 H new ATOM 0 HA ILE A 53 9.656 14.154 8.834 1.00 0.00 H new ATOM 0 HB ILE A 53 6.973 13.603 8.382 1.00 0.00 H new ATOM 0 HG12 ILE A 53 8.315 14.591 10.932 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.060 15.591 9.517 1.00 0.00 H new ATOM 0 HG21 ILE A 53 6.376 12.442 10.522 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.260 11.389 9.391 1.00 0.00 H new ATOM 0 HG23 ILE A 53 8.103 12.102 10.787 1.00 0.00 H new ATOM 0 HD11 ILE A 53 6.303 15.987 11.197 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.602 15.280 9.722 1.00 0.00 H new ATOM 0 HD13 ILE A 53 5.861 14.264 11.160 1.00 0.00 H new ATOM 847 N THR A 54 10.725 12.107 9.727 1.00 0.00 N ATOM 848 CA THR A 54 11.415 10.930 10.254 1.00 0.00 C ATOM 849 C THR A 54 10.854 10.606 11.638 1.00 0.00 C ATOM 850 O THR A 54 10.769 11.468 12.526 1.00 0.00 O ATOM 851 CB THR A 54 12.936 11.121 10.331 1.00 0.00 C ATOM 852 OG1 THR A 54 13.443 11.682 9.138 1.00 0.00 O ATOM 853 CG2 THR A 54 13.668 9.794 10.532 1.00 0.00 C ATOM 0 H THR A 54 11.024 12.985 10.152 1.00 0.00 H new ATOM 0 HA THR A 54 11.240 10.102 9.567 1.00 0.00 H new ATOM 0 HB THR A 54 13.106 11.783 11.180 1.00 0.00 H new ATOM 0 HG1 THR A 54 14.413 11.794 9.216 1.00 0.00 H new ATOM 0 HG21 THR A 54 14.742 9.975 10.581 1.00 0.00 H new ATOM 0 HG22 THR A 54 13.335 9.332 11.461 1.00 0.00 H new ATOM 0 HG23 THR A 54 13.450 9.128 9.697 1.00 0.00 H new ATOM 861 N PHE A 55 10.495 9.333 11.800 1.00 0.00 N ATOM 862 CA PHE A 55 9.859 8.717 12.955 1.00 0.00 C ATOM 863 C PHE A 55 10.891 7.892 13.730 1.00 0.00 C ATOM 864 O PHE A 55 11.654 7.127 13.138 1.00 0.00 O ATOM 865 CB PHE A 55 8.778 7.735 12.473 1.00 0.00 C ATOM 866 CG PHE A 55 7.523 8.339 11.887 1.00 0.00 C ATOM 867 CD1 PHE A 55 7.407 8.588 10.506 1.00 0.00 C ATOM 868 CD2 PHE A 55 6.421 8.573 12.727 1.00 0.00 C ATOM 869 CE1 PHE A 55 6.211 9.107 9.995 1.00 0.00 C ATOM 870 CE2 PHE A 55 5.213 9.053 12.200 1.00 0.00 C ATOM 871 CZ PHE A 55 5.111 9.337 10.833 1.00 0.00 C ATOM 0 H PHE A 55 10.658 8.650 11.060 1.00 0.00 H new ATOM 0 HA PHE A 55 9.434 9.502 13.581 1.00 0.00 H new ATOM 0 HB2 PHE A 55 9.223 7.081 11.723 1.00 0.00 H new ATOM 0 HB3 PHE A 55 8.491 7.105 13.315 1.00 0.00 H new ATOM 0 HD1 PHE A 55 8.235 8.380 9.845 1.00 0.00 H new ATOM 0 HD2 PHE A 55 6.505 8.382 13.787 1.00 0.00 H new ATOM 0 HE1 PHE A 55 6.135 9.333 8.942 1.00 0.00 H new ATOM 0 HE2 PHE A 55 4.362 9.203 12.848 1.00 0.00 H new ATOM 0 HZ PHE A 55 4.191 9.731 10.427 1.00 0.00 H new ATOM 881 N GLU A 56 10.882 8.029 15.061 1.00 0.00 N ATOM 882 CA GLU A 56 11.668 7.154 15.949 1.00 0.00 C ATOM 883 C GLU A 56 11.611 5.639 15.623 1.00 0.00 C ATOM 884 O GLU A 56 12.603 4.946 15.860 1.00 0.00 O ATOM 885 CB GLU A 56 11.270 7.412 17.413 1.00 0.00 C ATOM 886 CG GLU A 56 11.440 8.881 17.829 1.00 0.00 C ATOM 887 CD GLU A 56 11.419 9.026 19.366 1.00 0.00 C ATOM 888 OE1 GLU A 56 10.325 9.187 19.957 1.00 0.00 O ATOM 889 OE2 GLU A 56 12.504 8.975 19.998 1.00 0.00 O ATOM 0 H GLU A 56 10.338 8.739 15.551 1.00 0.00 H new ATOM 0 HA GLU A 56 12.709 7.425 15.775 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.231 7.116 17.559 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.876 6.783 18.065 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.381 9.267 17.436 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.642 9.481 17.392 1.00 0.00 H new ATOM 896 N ASN A 57 10.513 5.129 15.030 1.00 0.00 N ATOM 897 CA ASN A 57 10.487 3.765 14.466 1.00 0.00 C ATOM 898 C ASN A 57 9.808 3.738 13.078 1.00 0.00 C ATOM 899 O ASN A 57 8.833 4.461 12.846 1.00 0.00 O ATOM 900 CB ASN A 57 9.767 2.778 15.405 1.00 0.00 C ATOM 901 CG ASN A 57 10.108 2.913 16.880 1.00 0.00 C ATOM 902 OD1 ASN A 57 11.156 2.489 17.347 1.00 0.00 O ATOM 903 ND2 ASN A 57 9.219 3.473 17.667 1.00 0.00 N ATOM 0 H ASN A 57 9.636 