USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 459 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 12 LYS NZ :NH3+ -167:sc= 2.69 (180deg=2.49) USER MOD Set 1.2: A 46 LYS NZ :NH3+ 180:sc= 2.48 (180deg=2.48) USER MOD Set 2.1: A 13 TYR OH : rot 180:sc= 0.96 USER MOD Set 2.2: A 23 TYR OH : rot 159:sc= 1.43 USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= 1.25 (180deg=1.22) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 161:sc= 1.27 (180deg=1.13) USER MOD Single : A 20 LYS NZ :NH3+ 161:sc= 1.24 (180deg=1.03) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0.571 K(o=0.57,f=0) USER MOD Single : A 33 THR OG1 : rot -37:sc= 1.27 USER MOD Single : A 42 LYS NZ :NH3+ -179:sc= 1.07 (180deg=1.03) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -176:sc= 1.11 (180deg=1.01) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0.969 K(o=0.97,f=-6!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 100 N ILE A 6 18.568 -48.868 1.956 1.00 0.00 N ATOM 101 CA ILE A 6 18.400 -49.378 0.575 1.00 0.00 C ATOM 102 C ILE A 6 18.782 -50.865 0.523 1.00 0.00 C ATOM 103 O ILE A 6 17.994 -51.649 -0.005 1.00 0.00 O ATOM 104 CB ILE A 6 19.177 -48.638 -0.576 1.00 0.00 C ATOM 105 CG1 ILE A 6 18.908 -47.125 -0.622 1.00 0.00 C ATOM 106 CG2 ILE A 6 18.890 -49.217 -2.013 1.00 0.00 C ATOM 107 CD1 ILE A 6 20.027 -46.336 0.059 1.00 0.00 C ATOM 0 HA ILE A 6 17.346 -49.189 0.370 1.00 0.00 H new ATOM 0 HB ILE A 6 20.221 -48.818 -0.318 1.00 0.00 H new ATOM 0 HG12 ILE A 6 18.813 -46.803 -1.659 1.00 0.00 H new ATOM 0 HG13 ILE A 6 17.959 -46.908 -0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 6 19.461 -48.655 -2.752 1.00 0.00 H new ATOM 0 HG22 ILE A 6 19.184 -50.266 -2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.826 -49.131 -2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 6 19.804 -45.270 0.008 1.00 0.00 H new ATOM 0 HD12 ILE A 6 20.104 -46.641 1.103 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.972 -46.534 -0.447 1.00 0.00 H new ATOM 119 N GLU A 7 19.946 -51.254 1.085 1.00 0.00 N ATOM 120 CA GLU A 7 20.358 -52.659 1.160 1.00 0.00 C ATOM 121 C GLU A 7 19.316 -53.534 1.868 1.00 0.00 C ATOM 122 O GLU A 7 18.845 -54.446 1.199 1.00 0.00 O ATOM 123 CB GLU A 7 21.743 -52.849 1.819 1.00 0.00 C ATOM 124 CG GLU A 7 22.936 -52.328 0.958 1.00 0.00 C ATOM 125 CD GLU A 7 24.275 -52.336 1.708 1.00 0.00 C ATOM 126 OE1 GLU A 7 24.630 -53.334 2.347 1.00 0.00 O ATOM 127 OE2 GLU A 7 24.968 -51.323 1.660 1.00 0.00 O ATOM 0 H GLU A 7 20.617 -50.604 1.494 1.00 0.00 H new ATOM 0 HA GLU A 7 20.438 -52.987 0.124 1.00 0.00 H new ATOM 0 HB2 GLU A 7 21.750 -52.334 2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 7 21.893 -53.909 2.025 1.00 0.00 H new ATOM 0 HG2 GLU A 7 23.025 -52.944 0.063 1.00 0.00 H new ATOM 0 HG3 GLU A 7 22.719 -51.313 0.626 1.00 0.00 H new ATOM 134 N GLU A 8 18.869 -53.330 3.120 1.00 0.00 N ATOM 135 CA GLU A 8 17.874 -54.239 3.704 1.00 0.00 C ATOM 136 C GLU A 8 16.462 -54.147 3.087 1.00 0.00 C ATOM 137 O GLU A 8 15.691 -55.067 3.352 1.00 0.00 O ATOM 138 CB GLU A 8 17.892 -54.321 5.266 1.00 0.00 C ATOM 139 CG GLU A 8 17.557 -53.063 6.129 1.00 0.00 C ATOM 140 CD GLU A 8 16.094 -52.607 6.113 1.00 0.00 C ATOM 141 OE1 GLU A 8 15.170 -53.394 6.365 1.00 0.00 O ATOM 142 OE2 GLU A 8 15.873 -51.423 5.866 1.00 0.00 O ATOM 0 H GLU A 8 19.170 -52.569 3.728 1.00 0.00 H new ATOM 0 HA GLU A 8 18.228 -55.220 3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 8 17.192 -55.105 5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 8 18.887 -54.657 5.559 1.00 0.00 H new ATOM 0 HG2 GLU A 8 17.841 -53.269 7.161 1.00 0.00 H new ATOM 0 HG3 GLU A 8 18.178 -52.236 5.786 1.00 0.00 H new ATOM 149 N GLU A 9 16.019 -53.148 2.301 1.00 0.00 N ATOM 150 CA GLU A 9 14.811 -53.335 1.475 1.00 0.00 C ATOM 151 C GLU A 9 15.098 -53.980 0.111 1.00 0.00 C ATOM 152 O GLU A 9 14.582 -55.067 -0.170 1.00 0.00 O ATOM 153 CB GLU A 9 13.986 -52.030 1.344 1.00 0.00 C ATOM 154 CG GLU A 9 12.506 -52.254 1.792 1.00 0.00 C ATOM 155 CD GLU A 9 12.389 -52.599 3.278 1.00 0.00 C ATOM 156 OE1 GLU A 9 12.601 -51.707 4.105 1.00 0.00 O ATOM 157 OE2 GLU A 9 12.131 -53.753 3.630 1.00 0.00 O ATOM 0 H GLU A 9 16.461 -52.232 2.220 1.00 0.00 H new ATOM 0 HA GLU A 9 14.193 -54.052 2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 9 14.439 -51.247 1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 9 14.008 -51.684 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.927 -51.354 1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.068 -53.058 1.200 1.00 0.00 H new ATOM 164 N ALA A 10 15.893 -53.330 -0.743 1.00 0.00 N ATOM 165 CA ALA A 10 16.311 -53.907 -2.028 1.00 0.00 C ATOM 166 C ALA A 10 17.238 -55.155 -1.984 1.00 0.00 C ATOM 167 O ALA A 10 17.599 -55.645 -3.055 1.00 0.00 O ATOM 168 CB ALA A 10 16.892 -52.762 -2.881 1.00 0.00 C ATOM 0 H ALA A 10 16.264 -52.396 -0.567 1.00 0.00 H new ATOM 0 HA ALA A 10 15.419 -54.339 -2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 10 17.214 -53.154 -3.846 1.00 0.00 H new ATOM 0 HB2 ALA A 10 16.128 -52.000 -3.036 1.00 0.00 H new ATOM 0 HB3 ALA A 10 17.745 -52.321 -2.366 1.00 0.00 H new ATOM 174 N ALA A 11 17.706 -55.705 -0.851 1.00 0.00 N ATOM 175 CA ALA A 11 18.138 -57.111 -0.772 1.00 0.00 C ATOM 176 C ALA A 11 17.002 -58.123 -0.525 1.00 0.00 C ATOM 177 O ALA A 11 17.135 -59.274 -0.948 1.00 0.00 O ATOM 178 CB ALA A 11 19.240 -57.294 0.294 1.00 0.00 C ATOM 0 H ALA A 11 17.795 -55.194 0.027 1.00 0.00 H new ATOM 0 HA ALA A 11 18.532 -57.334 -1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 11 19.540 -58.341 0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 11 20.102 -56.678 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 11 18.857 -56.992 1.269 1.00 0.00 H new ATOM 184 N LYS A 12 15.897 -57.749 0.147 1.00 0.00 N ATOM 185 CA LYS A 12 14.817 -58.690 0.474 1.00 0.00 C ATOM 186 C LYS A 12 14.041 -59.164 -0.766 1.00 0.00 C ATOM 187 O LYS A 12 13.816 -60.372 -0.915 1.00 0.00 O ATOM 188 CB LYS A 12 13.799 -58.113 1.499 1.00 0.00 C ATOM 189 CG LYS A 12 14.327 -57.878 2.928 1.00 0.00 C ATOM 190 CD LYS A 12 13.145 -57.547 3.876 1.00 0.00 C ATOM 191 CE LYS A 12 13.522 -56.873 5.204 1.00 0.00 C ATOM 192 NZ LYS A 12 13.818 -55.469 4.931 1.00 0.00 N ATOM 0 H LYS A 12 15.731 -56.797 0.474 1.00 0.00 H new ATOM 0 HA LYS A 12 15.330 -59.541 0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.424 -57.165 1.113 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.949 -58.792 1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.852 -58.765 3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 12 15.047 -57.060 2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.449 -56.897 3.345 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.612 -58.471 4.098 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.704 -56.958 5.920 1.00 0.00 H new ATOM 0 HE3 LYS A 12 14.387 -57.365 5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.284 -55.045 5.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.448 -55.401 4.