5.639 14.930 1.00 0.00 H new ATOM 0 HA ASN A 57 11.526 3.454 14.357 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.691 2.908 15.285 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.003 1.763 15.087 1.00 0.00 H new ATOM 0 HD21 ASN A 57 9.402 3.554 18.667 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.345 3.827 17.278 1.00 0.00 H new ATOM 910 N PRO A 58 10.244 2.841 12.174 1.00 0.00 N ATOM 911 CA PRO A 58 9.653 2.657 10.842 1.00 0.00 C ATOM 912 C PRO A 58 8.234 2.095 10.911 1.00 0.00 C ATOM 913 O PRO A 58 7.377 2.459 10.105 1.00 0.00 O ATOM 914 CB PRO A 58 10.604 1.709 10.111 1.00 0.00 C ATOM 915 CG PRO A 58 11.212 0.891 11.251 1.00 0.00 C ATOM 916 CD PRO A 58 11.317 1.888 12.392 1.00 0.00 C ATOM 0 HA PRO A 58 9.548 3.608 10.320 1.00 0.00 H new ATOM 0 HB2 PRO A 58 10.075 1.077 9.397 1.00 0.00 H new ATOM 0 HB3 PRO A 58 11.366 2.252 9.552 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.581 0.043 11.517 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.188 0.489 10.979 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.212 1.392 13.357 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.288 2.383 12.392 1.00 0.00 H new ATOM 924 N ALA A 59 7.994 1.269 11.933 1.00 0.00 N ATOM 925 CA ALA A 59 6.652 0.852 12.303 1.00 0.00 C ATOM 926 C ALA A 59 5.672 2.017 12.281 1.00 0.00 C ATOM 927 O ALA A 59 4.676 2.017 11.568 1.00 0.00 O ATOM 928 CB ALA A 59 6.743 0.342 13.752 1.00 0.00 C ATOM 0 H ALA A 59 8.728 0.875 12.522 1.00 0.00 H new ATOM 0 HA ALA A 59 6.298 0.098 11.600 1.00 0.00 H new ATOM 0 HB1 ALA A 59 5.758 0.014 14.085 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.440 -0.495 13.800 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.095 1.145 14.399 1.00 0.00 H new ATOM 934 N ASP A 60 5.984 2.985 13.133 1.00 0.00 N ATOM 935 CA ASP A 60 5.169 4.158 13.301 1.00 0.00 C ATOM 936 C ASP A 60 4.996 5.009 12.038 1.00 0.00 C ATOM 937 O ASP A 60 3.925 5.569 11.814 1.00 0.00 O ATOM 938 CB ASP A 60 5.708 4.928 14.482 1.00 0.00 C ATOM 939 CG ASP A 60 5.735 4.141 15.801 1.00 0.00 C ATOM 940 OD1 ASP A 60 4.703 3.535 16.175 1.00 0.00 O ATOM 941 OD2 ASP A 60 6.789 4.160 16.474 1.00 0.00 O ATOM 0 H ASP A 60 6.815 2.969 13.724 1.00 0.00 H new ATOM 0 HA ASP A 60 4.145 3.843 13.501 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.720 5.259 14.251 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.103 5.824 14.621 1.00 0.00 H new ATOM 946 N ALA A 61 6.043 5.093 11.211 1.00 0.00 N ATOM 947 CA ALA A 61 5.927 5.684 9.877 1.00 0.00 C ATOM 948 C ALA A 61 4.828 5.000 9.059 1.00 0.00 C ATOM 949 O ALA A 61 3.909 5.642 8.557 1.00 0.00 O ATOM 950 CB ALA A 61 7.305 5.632 9.201 1.00 0.00 C ATOM 0 H ALA A 61 6.979 4.759 11.443 1.00 0.00 H new ATOM 0 HA ALA A 61 5.622 6.728 9.951 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.238 6.069 8.205 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.024 6.195 9.796 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.632 4.595 9.122 1.00 0.00 H new ATOM 956 N LYS A 62 4.939 3.680 8.926 1.00 0.00 N ATOM 957 CA LYS A 62 3.946 2.834 8.231 1.00 0.00 C ATOM 958 C LYS A 62 2.538 2.990 8.801 1.00 0.00 C ATOM 959 O LYS A 62 1.557 3.096 8.076 1.00 0.00 O ATOM 960 CB LYS A 62 4.435 1.381 8.159 1.00 0.00 C ATOM 961 CG LYS A 62 3.540 0.518 7.250 1.00 0.00 C ATOM 962 CD LYS A 62 4.239 -0.765 6.779 1.00 0.00 C ATOM 963 CE LYS A 62 4.749 -1.634 7.936 1.00 0.00 C ATOM 964 NZ LYS A 62 5.398 -2.868 7.426 1.00 0.00 N ATOM 0 H LYS A 62 5.728 3.152 9.299 1.00 0.00 H new ATOM 0 HA LYS A 62 3.858 3.185 7.203 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.459 1.361 7.785 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.453 0.954 9.162 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.629 0.255 7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.239 1.103 6.381 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.545 -1.348 6.174 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.078 -0.499 6.136 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.460 -1.066 8.537 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.919 -1.899 8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.735 -3.440 8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.711 -3.418 6.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.204 -2.612 6.821 1.00 0.00 H new ATOM 978 N ASN A 63 2.466 2.993 10.123 1.00 0.00 N ATOM 979 CA ASN A 63 1.235 3.264 10.846 1.00 0.00 C ATOM 980 C ASN A 63 0.587 4.600 10.467 1.00 0.00 C ATOM 981 O ASN A 63 -0.535 4.614 9.971 1.00 0.00 O ATOM 982 CB ASN A 63 1.629 3.203 12.322 1.00 0.00 C ATOM 983 CG ASN A 63 0.553 2.718 13.266 1.00 0.00 C ATOM 984 OD1 ASN A 63 -0.560 2.388 12.888 1.00 0.00 O ATOM 985 ND2 ASN A 63 0.905 2.560 14.519 1.00 0.00 N ATOM 0 H ASN A 63 3.266 2.806 10.728 1.00 0.00 H new ATOM 0 HA ASN A 63 0.464 2.535 10.597 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.496 2.550 12.421 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.942 4.198 12.637 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.247 2.159 15.187 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.837 2.839 14.826 1.00 0.00 H new ATOM 992 N ALA A 64 1.307 5.711 10.671 1.00 0.00 N ATOM 993 CA ALA A 64 0.848 7.028 10.240 1.00 0.00 C ATOM 994 C ALA A 64 0.515 7.081 8.737 1.00 0.00 C ATOM 995 O ALA A 64 -0.476 7.699 8.353 1.00 0.00 O ATOM 996 CB ALA A 64 1.867 8.062 10.728 1.00 0.00 C ATOM 0 H ALA A 64 2.215 5.718 11.135 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.112 7.270 10.695 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.550 9.058 10.420 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.934 8.022 11.815 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.844 7.842 10.296 1.00 0.00 H new ATOM 1002 N ALA A 65 1.283 6.386 7.889 1.00 0.00 N ATOM 1003 CA ALA A 65 0.912 6.182 6.488 1.00 0.00 C ATOM 1004 C ALA A 65 -0.470 5.549 6.309 1.00 0.00 C ATOM 1005 O ALA A 65 -1.346 6.155 5.703 1.00 0.00 O ATOM 1006 CB ALA A 65 2.008 5.392 5.751 1.00 0.00 C ATOM 0 H ALA A 65 2.169 5.955 8.153 1.00 0.00 H new ATOM 0 HA ALA A 65 0.833 7.170 6.035 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.716 5.249 4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.946 5.946 5.792 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.139 4.421 6.228 1.00 0.00 H new ATOM 1012 N LYS A 66 -0.637 4.329 6.823 1.00 0.00 N ATOM 1013 CA LYS A 66 -1.833 3.475 6.752 1.00 0.00 C ATOM 1014 C LYS A 66 -3.065 4.182 7.294 1.00 0.00 C ATOM 1015 O LYS A 66 -4.143 4.102 6.713 1.00 0.00 O ATOM 1016 CB LYS A 66 -1.545 2.143 7.469 1.00 0.00 C ATOM 1017 CG LYS A 66 -2.681 1.117 7.328 1.00 0.00 C ATOM 1018 CD LYS A 66 -2.333 -0.181 8.069 1.00 0.00 C ATOM 1019 CE LYS A 66 -3.481 -1.192 7.954 1.00 0.00 C ATOM 1020 NZ LYS A 66 -3.196 -2.434 8.723 1.00 0.00 N ATOM 0 H LYS A 66 0.115 3.874 7.340 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.060 3.259 5.708 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.626 1.714 7.069 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.371 2.338 8.527 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -3.606 1.533 7.728 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.857 0.904 6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.421 -0.610 7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.135 0.035 9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.403 -0.740 8.320 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.643 -1.442 6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.993 -3.095 8.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.330 -2.878 8.