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 12.933 -54.960 4.733 1.00 0.00 H new ATOM 206 N TYR A 13 13.577 -58.216 -1.604 1.00 0.00 N ATOM 207 CA TYR A 13 12.772 -58.437 -2.822 1.00 0.00 C ATOM 208 C TYR A 13 11.376 -59.074 -2.612 1.00 0.00 C ATOM 209 O TYR A 13 10.445 -58.796 -3.367 1.00 0.00 O ATOM 210 CB TYR A 13 13.607 -59.145 -3.942 1.00 0.00 C ATOM 211 CG TYR A 13 14.265 -58.140 -4.911 1.00 0.00 C ATOM 212 CD1 TYR A 13 15.036 -57.066 -4.485 1.00 0.00 C ATOM 213 CD2 TYR A 13 14.070 -58.260 -6.279 1.00 0.00 C ATOM 214 CE1 TYR A 13 15.569 -56.159 -5.381 1.00 0.00 C ATOM 215 CE2 TYR A 13 14.601 -57.352 -7.177 1.00 0.00 C ATOM 216 CZ TYR A 13 15.346 -56.295 -6.725 1.00 0.00 C ATOM 217 OH TYR A 13 15.837 -55.379 -7.600 1.00 0.00 O ATOM 0 H TYR A 13 13.763 -57.226 -1.442 1.00 0.00 H new ATOM 0 HA TYR A 13 12.523 -57.433 -3.167 1.00 0.00 H new ATOM 0 HB2 TYR A 13 14.380 -59.760 -3.481 1.00 0.00 H new ATOM 0 HB3 TYR A 13 12.959 -59.817 -4.505 1.00 0.00 H new ATOM 0 HD1 TYR A 13 15.223 -56.937 -3.429 1.00 0.00 H new ATOM 0 HD2 TYR A 13 13.486 -59.087 -6.654 1.00 0.00 H new ATOM 0 HE1 TYR A 13 16.167 -55.336 -5.018 1.00 0.00 H new ATOM 0 HE2 TYR A 13 14.428 -57.476 -8.236 1.00 0.00 H new ATOM 0 HH TYR A 13 15.585 -55.631 -8.513 1.00 0.00 H new ATOM 227 N LYS A 14 11.232 -59.933 -1.597 1.00 0.00 N ATOM 228 CA LYS A 14 9.969 -60.467 -1.074 1.00 0.00 C ATOM 229 C LYS A 14 9.043 -59.358 -0.529 1.00 0.00 C ATOM 230 O LYS A 14 7.822 -59.414 -0.692 1.00 0.00 O ATOM 231 CB LYS A 14 10.319 -61.484 0.049 1.00 0.00 C ATOM 232 CG LYS A 14 11.245 -62.622 -0.450 1.00 0.00 C ATOM 233 CD LYS A 14 12.005 -63.322 0.697 1.00 0.00 C ATOM 234 CE LYS A 14 13.377 -63.829 0.231 1.00 0.00 C ATOM 235 NZ LYS A 14 14.320 -62.711 0.211 1.00 0.00 N ATOM 0 H LYS A 14 12.039 -60.295 -1.089 1.00 0.00 H new ATOM 0 HA LYS A 14 9.421 -60.949 -1.884 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.804 -60.959 0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.399 -61.915 0.444 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.649 -63.359 -0.988 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.964 -62.214 -1.160 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.135 -62.627 1.527 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.414 -64.158 1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 14 13.736 -64.611 0.900 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.297 -64.271 -0.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.233 -63.034 -0.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.944 -61.951 -0.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.454 -62.353 1.178 1.00 0.00 H new ATOM 249 N TYR A 15 9.612 -58.330 0.120 1.00 0.00 N ATOM 250 CA TYR A 15 8.921 -57.068 0.419 1.00 0.00 C ATOM 251 C TYR A 15 8.818 -56.174 -0.842 1.00 0.00 C ATOM 252 O TYR A 15 9.341 -55.056 -0.940 1.00 0.00 O ATOM 253 CB TYR A 15 9.650 -56.358 1.598 1.00 0.00 C ATOM 254 CG TYR A 15 9.359 -56.933 3.001 1.00 0.00 C ATOM 255 CD1 TYR A 15 8.779 -58.174 3.250 1.00 0.00 C ATOM 256 CD2 TYR A 15 9.685 -56.170 4.111 1.00 0.00 C ATOM 257 CE1 TYR A 15 8.539 -58.621 4.536 1.00 0.00 C ATOM 258 CE2 TYR A 15 9.446 -56.608 5.399 1.00 0.00 C ATOM 259 CZ TYR A 15 8.874 -57.833 5.610 1.00 0.00 C ATOM 260 OH TYR A 15 8.647 -58.252 6.881 1.00 0.00 O ATOM 0 H TYR A 15 10.575 -58.353 0.455 1.00 0.00 H new ATOM 0 HA TYR A 15 7.895 -57.273 0.725 1.00 0.00 H new ATOM 0 HB2 TYR A 15 10.724 -56.406 1.420 1.00 0.00 H new ATOM 0 HB3 TYR A 15 9.373 -55.304 1.592 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.509 -58.805 2.416 1.00 0.00 H new ATOM 0 HD2 TYR A 15 10.141 -55.202 3.964 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.088 -59.589 4.696 1.00 0.00 H new ATOM 0 HE2 TYR A 15 9.711 -55.984 6.240 1.00 0.00 H new ATOM 0 HH TYR A 15 8.949 -57.565 7.511 1.00 0.00 H new ATOM 270 N ALA A 16 8.042 -56.733 -1.782 1.00 0.00 N ATOM 271 CA ALA A 16 7.953 -56.308 -3.177 1.00 0.00 C ATOM 272 C ALA A 16 7.544 -54.844 -3.413 1.00 0.00 C ATOM 273 O ALA A 16 8.190 -54.144 -4.202 1.00 0.00 O ATOM 274 CB ALA A 16 6.985 -57.275 -3.894 1.00 0.00 C ATOM 0 H ALA A 16 7.435 -57.527 -1.577 1.00 0.00 H new ATOM 0 HA ALA A 16 8.962 -56.350 -3.586 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.893 -56.988 -4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.372 -58.292 -3.829 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.006 -57.229 -3.418 1.00 0.00 H new ATOM 280 N MET A 17 6.489 -54.408 -2.713 1.00 0.00 N ATOM 281 CA MET A 17 5.974 -53.039 -2.760 1.00 0.00 C ATOM 282 C MET A 17 6.909 -52.011 -2.097 1.00 0.00 C ATOM 283 O MET A 17 7.010 -50.879 -2.570 1.00 0.00 O ATOM 284 CB MET A 17 4.574 -52.990 -2.098 1.00 0.00 C ATOM 285 CG MET A 17 3.502 -53.774 -2.888 1.00 0.00 C ATOM 286 SD MET A 17 1.875 -53.723 -2.092 1.00 0.00 S ATOM 287 CE MET A 17 1.908 -55.262 -1.139 1.00 0.00 C ATOM 0 H MET A 17 5.960 -55.013 -2.085 1.00 0.00 H new ATOM 0 HA MET A 17 5.908 -52.760 -3.812 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.642 -53.395 -1.088 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.259 -51.951 -2.004 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.423 -53.362 -3.894 1.00 0.00 H new ATOM 0 HG3 MET A 17 3.819 -54.812 -2.992 1.00 0.00 H new ATOM 0 HE1 MET A 17 0.971 -55.372 -0.593 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.035 -56.107 -1.816 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.738 -55.235 -0.433 1.00 0.00 H new ATOM 297 N LEU A 18 7.630 -52.404 -1.038 1.00 0.00 N ATOM 298 CA LEU A 18 8.506 -51.503 -0.283 1.00 0.00 C ATOM 299 C LEU A 18 9.828 -51.254 -1.024 1.00 0.00 C ATOM 300 O LEU A 18 10.289 -50.116 -1.153 1.00 0.00 O ATOM 301 CB LEU A 18 8.732 -52.053 1.153 1.00 0.00 C ATOM 302 CG LEU A 18 7.457 -52.469 1.935 1.00 0.00 C ATOM 303 CD1 LEU A 18 7.822 -52.834 3.377 1.00 0.00 C ATOM 304 CD2 LEU A 18 6.379 -51.382 1.946 1.00 0.00 C ATOM 0 H LEU A 18 7.621 -53.359 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 18 8.015 -50.534 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.392 -52.918 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.257 -51.293 1.732 1.00 0.00 H new ATOM 0 HG LEU A 18 7.042 -53.333 1.415 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.921 -53.124 3.918 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.528 -53.665 3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.277 -51.973 3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.514 -51.733 2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.775 -50.481 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.080 -51.156 0.923 1.00 0.00 H new ATOM 316 N LYS A 19 10.435 -52.328 -1.539 1.00 0.00 N ATOM 317 CA LYS A 19 11.484 -52.218 -2.548 1.00 0.00 C ATOM 318 C LYS A 19 11.014 -51.483 -3.827 1.00 0.00 C ATOM 319 O LYS A 19 11.801 -50.730 -4.406 1.00 0.00 O ATOM 320 CB LYS A 19 11.963 -53.682 -2.815 1.00 0.00 C ATOM 321 CG LYS A 19 12.784 -53.991 -4.098 1.00 0.00 C ATOM 322 CD LYS A 19 11.969 -54.285 -5.393 1.00 0.00 C ATOM 323 CE LYS A 19 11.172 -55.590 -5.396 1.00 0.00 C ATOM 324 NZ LYS A 19 9.861 -55.319 -5.972 1.00 0.00 N ATOM 0 H LYS A 19 10.214 -53.287 -1.269 1.00 0.00 H new ATOM 0 HA LYS A 19 12.309 -51.599 -2.196 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.563 -53.992 -1.959 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.078 -54.319 -2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 19 13.442 -53.144 -4.294 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.423 -54.850 -3.895 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.278 -53.459 -5.560 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.658 -54.300 -6.238 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.692 -56.352 -5.976 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.070 -55.976 -4.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 9.427 -56.212 -6.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.254 -54.868 -5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.965 -54.683 -6.788 1.00 0.00 H new ATOM 338 N LYS A 20 9.772 -51.667 -4.317 1.00 0.00 N ATOM 339 CA LYS A 20 9.232 -50.824 -5.390 1.00 0.00 C ATOM 340 C LYS A 20 9.135 -49.348 -4.944 1.00 0.00 C ATOM 341 O LYS A 20 9.451 -48.501 -5.778 1.00 0.00 O ATOM 342 CB LYS A 20 7.839 -51.324 -5.845 1.00 0.00 C ATOM 343 CG LYS A 20 7.295 -50.614 -7.115 1.00 0.00 C ATOM 344 CD LYS A 20 5.781 -50.832 -7.337 1.00 0.00 C ATOM 345 CE LYS A 20 4.858 -50.047 -6.384 1.00 0.00 C ATOM 346 NZ LYS A 20 4.910 -48.620 -6.695 1.00 0.00 N ATOM 0 H LYS A 20 9.131 -52.388 -3.986 1.00 0.00 H new ATOM 0 HA LYS A 20 9.921 -50.891 -6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 20 7.894 -52.396 -6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.129 -51.182 -5.030 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.494 -49.545 -7.038 1.00 0.00 H new ATOM 0 HG3 LYS A 20 7.839 -50.977 -7.987 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.537 -50.556 -8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.564 -51.895 -7.233 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.834 -50.410 -6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.163 -50.213 -5.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.077 -48.146 -6.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.774 -48.207 -6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.916 -48.490 -7.727 1.00 0.00 H new ATOM 360 N CYS A 21 8.738 -48.984 -3.702 1.00 0.00 N ATOM 361 CA CYS A 21 8.907 -47.607 -3.201 1.00 0.00 C ATOM 362 C CYS A 21 10.353 -47.076 -3.292 1.00 0.00 C ATOM 363 O CYS A 21 10.533 -45.922 -3.689 1.00 0.00 O ATOM 364 CB CYS A 21 8.402 -47.448 -1.759 1.00 0.00 C ATOM 365 SG CYS A 21 6.621 -47.183 -1.575 1.00 0.00 S ATOM 0 H CYS A 21 8.302 -49.622 -3.036 1.00 0.00 H new ATOM 0 HA CYS A 21 8.294 -47.004 -3.871 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.678 -48.340 -1.197 1.00 0.00 H new ATOM 0 HB3 CYS A 21 8.925 -46.608 -1.301 1.00 0.00 H new ATOM 370 N CYS A 22 11.371 -47.898 -2.964 1.00 0.00 N ATOM 371 CA CYS A 22 12.778 -47.617 -3.318 1.00 0.00 C ATOM 372 C CYS A 22 12.924 -47.237 -4.785 1.00 0.00 C ATOM 373 O CYS A 22 13.407 -46.157 -5.125 1.00 0.00 O ATOM 374 CB CYS A 22 13.727 -48.748 -2.847 1.00 0.00 C ATOM 375 SG CYS A 22 15.315 -48.158 -2.190 1.00 0.00 S ATOM 0 H CYS A 22 11.243 -48.770 -2.450 1.00 0.00 H new ATOM 0 HA CYS A 22 13.099 -46.734 -2.765 1.00 0.00 H new ATOM 0 HB2 CYS A 22 13.223 -49.334 -2.078 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.919 -49.419 -3.684 1.00 0.00 H new ATOM 380 N TYR A 23 12.423 -48.081 -5.660 1.00 0.00 N ATOM 381 CA TYR A 23 12.602 -47.865 -7.082 1.00 0.00 C ATOM 382 C TYR A 23 11.730 -46.727 -7.672 1.00 0.00 C ATOM 383 O TYR A 23 12.127 -46.104 -8.659 1.00 0.00 O ATOM 384 CB TYR A 23 12.509 -49.247 -7.689 1.00 0.00 C ATOM 385 CG TYR A 23 13.562 -50.233 -7.104 1.00 0.00 C ATOM 386 CD1 TYR A 23 14.623 -49.955 -6.200 1.00 0.00 C ATOM 387 CD2 TYR A 23 13.523 -51.492 -7.663 1.00 0.00 C ATOM 388 CE1 TYR A 23 15.604 -50.911 -5.979 1.00 0.00 C ATOM 389 CE2 TYR A 23 14.501 -52.432 -7.431 1.00 0.00 C ATOM 390 CZ TYR A 23 15.547 -52.140 -6.600 1.00 0.00 C ATOM 391 OH TYR A 23 16.512 -53.083 -6.415 1.00 0.00 O ATOM 0 H TYR A 23 11.892 -48.917 -5.417 1.00 0.00 H new ATOM 0 HA TYR A 23 13.571 -47.439 -7.340 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.509 -49.647 -7.520 1.00 0.00 H new ATOM 0 HB3 TYR A 23 12.645 -49.175 -8.768 1.00 0.00 H new ATOM 0 HD1 TYR A 23 14.665 -49.005 -5.688 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.695 -51.750 -8.306 1.00 0.00 H new ATOM 0 HE1 TYR A 23 16.423 -50.689 -5.311 1.00 0.00 H new ATOM 0 HE2 TYR A 23 14.442 -53.400 -7.905 1.00 0.00 H new ATOM 0 HH TYR A 23 16.153 -53.967 -6.639 1.00 0.00 H new ATOM 401 N ASP A 24 10.581 -46.402 -7.053 1.00 0.00 N ATOM 402 CA ASP A 24 9.861 -45.134 -7.255 1.00 0.00 C ATOM 403 C ASP A 24 10.681 -43.891 -6.837 1.00 0.00 C ATOM 404 O ASP A 24 10.569 -42.837 -7.473 1.00 0.00 O ATOM 405 CB ASP A 24 8.484 -45.156 -6.523 1.00 0.00 C ATOM 406 CG ASP A 24 7.521 -46.211 -7.075 1.00 0.00 C ATOM 407 OD1 ASP A 24 7.324 -46.276 -8.285 1.00 0.00 O ATOM 408 OD2 ASP A 24 6.922 -46.944 -6.285 1.00 0.00 O ATOM 0 H ASP A 24 10.120 -47.023 -6.388 1.00 0.00 H new ATOM 0 HA ASP A 24 9.694 -45.046 -8.329 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.648 -45.343 -5.462 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.021 -44.173 -6.605 1.00 0.00 H new ATOM 413 N GLY A 25 11.475 -43.987 -5.759 1.00 0.00 N ATOM 414 CA GLY A 25 12.482 -42.976 -5.401 1.00 0.00 C ATOM 415 C GLY A 25 13.685 -42.905 -6.350 1.00 0.00 C ATOM 416 O GLY A 25 14.109 -41.805 -6.704 1.00 0.00 O ATOM 0 H GLY A 25 11.436 -44.772 -5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.001 -41.998 -5.372 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.843 -43.183 -4.394 1.00 0.00 H new ATOM 420 N ALA A 26 14.245 -44.060 -6.745 1.00 0.00 N ATOM 421 CA ALA A 26 15.350 -44.145 -7.709 1.00 0.00 C ATOM 422 C ALA A 26 15.003 -43.632 -9.124 1.00 0.00 C ATOM 423 O ALA A 26 15.876 -43.087 -9.809 1.00 0.00 O ATOM 424 CB ALA A 26 15.864 -45.595 -7.775 1.00 0.00 C ATOM 0 H ALA A 26 13.939 -44.969 -6.399 1.00 0.00 H new ATOM 0 HA ALA A 26 16.129 -43.477 -7.342 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.684 -45.658 -8.490 1.00 0.00 H new ATOM 0 HB2 ALA A 26 16.217 -45.901 -6.790 1.00 0.00 H new ATOM 0 HB3 ALA A 26 15.055 -46.254 -8.091 1.00 0.00 H new ATOM 430 N TYR A 27 13.760 -43.792 -9.603 1.00 0.00 N ATOM 431 CA TYR A 27 13.290 -43.109 -10.814 1.00 0.00 C ATOM 432 C TYR A 27 12.827 -41.651 -10.560 1.00 0.00 C ATOM 433 O TYR A 27 11.666 -41.280 -10.756 1.00 0.00 O ATOM 434 CB TYR A 27 12.203 -43.970 -11.519 1.00 0.00 C ATOM 435 CG TYR A 27 12.827 -45.187 -12.222 1.00 0.00 C ATOM 436 CD1 TYR A 27 13.314 -45.098 -13.515 1.00 0.00 C ATOM 437 CD2 TYR A 27 12.923 -46.415 -11.591 1.00 0.00 C ATOM 438 CE1 TYR A 27 13.875 -46.190 -14.149 1.00 0.00 C ATOM 439 CE2 TYR A 27 13.481 -47.513 -12.217 1.00 0.00 C ATOM 