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -3.066 -2.198 9.728 1.00 0.00 H new ATOM 1034 N ASP A 67 -2.866 4.896 8.397 1.00 0.00 N ATOM 1035 CA ASP A 67 -3.870 5.815 8.925 1.00 0.00 C ATOM 1036 C ASP A 67 -4.325 6.854 7.894 1.00 0.00 C ATOM 1037 O ASP A 67 -5.501 6.979 7.550 1.00 0.00 O ATOM 1038 CB ASP A 67 -3.221 6.560 10.099 1.00 0.00 C ATOM 1039 CG ASP A 67 -4.282 7.168 11.027 1.00 0.00 C ATOM 1040 OD1 ASP A 67 -4.888 6.414 11.823 1.00 0.00 O ATOM 1041 OD2 ASP A 67 -4.542 8.388 10.930 1.00 0.00 O ATOM 0 H ASP A 67 -2.009 4.855 8.948 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.748 5.239 9.216 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.590 5.874 10.664 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -2.572 7.349 9.718 1.00 0.00 H new ATOM 1046 N MET A 68 -3.326 7.633 7.496 1.00 0.00 N ATOM 1047 CA MET A 68 -3.537 8.851 6.688 1.00 0.00 C ATOM 1048 C MET A 68 -3.992 8.618 5.250 1.00 0.00 C ATOM 1049 O MET A 68 -5.174 8.769 4.953 1.00 0.00 O ATOM 1050 CB MET A 68 -2.328 9.767 6.762 1.00 0.00 C ATOM 1051 CG MET A 68 -2.161 10.454 8.123 1.00 0.00 C ATOM 1052 SD MET A 68 -3.181 11.943 8.381 1.00 0.00 S ATOM 1053 CE MET A 68 -4.814 11.284 8.780 1.00 0.00 C ATOM 0 H MET A 68 -2.348 7.448 7.718 1.00 0.00 H new ATOM 0 HA MET A 68 -4.390 9.349 7.149 1.00 0.00 H new ATOM 0 HB2 MET A 68 -1.430 9.188 6.544 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.412 10.529 5.987 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.397 9.733 8.906 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.113 10.727 8.247 1.00 0.00 H new ATOM 0 HE1 MET A 68 -5.388 12.036 9.321 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.336 11.023 7.859 1.00 0.00 H new ATOM 0 HE3 MET A 68 -4.706 10.395 9.401 1.00 0.00 H new ATOM 1063 N ASN A 69 -3.002 8.304 4.396 1.00 0.00 N ATOM 1064 CA ASN A 69 -3.233 7.775 3.039 1.00 0.00 C ATOM 1065 C ASN A 69 -4.195 8.461 2.032 1.00 0.00 C ATOM 1066 O ASN A 69 -4.281 8.010 0.887 1.00 0.00 O ATOM 1067 CB ASN A 69 -3.512 6.271 3.213 1.00 0.00 C ATOM 1068 CG ASN A 69 -4.976 5.932 3.428 1.00 0.00 C ATOM 1069 OD1 ASN A 69 -5.740 5.692 2.505 1.00 0.00 O ATOM 1070 ND2 ASN A 69 -5.403 5.924 4.665 1.00 0.00 N ATOM 0 H ASN A 69 -2.014 8.410 4.628 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.322 8.024 2.495 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.154 5.742 2.330 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.936 5.902 4.062 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.381 5.716 4.866 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.758 6.126 5.429 1.00 0.00 H new ATOM 1077 N GLY A 70 -4.843 9.561 2.400 1.00 0.00 N ATOM 1078 CA GLY A 70 -5.902 10.230 1.629 1.00 0.00 C ATOM 1079 C GLY A 70 -6.937 10.987 2.462 1.00 0.00 C ATOM 1080 O GLY A 70 -8.107 11.077 2.079 1.00 0.00 O ATOM 0 H GLY A 70 -4.641 10.036 3.280 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.437 10.929 0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.420 9.482 1.029 1.00 0.00 H new ATOM 1084 N LYS A 71 -6.487 11.533 3.598 1.00 0.00 N ATOM 1085 CA LYS A 71 -7.294 12.481 4.369 1.00 0.00 C ATOM 1086 C LYS A 71 -7.124 13.868 3.727 1.00 0.00 C ATOM 1087 O LYS A 71 -6.481 14.002 2.680 1.00 0.00 O ATOM 1088 CB LYS A 71 -6.755 12.375 5.805 1.00 0.00 C ATOM 1089 CG LYS A 71 -7.447 13.189 6.921 1.00 0.00 C ATOM 1090 CD LYS A 71 -8.969 12.984 7.044 1.00 0.00 C ATOM 1091 CE LYS A 71 -9.339 11.522 7.337 1.00 0.00 C ATOM 1092 NZ LYS A 71 -10.803 11.358 7.547 1.00 0.00 N ATOM 0 H LYS A 71 -5.571 11.334 4.001 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.366 12.284 4.380 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.788 11.324 6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.705 12.667 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.985 12.932 7.874 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.253 14.248 6.748 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.356 13.621 7.840 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -9.452 13.300 6.119 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.017 10.892 6.508 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.803 11.181 8.