440 CZ TYR A 27 13.957 -47.395 -13.500 1.00 0.00 C ATOM 441 OH TYR A 27 14.508 -48.459 -14.137 1.00 0.00 O ATOM 0 H TYR A 27 13.060 -44.392 -9.166 1.00 0.00 H new ATOM 0 HA TYR A 27 14.141 -43.010 -11.488 1.00 0.00 H new ATOM 0 HB2 TYR A 27 11.470 -44.307 -10.786 1.00 0.00 H new ATOM 0 HB3 TYR A 27 11.668 -43.360 -12.248 1.00 0.00 H new ATOM 0 HD1 TYR A 27 13.254 -44.155 -14.039 1.00 0.00 H new ATOM 0 HD2 TYR A 27 12.552 -46.518 -10.582 1.00 0.00 H new ATOM 0 HE1 TYR A 27 14.250 -46.094 -15.157 1.00 0.00 H new ATOM 0 HE2 TYR A 27 13.543 -48.459 -11.700 1.00 0.00 H new ATOM 0 HH TYR A 27 14.494 -49.239 -13.544 1.00 0.00 H new ATOM 451 N ARG A 28 13.762 -40.806 -10.098 1.00 0.00 N ATOM 452 CA ARG A 28 13.562 -39.358 -10.002 1.00 0.00 C ATOM 453 C ARG A 28 14.089 -38.617 -11.256 1.00 0.00 C ATOM 454 O ARG A 28 15.092 -39.011 -11.866 1.00 0.00 O ATOM 455 CB ARG A 28 14.274 -38.865 -8.715 1.00 0.00 C ATOM 456 CG ARG A 28 14.047 -37.369 -8.393 1.00 0.00 C ATOM 457 CD ARG A 28 14.756 -36.941 -7.117 1.00 0.00 C ATOM 458 NE ARG A 28 14.684 -35.482 -7.043 1.00 0.00 N ATOM 459 CZ ARG A 28 15.533 -34.723 -6.412 1.00 0.00 C ATOM 460 NH1 ARG A 28 16.439 -35.167 -5.622 1.00 0.00 N ATOM 461 NH2 ARG A 28 15.427 -33.468 -6.588 1.00 0.00 N ATOM 0 H ARG A 28 14.681 -41.113 -9.780 1.00 0.00 H new ATOM 0 HA ARG A 28 12.496 -39.139 -9.950 1.00 0.00 H new ATOM 0 HB2 ARG A 28 13.928 -39.462 -7.871 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.344 -39.044 -8.815 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.403 -36.762 -9.225 1.00 0.00 H new ATOM 0 HG3 ARG A 28 12.978 -37.179 -8.294 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.283 -37.393 -6.245 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.794 -37.274 -7.125 1.00 0.00 H new ATOM 0 HE ARG A 28 13.909 -35.024 -7.523 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.525 -36.170 -5.457 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.074 -34.517 -5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.701 -33.099 -7.201 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.068 -32.831 -6.116 1.00 0.00 H new ATOM 475 N ASN A 29 13.414 -37.533 -11.653 1.00 0.00 N ATOM 476 CA ASN A 29 13.819 -36.699 -12.788 1.00 0.00 C ATOM 477 C ASN A 29 14.595 -35.453 -12.305 1.00 0.00 C ATOM 478 O ASN A 29 14.350 -34.938 -11.209 1.00 0.00 O ATOM 479 CB ASN A 29 12.558 -36.259 -13.584 1.00 0.00 C ATOM 480 CG ASN A 29 11.642 -37.437 -13.916 1.00 0.00 C ATOM 481 OD1 ASN A 29 11.672 -37.995 -15.004 1.00 0.00 O ATOM 482 ND2 ASN A 29 10.792 -37.854 -12.996 1.00 0.00 N ATOM 0 H ASN A 29 12.565 -37.208 -11.191 1.00 0.00 H new ATOM 0 HA ASN A 29 14.476 -37.283 -13.433 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.003 -35.522 -13.003 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.867 -35.770 -14.508 1.00 0.00 H new ATOM 0 HD21 ASN A 29 10.167 -38.635 -13.195 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.760 -37.395 -12.086 1.00 0.00 H new ATOM 489 N ASP A 30 15.510 -34.906 -13.117 1.00 0.00 N ATOM 490 CA ASP A 30 16.373 -33.759 -12.777 1.00 0.00 C ATOM 491 C ASP A 30 15.653 -32.387 -12.632 1.00 0.00 C ATOM 492 O ASP A 30 16.136 -31.340 -13.066 1.00 0.00 O ATOM 493 CB ASP A 30 17.564 -33.718 -13.796 1.00 0.00 C ATOM 494 CG ASP A 30 17.123 -33.718 -15.262 1.00 0.00 C ATOM 495 OD1 ASP A 30 16.532 -34.709 -15.694 1.00 0.00 O ATOM 496 OD2 ASP A 30 17.404 -32.747 -15.957 1.00 0.00 O ATOM 0 H ASP A 30 15.678 -35.259 -14.059 1.00 0.00 H new ATOM 0 HA ASP A 30 16.743 -33.926 -11.766 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.162 -32.827 -13.606 1.00 0.00 H new ATOM 0 HB3 ASP A 30 18.210 -34.578 -13.621 1.00 0.00 H new ATOM 501 N ASP A 31 14.504 -32.396 -11.944 1.00 0.00 N ATOM 502 CA ASP A 31 13.605 -31.249 -11.790 1.00 0.00 C ATOM 503 C ASP A 31 12.747 -31.335 -10.507 1.00 0.00 C ATOM 504 O ASP A 31 12.930 -30.513 -9.608 1.00 0.00 O ATOM 505 CB ASP A 31 12.752 -31.051 -13.094 1.00 0.00 C ATOM 506 CG ASP A 31 12.200 -32.360 -13.664 1.00 0.00 C ATOM 507 OD1 ASP A 31 11.335 -32.965 -13.029 1.00 0.00 O ATOM 508 OD2 ASP A 31 12.657 -32.772 -14.724 1.00 0.00 O ATOM 0 H ASP A 31 14.165 -33.230 -11.464 1.00 0.00 H new ATOM 0 HA ASP A 31 14.214 -30.354 -11.658 1.00 0.00 H new ATOM 0 HB2 ASP A 31 11.922 -30.379 -12.878 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.367 -30.564 -13.851 1.00 0.00 H new ATOM 513 N GLU A 32 11.793 -32.276 -10.406 1.00 0.00 N ATOM 514 CA GLU A 32 11.008 -32.512 -9.189 1.00 0.00 C ATOM 515 C GLU A 32 11.789 -33.061 -7.973 1.00 0.00 C ATOM 516 O GLU A 32 12.825 -33.732 -8.073 1.00 0.00 O ATOM 517 CB GLU A 32 9.717 -33.347 -9.484 1.00 0.00 C ATOM 518 CG GLU A 32 9.818 -34.673 -10.322 1.00 0.00 C ATOM 519 CD GLU A 32 10.474 -35.892 -9.655 1.00 0.00 C ATOM 520 OE1 GLU A 32 10.226 -36.184 -8.480 1.00 0.00 O ATOM 521 OE2 GLU A 32 11.186 -36.607 -10.360 1.00 0.00 O ATOM 0 H GLU A 32 11.545 -32.898 -11.175 1.00 0.00 H new ATOM 0 HA GLU A 32 10.712 -31.512 -8.871 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.269 -33.603 -8.524 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.016 -32.690 -9.998 1.00 0.00 H new ATOM 0 HG2 GLU A 32 8.810 -34.957 -10.622 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.372 -34.452 -11.234 1.00 0.00 H new ATOM 528 N THR A 33 11.270 -32.722 -6.787 1.00 0.00 N ATOM 529 CA THR A 33 11.743 -33.308 -5.528 1.00 0.00 C ATOM 530 C THR A 33 10.867 -34.509 -5.145 1.00 0.00 C ATOM 531 O THR A 33 9.635 -34.479 -5.255 1.00 0.00 O ATOM 532 CB THR A 33 11.805 -32.291 -4.353 1.00 0.00 C ATOM 533 OG1 THR A 33 10.536 -31.751 -4.026 1.00 0.00 O ATOM 534 CG2 THR A 33 12.698 -31.093 -4.643 1.00 0.00 C ATOM 0 H THR A 33 10.519 -32.042 -6.673 1.00 0.00 H new ATOM 0 HA THR A 33 12.768 -33.634 -5.704 1.00 0.00 H new ATOM 0 HB THR A 33 12.206 -32.883 -3.530 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.016 -31.618 -4.846 1.00 0.00 H new ATOM 0 HG21 THR A 33 12.698 -30.422 -3.784 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.715 -31.435 -4.836 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.322 -30.562 -5.518 1.00 0.00 H new ATOM 542 N CYS A 34 11.523 -35.577 -4.677 1.00 0.00 N ATOM 543 CA CYS A 34 10.864 -36.837 -4.326 1.00 0.00 C ATOM 544 C CYS A 34 9.800 -36.713 -3.218 1.00 0.00 C ATOM 545 O CYS A 34 8.838 -37.481 -3.199 1.00 0.00 O ATOM 546 CB CYS A 34 11.924 -37.895 -3.951 1.00 0.00 C ATOM 547 SG CYS A 34 12.984 -37.508 -2.534 1.00 0.00 S ATOM 0 H CYS A 34 12.532 -35.590 -4.531 1.00 0.00 H new ATOM 0 HA CYS A 34 10.315 -37.151 -5.214 1.00 0.00 H new ATOM 0 HB2 CYS A 34 11.411 -38.835 -3.747 1.00 0.00 H new ATOM 0 HB3 CYS A 34 12.562 -38.062 -4.819 1.00 0.00 H new ATOM 552 N GLU A 35 9.949 -35.721 -2.330 1.00 0.00 N ATOM 553 CA GLU A 35 9.003 -35.420 -1.257 1.00 0.00 C ATOM 554 C GLU A 35 7.627 -34.942 -1.755 1.00 0.00 C ATOM 555 O GLU A 35 6.660 -35.104 -1.018 1.00 0.00 O ATOM 556 CB GLU A 35 9.592 -34.327 -0.316 1.00 0.00 C ATOM 557 CG GLU A 35 10.927 -34.689 0.418 1.00 0.00 C ATOM 558 CD GLU A 35 12.219 -34.561 -0.409 1.00 0.00 C ATOM 559 OE1 GLU A 35 12.193 -34.172 -1.579 1.00 0.00 O ATOM 560 OE2 GLU A 35 13.271 -34.871 0.149 1.00 0.00 O ATOM 0 H GLU A 35 10.752 -35.092 -2.342 1.00 0.00 H new ATOM 0 HA GLU A 35 8.850 -36.361 -0.728 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.758 -33.424 -0.903 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.843 -34.084 0.437 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.019 -34.049 1.296 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.852 -35.715 0.778 1.00 0.00 H new ATOM 567 N GLU A 36 7.489 -34.356 -2.956 1.00 0.00 N ATOM 568 CA GLU A 36 6.183 -34.011 -3.545 1.00 0.00 C ATOM 569 C GLU A 36 5.373 -35.285 -3.883 1.00 0.00 C ATOM 570 O GLU A 36 4.255 -35.530 -3.398 1.00 0.00 O ATOM 571 CB GLU A 36 6.425 -33.160 -4.826 1.00 0.00 C ATOM 572 CG GLU A 36 7.078 -31.771 -4.551 1.00 0.00 C ATOM 573 CD GLU A 36 7.644 -31.138 -5.827 1.00 0.00 C ATOM 574 OE1 GLU A 36 6.886 -30.519 -6.567 1.00 0.00 O ATOM 575 OE2 GLU A 36 8.852 -31.265 -6.057 1.00 0.00 O ATOM 0 H GLU A 36 8.282 -34.107 -3.548 1.00 0.00 H new ATOM 0 HA GLU A 36 5.601 -33.437 -2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 36 7.064 -33.722 -5.508 1.00 0.00 H new ATOM 0 HB3 GLU A 36 5.473 -33.008 -5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.337 -31.103 -4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 36 7.877 -31.885 -3.818 1.00 0.00 H new ATOM 582 N ARG A 37 6.033 -36.128 -4.692 1.00 0.00 N ATOM 583 CA ARG A 37 5.542 -37.455 -5.030 1.00 0.00 C ATOM 584 C ARG A 37 5.327 -38.315 -3.778 1.00 0.00 C ATOM 585 O ARG A 37 4.256 -38.901 -3.648 1.00 0.00 O ATOM 586 CB ARG A 37 6.506 -38.166 -6.004 1.00 0.00 C ATOM 587 CG ARG A 37 6.519 -37.561 -7.424 1.00 0.00 C ATOM 588 CD ARG A 37 7.254 -38.480 -8.410 1.00 0.00 C ATOM 589 NE ARG A 37 8.693 -38.456 -8.127 1.00 0.00 N ATOM 590 CZ ARG A 37 9.474 -39.489 -7.963 1.00 0.00 C ATOM 591 NH1 ARG A 37 9.108 -40.713 -8.051 1.00 0.00 N ATOM 592 NH2 ARG A 37 10.696 -39.252 -7.709 1.00 0.00 N ATOM 0 H ARG A 37 6.926 -35.898 -5.128 1.00 0.00 H new ATOM 0 HA ARG A 37 4.577 -37.327 -5.520 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.515 -38.127 -5.594 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.229 -39.218 -6.070 1.00 0.00 H new ATOM 0 HG2 ARG A 37 5.496 -37.402 -7.764 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.003 -36.585 -7.402 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.874 -39.498 -8.326 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.069 -38.154 -9.433 1.00 0.00 H new ATOM 0 HE ARG A 37 9.129 -37.537 -8.050 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.137 -40.941 -8.265 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.787 -41.460 -7.907 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.025 -38.289 -7.642 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.348 -40.025 -7.572 1.00 0.00 H new ATOM 606 N ALA A 38 6.283 -38.414 -2.849 1.00 0.00 N ATOM 607 CA ALA A 38 6.107 -39.186 -1.622 1.00 0.00 C ATOM 608 C ALA A 38 5.397 -38.465 -0.450 1.00 0.00 C ATOM 609 O ALA A 38 5.264 -39.025 0.639 1.00 0.00 O ATOM 610 CB ALA A 38 7.440 -39.853 -1.309 1.00 0.00 C ATOM 0 H ALA A 38 7.194 -37.963 -2.928 1.00 0.00 H new ATOM 0 HA ALA A 38 5.359 -39.961 -1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.347 -40.441 -0.396 1.00 0.00 H new ATOM 0 HB2 ALA A 38 7.722 -40.507 -2.134 1.00 0.00 H new ATOM 0 HB3 ALA A 38 8.206 -39.089 -1.173 1.00 0.00 H new ATOM 616 N ALA A 39 4.940 -37.213 -0.614 1.00 0.00 N ATOM 617 CA ALA A 39 3.741 -36.724 0.072 1.00 0.00 C ATOM 618 C ALA A 39 2.451 -37.375 -0.468 1.00 0.00 C ATOM 619 O ALA A 39 1.493 -37.531 0.296 1.00 0.00 O ATOM 620 CB ALA A 39 3.647 -35.189 -0.033 1.00 0.00 C ATOM 0 H ALA A 39 5.386 -36.523 -1.218 1.00 0.00 H new ATOM 0 HA ALA A 39 3.834 -37.008 1.120 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.751 -34.843 0.482 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.526 -34.738 0.427 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.597 -34.898 -1.082 1.00 0.00 H new ATOM 626 N ARG A 40 2.380 -37.704 -1.769 1.00 0.00 N ATOM 627 CA ARG A 40 1.309 -38.572 -2.296 1.00 0.00 C ATOM 628 C ARG A 40 1.499 -40.096 -2.050 1.00 0.00 C ATOM 629 O ARG A 40 0.510 -40.768 -1.752 1.00 0.00 O ATOM 630 CB ARG A 40 1.087 -38.287 -3.803 1.00 0.00 C ATOM 631 CG ARG A 40 0.608 -36.842 -4.083 1.00 0.00 C ATOM 632 CD ARG A 40 0.310 -36.595 -5.569 1.00 0.00 C ATOM 633 NE ARG A 40 -0.873 -37.371 -5.945 1.00 0.00 N ATOM 634 CZ ARG A 40 -1.393 -37.449 -7.137 1.00 0.00 C ATOM 635 NH1 ARG A 40 -0.941 -36.833 -8.164 1.00 0.00 N ATOM 636 NH2 ARG A 40 -2.421 -38.185 -7.294 1.00 0.00 N ATOM 0 H ARG A 40 3.046 -37.385 -2.473 1.00 0.00 H new ATOM 0 HA ARG A 40 0.421 -38.310 -1.720 1.00 0.00 H new ATOM 0 HB2 ARG A 40 2.018 -38.466 -4.342 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.352 -38.990 -4.195 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.290 -36.641 -3.498 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.371 -36.139 -3.748 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.139 -35.534 -5.749 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.164 -36.888 -6.180 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.333 -37.900 -5.204 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.121 -36.233 -8.079 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.401 -36.942 -9.068 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.812 -38.691 -6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.853 -38.268 -8.214 1.00 0.00 H new ATOM 650 N ILE A 41 2.689 -40.708 -2.224 1.00 0.00 N ATOM 651 CA ILE A 41 3.001 -42.097 -1.840 1.00 0.00 C ATOM 652 C ILE A 41 2.932 -42.368 -0.316 1.00 0.00 C ATOM 653 O ILE A 41 3.851 -42.254 0.497 1.00 0.00 O ATOM 654 CB ILE A 41 4.280 -42.686 -2.530 1.00 0.00 C ATOM 655 CG1 ILE A 41 4.131 -42.758 -4.068 1.00 0.00 C ATOM 656 CG2 ILE A 41 4.606 -44.090 -2.098 1.00 0.00 C ATOM 657 CD1 ILE A 41 4.973 -41.674 -4.667 1.00 0.00 C ATOM 0 H ILE A 41 3.484 -40.232 -2.650 1.00 0.00 H new ATOM 0 HA ILE A 41 2.176 -42.674 -2.257 1.00 0.00 H new ATOM 0 HB ILE A 41 5.070 -41.999 -2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.448 -43.734 -4.436 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.087 -42.632 -4.356 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.502 -44.431 -2.616 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.780 -44.109 -1.022 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.773 -44.749 -2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.885 -41.703 -5.753 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.633 -40.705 -4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.015 -41.824 -4.383 1.00 0.00 H new ATOM 669 N LYS A 42 1.692 -42.747 -0.038 1.00 0.00 N ATOM 670 CA LYS A 42 1.133 -43.052 1.284 1.00 0.00 C ATOM 671 C LYS A 42 1.060 -44.552 1.653 1.00 0.00 C ATOM 672 O LYS A 42 0.402 -44.903 2.635 1.00 0.00 O ATOM 673 CB LYS A 42 -0.293 -42.406 1.337 1.00 0.00 C ATOM 674 CG LYS A 42 -0.482 -41.316 2.418 1.00 0.00 C ATOM 675 CD LYS A 42 0.412 -40.088 2.179 1.00 0.00 C ATOM 676 CE LYS A 42 0.035 -38.909 3.065 1.00 0.00 C ATOM 677 NZ LYS A 42 1.009 -37.867 2.775 1.00 0.00 N ATOM 0 H LYS A 42 0.998 -42.859 -0.777 1.00 0.00 H new ATOM 0 HA LYS A 42 1.815 -42.639 2.027 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.514 -41.971 0.362 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.026 -43.195 1.507 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -1.526 -41.003 2.435 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.259 -41.738 3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.452 -40.359 2.363 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.341 -39.789 1.133 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -0.978 -38.568 2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 42 0.062 -39.187 4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.813 -37.034 3.