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.016 10.359 7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.105 11.941 8.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.312 11.660 6.692 1.00 0.00 H new ATOM 1106 N SER A 72 -7.672 14.917 4.330 1.00 0.00 N ATOM 1107 CA SER A 72 -7.567 16.260 3.776 1.00 0.00 C ATOM 1108 C SER A 72 -7.775 17.307 4.853 1.00 0.00 C ATOM 1109 O SER A 72 -8.760 17.288 5.596 1.00 0.00 O ATOM 1110 CB SER A 72 -8.572 16.416 2.638 1.00 0.00 C ATOM 1111 OG SER A 72 -8.384 17.673 2.005 1.00 0.00 O ATOM 0 H SER A 72 -8.194 14.862 5.204 1.00 0.00 H new ATOM 0 HA SER A 72 -6.564 16.410 3.377 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.445 15.611 1.915 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.588 16.340 3.024 1.00 0.00 H new ATOM 0 HG SER A 72 -9.029 17.771 1.274 1.00 0.00 H new ATOM 1117 N LEU A 73 -6.775 18.179 4.957 1.00 0.00 N ATOM 1118 CA LEU A 73 -6.616 19.125 6.063 1.00 0.00 C ATOM 1119 C LEU A 73 -5.966 20.468 5.666 1.00 0.00 C ATOM 1120 O LEU A 73 -5.679 21.303 6.526 1.00 0.00 O ATOM 1121 CB LEU A 73 -5.972 18.367 7.247 1.00 0.00 C ATOM 1122 CG LEU A 73 -4.531 17.812 7.181 1.00 0.00 C ATOM 1123 CD1 LEU A 73 -4.080 17.042 5.937 1.00 0.00 C ATOM 1124 CD2 LEU A 73 -3.505 18.917 7.432 1.00 0.00 C ATOM 0 H LEU A 73 -6.034 18.251 4.259 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.592 19.482 6.393 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.011 19.036 8.107 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.624 17.522 7.470 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.574 17.059 7.968 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.044 16.726 6.060 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -4.713 16.165 5.803 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.161 17.686 5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -2.500 18.499 7.380 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -3.615 19.694 6.675 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.668 19.347 8.420 1.00 0.00 H new ATOM 1136 N HIS A 74 -5.797 20.700 4.356 1.00 0.00 N ATOM 1137 CA HIS A 74 -5.431 21.996 3.760 1.00 0.00 C ATOM 1138 C HIS A 74 -6.243 22.289 2.470 1.00 0.00 C ATOM 1139 O HIS A 74 -5.775 22.971 1.564 1.00 0.00 O ATOM 1140 CB HIS A 74 -3.899 22.137 3.608 1.00 0.00 C ATOM 1141 CG HIS A 74 -3.231 21.344 2.521 1.00 0.00 C ATOM 1142 ND1 HIS A 74 -2.673 21.893 1.395 1.00 0.00 N ATOM 1143 CD2 HIS A 74 -2.846 20.036 2.570 1.00 0.00 C ATOM 1144 CE1 HIS A 74 -1.933 20.954 0.791 1.00 0.00 C ATOM 1145 NE2 HIS A 74 -2.015 19.791 1.465 1.00 0.00 N ATOM 0 H HIS A 74 -5.915 19.966 3.657 1.00 0.00 H new ATOM 0 HA HIS A 74 -5.720 22.787 4.452 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -3.674 23.190 3.442 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -3.440 21.859 4.557 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -2.800 22.852 1.073 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -3.130 19.317 3.324 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -1.354 21.108 -0.108 1.00 0.00 H new ATOM 1153 N GLY A 75 -7.473 21.760 2.354 1.00 0.00 N ATOM 1154 CA GLY A 75 -8.337 22.043 1.190 1.00 0.00 C ATOM 1155 C GLY A 75 -7.828 21.505 -0.162 1.00 0.00 C ATOM 1156 O GLY A 75 -8.109 22.107 -1.202 1.00 0.00 O ATOM 0 H GLY A 75 -7.891 21.138 3.046 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.324 