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.966 -38.220 2.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.945 -37.601 1.772 1.00 0.00 H new ATOM 691 N ILE A 43 1.728 -45.451 0.914 1.00 0.00 N ATOM 692 CA ILE A 43 1.567 -46.911 1.047 1.00 0.00 C ATOM 693 C ILE A 43 2.029 -47.469 2.416 1.00 0.00 C ATOM 694 O ILE A 43 1.389 -48.373 2.958 1.00 0.00 O ATOM 695 CB ILE A 43 2.261 -47.621 -0.172 1.00 0.00 C ATOM 696 CG1 ILE A 43 1.753 -47.143 -1.570 1.00 0.00 C ATOM 697 CG2 ILE A 43 2.220 -49.171 -0.118 1.00 0.00 C ATOM 698 CD1 ILE A 43 0.246 -47.340 -1.875 1.00 0.00 C ATOM 0 H ILE A 43 2.404 -45.184 0.198 1.00 0.00 H new ATOM 0 HA ILE A 43 0.500 -47.135 1.024 1.00 0.00 H new ATOM 0 HB ILE A 43 3.298 -47.305 -0.061 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.983 -46.082 -1.670 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.325 -47.667 -2.336 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.721 -49.579 -0.996 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.727 -49.517 0.783 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.183 -49.507 -0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.025 -46.967 -2.875 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.001 -48.400 -1.820 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.348 -46.791 -1.144 1.00 0.00 H new ATOM 710 N GLY A 44 3.111 -46.940 3.006 1.00 0.00 N ATOM 711 CA GLY A 44 3.529 -47.306 4.367 1.00 0.00 C ATOM 712 C GLY A 44 4.744 -46.520 4.906 1.00 0.00 C ATOM 713 O GLY A 44 5.489 -45.973 4.086 1.00 0.00 O ATOM 0 H GLY A 44 3.716 -46.252 2.558 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.688 -47.155 5.043 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.765 -48.370 4.385 1.00 0.00 H new ATOM 717 N PRO A 45 5.012 -46.434 6.237 1.00 0.00 N ATOM 718 CA PRO A 45 6.204 -45.778 6.820 1.00 0.00 C ATOM 719 C PRO A 45 7.563 -46.245 6.256 1.00 0.00 C ATOM 720 O PRO A 45 8.395 -45.431 5.842 1.00 0.00 O ATOM 721 CB PRO A 45 6.093 -46.103 8.321 1.00 0.00 C ATOM 722 CG PRO A 45 4.596 -46.130 8.530 1.00 0.00 C ATOM 723 CD PRO A 45 4.107 -46.890 7.301 1.00 0.00 C ATOM 0 HA PRO A 45 6.201 -44.715 6.580 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.556 -47.059 8.566 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.577 -45.347 8.939 1.00 0.00 H new ATOM 0 HG2 PRO A 45 4.324 -46.637 9.456 1.00 0.00 H new ATOM 0 HG3 PRO A 45 4.175 -45.126 8.581 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.167 -47.969 7.445 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.067 -46.657 7.072 1.00 0.00 H new ATOM 731 N LYS A 46 7.767 -47.568 6.201 1.00 0.00 N ATOM 732 CA LYS A 46 8.984 -48.172 5.656 1.00 0.00 C ATOM 733 C LYS A 46 9.052 -48.083 4.109 1.00 0.00 C ATOM 734 O LYS A 46 10.138 -48.169 3.529 1.00 0.00 O ATOM 735 CB LYS A 46 9.098 -49.615 6.224 1.00 0.00 C ATOM 736 CG LYS A 46 10.564 -50.082 6.405 1.00 0.00 C ATOM 737 CD LYS A 46 10.671 -51.273 7.389 1.00 0.00 C ATOM 738 CE LYS A 46 12.120 -51.692 7.691 1.00 0.00 C ATOM 739 NZ LYS A 46 12.609 -52.540 6.612 1.00 0.00 N ATOM 0 H LYS A 46 7.087 -48.250 6.536 1.00 0.00 H new ATOM 0 HA LYS A 46 9.861 -47.609 5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 46 8.586 -49.662 7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.583 -50.304 5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.975 -50.371 5.438 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.167 -49.252 6.772 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.176 -51.008 8.323 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.134 -52.126 6.974 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.753 -50.810 7.791 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.166 -52.227 8.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.589 -52.826 6.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.010 -53.387 6.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.578 -52.014 5.716 1.00 0.00 H new ATOM 753 N CYS A 47 7.901 -47.851 3.446 1.00 0.00 N ATOM 754 CA CYS A 47 7.826 -47.510 2.022 1.00 0.00 C ATOM 755 C CYS A 47 8.388 -46.093 1.791 1.00 0.00 C ATOM 756 O CYS A 47 9.314 -45.956 0.987 1.00 0.00 O ATOM 757 CB CYS A 47 6.357 -47.598 1.501 1.00 0.00 C ATOM 758 SG CYS A 47 6.113 -48.443 -0.085 1.00 0.00 S ATOM 0 H CYS A 47 6.987 -47.897 3.897 1.00 0.00 H new ATOM 0 HA CYS A 47 8.426 -48.230 1.465 1.00 0.00 H new ATOM 0 HB2 CYS A 47 5.757 -48.107 2.255 1.00 0.00 H new ATOM 0 HB3 CYS A 47 5.965 -46.585 1.412 1.00 0.00 H new ATOM 763 N VAL A 48 7.871 -45.042 2.468 1.00 0.00 N ATOM 764 CA VAL A 48 8.492 -43.706 2.448 1.00 0.00 C ATOM 765 C VAL A 48 9.989 -43.686 2.809 1.00 0.00 C ATOM 766 O VAL A 48 10.748 -42.935 2.194 1.00 0.00 O ATOM 767 CB VAL A 48 7.752 -42.607 3.293 1.00 0.00 C ATOM 768 CG1 VAL A 48 7.304 -41.489 2.371 1.00 0.00 C ATOM 769 CG2 VAL A 48 6.507 -43.042 4.054 1.00 0.00 C ATOM 0 H VAL A 48 7.024 -45.098 3.034 1.00 0.00 H new ATOM 0 HA VAL A 48 8.385 -43.445 1.395 1.00 0.00 H new ATOM 0 HB VAL A 48 8.494 -42.321 4.039 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.790 -40.723 2.951 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.174 -41.051 1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.626 -41.889 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.095 -42.190 4.594 1.00 0.00 H new ATOM 0 HG22 VAL A 48 5.764 -43.420 3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.769 -43.828 4.762 1.00 0.00 H new ATOM 779 N LYS A 49 10.426 -44.486 3.795 1.00 0.00 N ATOM 780 CA LYS A 49 11.859 -44.661 4.086 1.00 0.00 C ATOM 781 C LYS A 49 12.674 -45.310 2.937 1.00 0.00 C ATOM 782 O LYS A 49 13.697 -44.728 2.564 1.00 0.00 O ATOM 783 CB LYS A 49 12.068 -45.398 5.429 1.00 0.00 C ATOM 784 CG LYS A 49 11.531 -44.614 6.644 1.00 0.00 C ATOM 785 CD LYS A 49 11.780 -45.377 7.958 1.00 0.00 C ATOM 786 CE LYS A 49 11.208 -44.614 9.149 1.00 0.00 C ATOM 787 NZ LYS A 49 11.477 -45.396 10.346 1.00 0.00 N ATOM 0 H LYS A 49 9.808 -45.022 4.404 1.00 0.00 H new ATOM 0 HA LYS A 49 12.265 -43.653 4.177 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.574 -46.368 5.384 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.132 -45.589 5.569 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.013 -43.638 6.691 1.00 0.00 H new ATOM 0 HG3 LYS A 49 10.463 -44.436 6.521 1.00 0.00 H new ATOM 0 HD2 LYS A 49 11.324 -46.365 7.901 1.00 0.00 H new ATOM 0 HD3 LYS A 49 12.850 -45.528 8.098 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.665 -43.627 9.226 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.136 -44.460 9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 11.098 -44.900 11.