21.621 1.381 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.463 23.123 1.107 1.00 0.00 H new ATOM 1160 N LYS A 76 -7.084 20.387 -0.134 1.00 0.00 N ATOM 1161 CA LYS A 76 -6.515 19.770 -1.362 1.00 0.00 C ATOM 1162 C LYS A 76 -6.302 18.256 -1.231 1.00 0.00 C ATOM 1163 O LYS A 76 -6.448 17.560 -2.237 1.00 0.00 O ATOM 1164 CB LYS A 76 -5.146 20.402 -1.714 1.00 0.00 C ATOM 1165 CG LYS A 76 -5.162 21.712 -2.518 1.00 0.00 C ATOM 1166 CD LYS A 76 -5.918 21.605 -3.856 1.00 0.00 C ATOM 1167 CE LYS A 76 -5.828 22.886 -4.698 1.00 0.00 C ATOM 1168 NZ LYS A 76 -4.500 23.062 -5.345 1.00 0.00 N ATOM 0 H LYS A 76 -6.857 19.885 0.724 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.249 19.958 -2.146 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -4.609 20.584 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -4.570 19.668 -2.277 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -5.620 22.494 -1.913 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.135 22.021 -2.714 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -5.515 20.770 -4.429 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.966 21.379 -3.658 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -6.601 22.865 -5.466 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -6.034 23.747 -4.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -4.581 23.748 -6.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.816 23.412 -4.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -4.174 22.149 -5.722 1.00 0.00 H new ATOM 1182 N ALA A 77 -5.951 17.825 -0.010 1.00 0.00 N ATOM 1183 CA ALA A 77 -5.780 16.399 0.335 1.00 0.00 C ATOM 1184 C ALA A 77 -4.306 15.970 0.348 1.00 0.00 C ATOM 1185 O ALA A 77 -3.450 16.589 -0.289 1.00 0.00 O ATOM 1186 CB ALA A 77 -6.695 15.414 -0.415 1.00 0.00 C ATOM 0 H ALA A 77 -5.776 18.456 0.772 1.00 0.00 H new ATOM 0 HA ALA A 77 -6.140 16.332 1.362 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.484 14.397 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.737 15.655 -0.206 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.512 15.492 -1.487 1.00 0.00 H new ATOM 1192 N ILE A 78 -4.049 14.898 1.099 1.00 0.00 N ATOM 1193 CA ILE A 78 -2.685 14.419 1.354 1.00 0.00 C ATOM 1194 C ILE A 78 -2.497 13.019 0.799 1.00 0.00 C ATOM 1195 O ILE A 78 -3.340 12.134 0.946 1.00 0.00 O ATOM 1196 CB ILE A 78 -2.268 14.476 2.832 1.00 0.00 C ATOM 1197 CG1 ILE A 78 -3.199 13.612 3.684 1.00 0.00 C ATOM 1198 CG2 ILE A 78 -2.207 15.945 3.270 1.00 0.00 C ATOM 1199 CD1 ILE A 78 -2.707 13.479 5.111 1.00 0.00 C ATOM 0 H ILE A 78 -4.775 14.338 1.547 1.00 0.00 H new ATOM 0 HA ILE A 78 -2.024 15.111 0.831 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.273 14.055 2.973 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.198 14.048 3.685 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.284 12.622 3.237 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.912 16.000 4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.478 16.477 2.659 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.188 16.403 3.145 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.400 12.857 5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -1.719 13.018 5.114 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.648 14.466 5.569 1.00 0.00 H new ATOM 1211 N LYS A 79 -1.366 12.840 0.142 1.00 0.00 N ATOM 1212 CA LYS A 79 -0.899 11.505 -0.245 1.00 0.00 C ATOM 1213 C LYS A 79 0.242 11.120 0.682 1.00 0.00 C ATOM 1214 O LYS A 79 1.147 11.927 0.886 1.00 0.00 O ATOM 1215 CB LYS A 79 -0.501 11.572 -1.724 1.00 0.00 C ATOM 1216 CG LYS A 79 0.393 10.470 -2.313 1.00 0.00 C ATOM 1217 CD LYS A 79 1.886 10.727 -2.119 1.00 0.00 C ATOM 1218 CE LYS A 79 2.662 9.881 -3.123 1.00 0.00 C ATOM 1219 NZ LYS A 79 2.669 10.488 -4.483 1.00 0.00 N ATOM 0 