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.022 -46.328 10.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 12.504 -45.520 10.456 1.00 0.00 H new ATOM 801 N ALA A 50 12.277 -46.463 2.350 1.00 0.00 N ATOM 802 CA ALA A 50 12.868 -47.021 1.110 1.00 0.00 C ATOM 803 C ALA A 50 12.906 -45.948 -0.010 1.00 0.00 C ATOM 804 O ALA A 50 13.967 -45.699 -0.587 1.00 0.00 O ATOM 805 CB ALA A 50 12.037 -48.267 0.707 1.00 0.00 C ATOM 0 H ALA A 50 11.527 -47.040 2.729 1.00 0.00 H new ATOM 0 HA ALA A 50 13.903 -47.322 1.275 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.449 -48.700 -0.204 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.075 -49.005 1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.002 -47.973 0.533 1.00 0.00 H new ATOM 811 N PHE A 51 11.775 -45.244 -0.219 1.00 0.00 N ATOM 812 CA PHE A 51 11.632 -44.127 -1.166 1.00 0.00 C ATOM 813 C PHE A 51 12.671 -43.010 -0.932 1.00 0.00 C ATOM 814 O PHE A 51 13.432 -42.682 -1.845 1.00 0.00 O ATOM 815 CB PHE A 51 10.182 -43.556 -1.002 1.00 0.00 C ATOM 816 CG PHE A 51 9.629 -42.832 -2.238 1.00 0.00 C ATOM 817 CD1 PHE A 51 10.186 -41.669 -2.746 1.00 0.00 C ATOM 818 CD2 PHE A 51 8.570 -43.372 -2.946 1.00 0.00 C ATOM 819 CE1 PHE A 51 9.727 -41.108 -3.925 1.00 0.00 C ATOM 820 CE2 PHE A 51 8.113 -42.816 -4.103 1.00 0.00 C ATOM 821 CZ PHE A 51 8.690 -41.682 -4.613 1.00 0.00 C ATOM 0 H PHE A 51 10.911 -45.446 0.284 1.00 0.00 H new ATOM 0 HA PHE A 51 11.806 -44.496 -2.177 1.00 0.00 H new ATOM 0 HB2 PHE A 51 9.511 -44.376 -0.749 1.00 0.00 H new ATOM 0 HB3 PHE A 51 10.173 -42.865 -0.159 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.994 -41.191 -2.212 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.090 -44.263 -2.569 1.00 0.00 H new ATOM 0 HE1 PHE A 51 10.190 -40.210 -4.306 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.286 -43.274 -4.625 1.00 0.00 H new ATOM 0 HZ PHE A 51 8.335 -41.250 -5.537 1.00 0.00 H new ATOM 831 N LYS A 52 12.709 -42.432 0.279 1.00 0.00 N ATOM 832 CA LYS A 52 13.614 -41.335 0.624 1.00 0.00 C ATOM 833 C LYS A 52 15.114 -41.725 0.610 1.00 0.00 C ATOM 834 O LYS A 52 15.948 -40.916 0.186 1.00 0.00 O ATOM 835 CB LYS A 52 13.155 -40.730 1.984 1.00 0.00 C ATOM 836 CG LYS A 52 13.952 -39.527 2.554 1.00 0.00 C ATOM 837 CD LYS A 52 14.022 -38.296 1.622 1.00 0.00 C ATOM 838 CE LYS A 52 14.754 -37.142 2.304 1.00 0.00 C ATOM 839 NZ LYS A 52 15.145 -36.183 1.278 1.00 0.00 N ATOM 0 H LYS A 52 12.105 -42.719 1.050 1.00 0.00 H new ATOM 0 HA LYS A 52 13.546 -40.575 -0.155 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.115 -40.421 1.878 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.176 -41.527 2.728 1.00 0.00 H new ATOM 0 HG2 LYS A 52 13.500 -39.225 3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.967 -39.855 2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.535 -38.562 0.698 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.014 -37.983 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.109 -36.667 3.043 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.632 -37.509 2.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.705 -35.421 1.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 15.716 -36.663 0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 14.294 -35.780 0.837 1.00 0.00 H new ATOM 853 N ASP A 53 15.508 -42.941 1.030 1.00 0.00 N ATOM 854 CA ASP A 53 16.909 -43.372 0.937 1.00 0.00 C ATOM 855 C ASP A 53 17.378 -43.657 -0.511 1.00 0.00 C ATOM 856 O ASP A 53 18.486 -43.249 -0.901 1.00 0.00 O ATOM 857 CB ASP A 53 17.162 -44.532 1.933 1.00 0.00 C ATOM 858 CG ASP A 53 17.188 -44.005 3.368 1.00 0.00 C ATOM 859 OD1 ASP A 53 18.128 -43.291 3.711 1.00 0.00 O ATOM 860 OD2 ASP A 53 16.292 -44.324 4.140 1.00 0.00 O ATOM 0 H ASP A 53 14.879 -43.635 1.434 1.00 0.00 H new ATOM 0 HA ASP A 53 17.545 -42.539 1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 53 16.381 -45.286 1.830 1.00 0.00 H new ATOM 0 HB3 ASP A 53 18.109 -45.020 1.701 1.00 0.00 H new ATOM 865 N CYS A 54 16.556 -44.326 -1.336 1.00 0.00 N ATOM 866 CA CYS A 54 16.785 -44.362 -2.784 1.00 0.00 C ATOM 867 C CYS A 54 16.741 -42.970 -3.463 1.00 0.00 C ATOM 868 O CYS A 54 17.464 -42.771 -4.442 1.00 0.00 O ATOM 869 CB CYS A 54 15.802 -45.335 -3.450 1.00 0.00 C ATOM 870 SG CYS A 54 16.308 -47.076 -3.584 1.00 0.00 S ATOM 0 H CYS A 54 15.734 -44.844 -1.025 1.00 0.00 H new ATOM 0 HA CYS A 54 17.805 -44.719 -2.927 1.00 0.00 H new ATOM 0 HB2 CYS A 54 14.864 -45.299 -2.895 1.00 0.00 H new ATOM 0 HB3 CYS A 54 15.593 -44.967 -4.454 1.00 0.00 H new ATOM 875 N CYS A 55 15.927 -42.006 -2.992 1.00 0.00 N ATOM 876 CA CYS A 55 16.027 -40.590 -3.387 1.00 0.00 C ATOM 877 C CYS A 55 17.391 -39.948 -3.053 1.00 0.00 C ATOM 878 O CYS A 55 17.904 -39.184 -3.877 1.00 0.00 O ATOM 879 CB CYS A 55 14.889 -39.784 -2.733 1.00 0.00 C ATOM 880 SG CYS A 55 14.821 -38.027 -3.177 1.00 0.00 S ATOM 0 H CYS A 55 15.179 -42.190 -2.324 1.00 0.00 H new ATOM 0 HA CYS A 55 15.935 -40.564 -4.473 1.00 0.00 H new ATOM 0 HB2 CYS A 55 13.939 -40.246 -3.002 1.00 0.00 H new ATOM 0 HB3 CYS A 55 14.987 -39.864 -1.650 1.00 0.00 H new ATOM 885 N TYR A 56 17.984 -40.217 -1.874 1.00 0.00 N ATOM 886 CA TYR A 56 19.388 -39.873 -1.602 1.00 0.00 C ATOM 887 C TYR A 56 20.352 -40.441 -2.659 1.00 0.00 C ATOM 888 O TYR A 56 21.165 -39.676 -3.183 1.00 0.00 O ATOM 889 CB TYR A 56 19.839 -40.337 -0.190 1.00 0.00 C ATOM 890 CG TYR A 56 19.522 -39.298 0.892 1.00 0.00 C ATOM 891 CD1 TYR A 56 20.333 -38.187 1.065 1.00 0.00 C ATOM 892 CD2 TYR A 56 18.467 -39.456 1.771 1.00 0.00 C ATOM 893 CE1 TYR A 56 20.105 -37.273 2.076 1.00 0.00 C ATOM 894 CE2 TYR A 56 18.237 -38.552 2.787 1.00 0.00 C ATOM 895 CZ TYR A 56 19.053 -37.462 2.938 1.00 0.00 C ATOM 896 OH TYR A 56 18.808 -36.579 3.939 1.00 0.00 O ATOM 0 H TYR A 56 17.509 -40.673 -1.095 1.00 0.00 H new ATOM 0 HA TYR A 56 19.434 -38.785 -1.647 1.00 0.00 H new ATOM 0 HB2 TYR A 56 19.345 -41.277 0.056 1.00 0.00 H new ATOM 0 HB3 TYR A 56 20.911 -40.533 -0.200 1.00 0.00 H new ATOM 0 HD1 TYR A 56 21.164 -38.032 0.393 1.00 0.00 H new ATOM 0 HD2 TYR A 56 17.809 -40.305 1.660 1.00 0.00 H new ATOM 0 HE1 TYR A 56 20.751 -36.415 2.188 1.00 0.00 H new ATOM 0 HE2 TYR A 56 17.411 -38.704 3.466 1.00 0.00 H new ATOM 0 HH TYR A 56 18.024 -36.872 4.449 1.00 0.00 H new ATOM 906 N ILE A 57 20.245 -41.738 -3.004 1.00 0.00 N ATOM 907 CA ILE A 57 21.025 -42.319 -4.120 1.00 0.00 C ATOM 908 C ILE A 57 20.768 -41.624 -5.469 1.00 0.00 C ATOM 909 O ILE A 57 