H LYS A 79 -0.746 13.600 -0.139 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.662 10.733 -0.145 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -1.420 11.596 -2.310 1.00 0.00 H new ATOM 0 HB3 LYS A 79 0.004 12.524 -1.884 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.134 9.517 -1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.184 10.375 -3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.109 11.784 -2.263 1.00 0.00 H new ATOM 0 HD3 LYS A 79 2.184 10.474 -1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.688 9.759 -2.776 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.222 8.885 -3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.342 9.976 -5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.716 10.427 -4.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 2.954 11.486 -4.416 1.00 0.00 H new ATOM 1233 N VAL A 80 0.198 9.904 1.227 1.00 0.00 N ATOM 1234 CA VAL A 80 1.247 9.392 2.132 1.00 0.00 C ATOM 1235 C VAL A 80 1.950 8.159 1.567 1.00 0.00 C ATOM 1236 O VAL A 80 1.324 7.156 1.226 1.00 0.00 O ATOM 1237 CB VAL A 80 0.738 9.145 3.560 1.00 0.00 C ATOM 1238 CG1 VAL A 80 1.943 8.827 4.460 1.00 0.00 C ATOM 1239 CG2 VAL A 80 -0.032 10.367 4.083 1.00 0.00 C ATOM 0 H VAL A 80 -0.560 9.242 1.059 1.00 0.00 H new ATOM 0 HA VAL A 80 1.990 10.186 2.200 1.00 0.00 H new ATOM 0 HB VAL A 80 0.047 8.302 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.599 8.649 5.479 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.451 7.937 4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.635 9.669 4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.383 10.170 5.096 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.626 11.236 4.090 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.886 10.564 3.435 1.00 0.00 H new ATOM 1249 N GLU A 81 3.266 8.286 1.429 1.00 0.00 N ATOM 1250 CA GLU A 81 4.197 7.367 0.768 1.00 0.00 C ATOM 1251 C GLU A 81 5.467 7.163 1.625 1.00 0.00 C ATOM 1252 O GLU A 81 5.805 8.018 2.443 1.00 0.00 O ATOM 1253 CB GLU A 81 4.458 7.907 -0.647 1.00 0.00 C ATOM 1254 CG GLU A 81 5.427 7.100 -1.515 1.00 0.00 C ATOM 1255 CD GLU A 81 4.949 5.662 -1.785 1.00 0.00 C ATOM 1256 OE1 GLU A 81 5.159 4.789 -0.910 1.00 0.00 O ATOM 1257 OE2 GLU A 81 4.394 5.395 -2.877 1.00 0.00 O ATOM 0 H GLU A 81 3.752 9.100 1.806 1.00 0.00 H new ATOM 0 HA GLU A 81 3.776 6.367 0.668 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.504 7.971 -1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.843 8.923 -0.559 1.00 0.00 H new ATOM 0 HG2 GLU A 81 5.566 7.614 -2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.400 7.066 -1.026 1.00 0.00 H new ATOM 1264 N GLN A 82 6.189 6.050 1.480 1.00 0.00 N ATOM 1265 CA GLN A 82 7.345 5.717 2.328 1.00 0.00 C ATOM 1266 C GLN A 82 8.631 5.985 1.531 1.00 0.00 C ATOM 1267 O GLN A 82 8.814 5.499 0.412 1.00 0.00 O ATOM 1268 CB GLN A 82 7.241 4.258 2.769 1.00 0.00 C ATOM 1269 CG GLN A 82 8.429 3.895 3.670 1.00 0.00 C ATOM 1270 CD GLN A 82 8.109 2.763 4.633 1.00 0.00 C ATOM 1271 OE1 GLN A 82 7.208 1.956 4.453 1.00 0.00 O ATOM 1272 NE2 GLN A 82 8.827 2.679 5.723 1.00 0.00 N ATOM 0 H GLN A 82 5.990 5.347 0.768 1.00 0.00 H new ATOM 0 HA GLN A 82 7.363 6.334 3.226 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.305 4.097 3.305 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.224 3.606 1.896 1.00 0.00 H new ATOM 0 HG2 GLN A 82 9.277 3.609 3.048 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.732 4.775 4.237 1.00 0.00 H new ATOM 0 HE21 GLN A 82 9.582 3.344 5.889 1.00 0.00 H new ATOM 0 HE22 GLN A 82 8.632 1.948 6.407 1.00 0.00 H new ATOM 1281 N ALA A 83 9.488 6.844 2.095 1.00 0.00 N ATOM 1282 CA ALA A 83 10.611 7.434 1.368 1.00 0.00 C ATOM 1283 C ALA A 83 11.712 6.474 0.870 1.00 0.00 C ATOM 1284 O ALA A 83 11.934 5.381 1.400 1.00 0.00 O ATOM 1285 CB ALA A 83 11.226 8.563 2.204 1.00 0.00 C ATOM 0 H ALA A 83 9.420 7.147 3.066 1.00 0.00 H new ATOM 0 HA ALA A 83 10.167 7.805 0.445 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.063 9.003 1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.473 9.328 2.392 1.00 0.00 H new ATOM 0 HB3 ALA A 83 11.580 8.161 3.154 1.00 0.00 H new ATOM 1291 N LYS A 84 12.452 6.998 -0.116 1.00 0.00 N ATOM 1292 CA LYS A 84 13.671 6.355 -0.642 1.00 0.00 C ATOM 1293 C LYS A 84 14.705 7.444 -0.972 1.00 0.00 C ATOM 1294 O LYS A 84 14.419 8.624 -0.779 1.00 0.00 O ATOM 1295 CB LYS A 84 13.289 5.575 -1.920 1.00 0.00 C ATOM 1296 CG LYS A 84 12.949 4.093 -1.696 1.00 0.00 C ATOM 1297 CD LYS A 84 14.085 3.260 -1.078 1.00 0.00 C ATOM 1298 CE LYS A 84 13.839 2.967 0.406 1.00 0.00 C ATOM 1299 NZ LYS A 84 14.970 2.213 1.004 1.00 0.00 N ATOM 0 H LYS A 84 12.225 7.881 -0.574 1.00 0.00 H new ATOM 0 HA LYS A 84 14.100 5.671 0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 84 12.432 6.063 -2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.115 5.640 -2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 84 12.075 4.029 -1.048 1.00 0.00 H new ATOM 0 HG3 LYS A 84 12.670 3.650 -2.652 1.00 0.00 H new ATOM 0 HD2 LYS A 84 14.183 2.320 -1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 84 15.029 3.794 -1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 84 13.699 3.904 0.945 1.00 0.00 H new ATOM 0 HE3 LYS A 84 12.918 2.394 0.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 14.773 2.030 2.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 15.087 1.309 0.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 15.843 2.771 0.918 1.00 0.00 H new ATOM 1313 N LYS A 85 15.901 7.063 -1.447 1.00 0.00 N ATOM 1314 CA LYS A 85 16.871 8.027 -2.019 1.00 0.00 C ATOM 1315 C LYS A 85 16.249 8.924 -3.121 1.00 0.00 C ATOM 1316 O LYS A 85 15.275 8.503 -3.757 1.00 0.00 O ATOM 1317 CB LYS A 85 18.131 7.252 -2.473 1.00 0.00 C ATOM 1318 CG LYS A 85 17.961 6.195 -3.589 1.00 0.00 C ATOM 1319 CD LYS A 85 17.853 6.704 -5.040 1.00 0.00 C ATOM 1320 CE LYS A 85 18.984 7.638 -5.498 1.00 0.00 C ATOM 1321 NZ LYS A 85 20.304 6.954 -5.557 1.00 0.00 N ATOM 0 H LYS A 85 16.225 6.096 -1.449 1.00 0.00 H new ATOM 0 HA LYS A 85 17.171 8.739 -1.250 1.00 0.00 H new ATOM 0 HB2 LYS A 85 18.869 7.980 -2.810 1.00 0.00 H new ATOM 0 HB3 LYS A 85 18.551 6.753 -1.600 1.00 0.00 H new ATOM 0 HG2 LYS A 85 18.807 5.510 -3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 85 17.065 5.614 -3.369 1.00 0.00 H new ATOM 0 HD2 LYS A 85 17.823 5.843 -5.708 1.00 0.00 H new ATOM 0 HD3 LYS A 85 16.904 7.228 -5.153 1.00 0.00 H new ATOM 0 HE2 LYS A 85 18.743 8.039 -6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 85 19.049 8.486 -4.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 21.031 7.628 -5.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 20.551 6.594 -4.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 20.254 6.161 -6.228 1.00 0.00 H new ATOM 1335 N PRO A 86 16.782 10.135 -3.384 1.00 0.00 N ATOM 1336 CA PRO A 86 16.163 11.087 -4.309 1.00 0.00 C ATOM 1337 C PRO A 86 16.265 10.619 -5.770 1.00 0.00 C ATOM 1338 O PRO A 86 17.327 10.179 -6.216 1.00 0.00 O ATOM 1339 CB PRO A 86 16.860 12.427 -4.031 1.00 0.00 C ATOM 1340 CG PRO A 86 18.236 12.022 -3.539 1.00 0.00 C ATOM 1341 CD PRO A 86 17.950 10.740 -2.754 1.00 0.00 C ATOM 0 HA PRO A 86 15.088 11.180 -4.152 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.921 13.041 -4.930 1.00 0.00 H new ATOM 0 HB3 PRO A 86 16.323 13.010 -3.283 1.00 0.00 H new ATOM 0 HG2 PRO A 86 18.925 11.846 -4.365 1.00 0.00 H new ATOM 0 HG3 PRO A 86 18.683 12.791 -2.909 1.00 0.00 H new ATOM 0 HD2 PRO A 86 18.805 10.064 -2.786 1.00 0.00 H new ATOM 0 HD3 PRO A 86 17.757 10.960 -1.704 1.00 0.00 H new