21.720 -41.272 -6.171 1.00 0.00 O ATOM 910 CB ILE A 57 20.798 -43.866 -4.237 1.00 0.00 C ATOM 911 CG1 ILE A 57 21.098 -44.627 -2.925 1.00 0.00 C ATOM 912 CG2 ILE A 57 21.564 -44.549 -5.403 1.00 0.00 C ATOM 913 CD1 ILE A 57 22.441 -44.275 -2.256 1.00 0.00 C ATOM 0 H ILE A 57 19.631 -42.402 -2.532 1.00 0.00 H new ATOM 0 HA ILE A 57 22.072 -42.141 -3.874 1.00 0.00 H new ATOM 0 HB ILE A 57 19.733 -43.936 -4.458 1.00 0.00 H new ATOM 0 HG12 ILE A 57 20.294 -44.428 -2.216 1.00 0.00 H new ATOM 0 HG13 ILE A 57 21.083 -45.697 -3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 57 21.346 -45.617 -5.405 1.00 0.00 H new ATOM 0 HG22 ILE A 57 21.249 -44.112 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 57 22.636 -44.398 -5.273 1.00 0.00 H new ATOM 0 HD11 ILE A 57 22.558 -44.861 -1.344 1.00 0.00 H new ATOM 0 HD12 ILE A 57 23.259 -44.502 -2.940 1.00 0.00 H new ATOM 0 HD13 ILE A 57 22.458 -43.213 -2.010 1.00 0.00 H new ATOM 925 N ALA A 58 19.491 -41.412 -5.808 1.00 0.00 N ATOM 926 CA ALA A 58 19.075 -40.645 -6.991 1.00 0.00 C ATOM 927 C ALA A 58 19.695 -39.232 -7.050 1.00 0.00 C ATOM 928 O ALA A 58 20.277 -38.865 -8.074 1.00 0.00 O ATOM 929 CB ALA A 58 17.544 -40.551 -7.041 1.00 0.00 C ATOM 0 H ALA A 58 18.707 -41.772 -5.263 1.00 0.00 H new ATOM 0 HA ALA A 58 19.447 -41.184 -7.862 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.243 -39.981 -7.920 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.120 -41.553 -7.095 1.00 0.00 H new ATOM 0 HB3 ALA A 58 17.181 -40.051 -6.143 1.00 0.00 H new ATOM 935 N ASN A 59 19.614 -38.453 -5.957 1.00 0.00 N ATOM 936 CA ASN A 59 20.233 -37.126 -5.865 1.00 0.00 C ATOM 937 C ASN A 59 21.778 -37.172 -5.925 1.00 0.00 C ATOM 938 O ASN A 59 22.375 -36.250 -6.486 1.00 0.00 O ATOM 939 CB ASN A 59 19.742 -36.422 -4.566 1.00 0.00 C ATOM 940 CG ASN A 59 19.783 -34.896 -4.682 1.00 0.00 C ATOM 941 OD1 ASN A 59 18.752 -34.234 -4.609 1.00 0.00 O ATOM 942 ND2 ASN A 59 20.925 -34.258 -4.861 1.00 0.00 N ATOM 0 H ASN A 59 19.115 -38.730 -5.112 1.00 0.00 H new ATOM 0 HA ASN A 59 19.922 -36.552 -6.738 1.00 0.00 H new ATOM 0 HB2 ASN A 59 18.723 -36.740 -4.346 1.00 0.00 H new ATOM 0 HB3 ASN A 59 20.363 -36.737 -3.727 1.00 0.00 H new ATOM 0 HD21 ASN A 59 20.935 -33.241 -4.935 1.00 0.00 H new ATOM 0 HD22 ASN A 59 21.798 -34.782 -4.925 1.00 0.00 H new ATOM 949 N GLN A 60 22.440 -38.189 -5.345 1.00 0.00 N ATOM 950 CA GLN A 60 23.883 -38.410 -5.516 1.00 0.00 C ATOM 951 C GLN A 60 24.280 -38.794 -6.957 1.00 0.00 C ATOM 952 O GLN A 60 25.308 -38.317 -7.442 1.00 0.00 O ATOM 953 CB GLN A 60 24.392 -39.483 -4.521 1.00 0.00 C ATOM 954 CG GLN A 60 24.347 -39.008 -3.045 1.00 0.00 C ATOM 955 CD GLN A 60 24.774 -40.122 -2.088 1.00 0.00 C ATOM 956 OE1 GLN A 60 23.959 -40.746 -1.421 1.00 0.00 O ATOM 957 NE2 GLN A 60 26.052 -40.422 -1.966 1.00 0.00 N ATOM 0 H GLN A 60 21.988 -38.879 -4.745 1.00 0.00 H new ATOM 0 HA GLN A 60 24.362 -37.454 -5.304 1.00 0.00 H new ATOM 0 HB2 GLN A 60 23.788 -40.384 -4.626 1.00 0.00 H new ATOM 0 HB3 GLN A 60 25.416 -39.754 -4.779 1.00 0.00 H new ATOM 0 HG2 GLN A 60 25.002 -38.146 -2.918 1.00 0.00 H new ATOM 0 HG3 GLN A 60 23.337 -38.680 -2.797 1.00 0.00 H new ATOM 0 HE21 GLN A 60 26.749 -39.915 -2.512 1.00 0.00 H new ATOM 0 HE22 GLN A 60 26.344 -41.161 -1.326 1.00 0.00 H new ATOM 966 N VAL A 61 23.505 -39.651 -7.645 1.00 0.00 N ATOM 967 CA VAL A 61 23.705 -39.938 -9.074 1.00 0.00 C ATOM 968 C VAL A 61 23.461 -38.696 -9.958 1.00 0.00 C ATOM 969 O VAL A 61 24.364 -38.323 -10.709 1.00 0.00 O ATOM 970 CB VAL A 61 22.856 -41.173 -9.528 1.00 0.00 C ATOM 971 CG1 VAL A 61 22.927 -41.474 -11.044 1.00 0.00 C ATOM 972 CG2 VAL A 61 23.322 -42.456 -8.809 1.00 0.00 C ATOM 0 H VAL A 61 22.727 -40.161 -7.227 1.00 0.00 H new ATOM 0 HA VAL A 61 24.754 -40.202 -9.210 1.00 0.00 H new ATOM 0 HB VAL A 61 21.833 -40.900 -9.271 1.00 0.00 H new ATOM 0 HG11 VAL A 61 22.311 -42.344 -11.271 1.00 0.00 H new ATOM 0 HG12 VAL A 61 22.560 -40.613 -11.603 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.960 -41.677 -11.327 1.00 0.00 H new ATOM 0 HG21 VAL A 61 22.717 -43.300 -9.141 1.00 0.00 H new ATOM 0 HG22 VAL A 61 24.369 -42.645 -9.045 1.00 0.00 H new ATOM 0 HG23 VAL A 61 23.210 -42.331 -7.732 1.00 0.00 H new ATOM 982 N ARG A 62 22.308 -38.013 -9.854 1.00 0.00 N ATOM 983 CA ARG A 62 21.969 -36.846 -10.689 1.00 0.00 C ATOM 984 C ARG A 62 22.863 -35.603 -10.469 1.00 0.00 C ATOM 985 O ARG A 62 22.862 -34.694 -11.300 1.00 0.00 O ATOM 986 CB ARG A 62 20.460 -36.483 -10.527 1.00 0.00 C ATOM 987 CG ARG A 62 19.445 -37.302 -11.383 1.00 0.00 C ATOM 988 CD ARG A 62 19.545 -38.824 -11.221 1.00 0.00 C ATOM 989 NE ARG A 62 18.236 -39.433 -11.441 1.00 0.00 N ATOM 990 CZ ARG A 62 17.901 -40.634 -11.069 1.00 0.00 C ATOM 991 NH1 ARG A 62 18.706 -41.519 -10.615 1.00 0.00 N ATOM 992 NH2 ARG A 62 16.680 -40.964 -11.161 1.00 0.00 N ATOM 0 H ARG A 62 21.579 -38.257 -9.183 1.00 0.00 H new ATOM 0 HA ARG A 62 22.170 -37.155 -11.715 1.00 0.00 H new ATOM 0 HB2 ARG A 62 20.193 -36.602 -9.477 1.00 0.00 H new ATOM 0 HB3 ARG A 62 20.336 -35.428 -10.770 1.00 0.00 H new ATOM 0 HG2 ARG A 62 18.435 -36.989 -11.120 1.00 0.00 H new ATOM 0 HG3 ARG A 62 19.593 -37.052 -12.434 1.00 0.00 H new ATOM 0 HD2 ARG A 62 20.268 -39.228 -11.930 1.00 0.00 H new ATOM 0 HD3 ARG A 62 19.907 -39.069 -10.223 1.00 0.00 H new ATOM 0 HE ARG A 62 17.531 -38.875 -11.923 1.00 0.00 H new ATOM 0 HH11 ARG A 62 19.699 -41.305 -10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.355 -42.438 -10.346 1.00 0.00 H new ATOM 0 HH21 ARG A 62 15.997 -40.296 -11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.381 -41.897 -10.878 1.00 0.00 H new ATOM 1006 N ALA A 63 23.612 -35.528 -9.357 1.00 0.00 N ATOM 1007 CA ALA A 63 24.696 -34.558 -9.177 1.00 0.00 C ATOM 1008 C ALA A 63 25.923 -34.813 -10.083 1.00 0.00 C ATOM 1009 O ALA A 63 26.635 -33.871 -10.438 1.00 0.00 O ATOM 1010 CB ALA A 63 25.111 -34.582 -7.693 1.00 0.00 C ATOM 0 H ALA A 63 23.479 -36.144 -8.555 1.00 0.00 H new ATOM 0 HA ALA A 63 24.320 -33.578 -9.473 1.00 0.00 H new ATOM 0 HB1 ALA A 63 25.918 -33.868 -7.529 1.00 0.00 H new ATOM 0 HB2 ALA A 63 24.257 -34.313 -7.072 1.00 0.00 H new ATOM 0 HB3 ALA A 63 25.452 -35.582 -7.427 1.00 0.00 H new ATOM 1016 N GLU A 64 26.190 -36.072 -10.463 1.00 0.00 N ATOM 1017 CA GLU A 64 27.305 -36.428 -11.349 1.00 0.00 C ATOM 1018 C GLU A 64 26.869 -36.964 -12.731 1.00 0.00 C ATOM 1019 O GLU A 64 27.490 -36.627 -13.738 1.00 0.00 O ATOM 1020 CB GLU A 64 28.281 -37.417 -10.644 1.00 0.00 C ATOM 1021 CG GLU A 64 27.600 -38.672 -10.008 1.00 0.00 C ATOM 1022 CD GLU A 64 28.566 -39.830 -9.768 1.00 0.00 C ATOM 1023 OE1 GLU A 64 29.257 -39.832 -8.754 1.00 0.00 O ATOM 1024 OE2 GLU A 64 28.590 -40.731 -10.607 1.00 0.00 O ATOM 0 H GLU A 64 25.635 -36.874 -10.162 1.00 0.00 H new ATOM 0 HA GLU A 64 27.830 -35.495 -11.553 1.00 0.00 H new ATOM 0 HB2 GLU A 64 29.022 -37.752 -11.369 1.00 0.00 H new ATOM 0 HB3 GLU A 64 28.819 -36.879 -9.864 1.00 0.00 H new ATOM 0 HG2 GLU A 64 27.143 -38.387 -9.060 1.00 0.00 H new ATOM 0 HG3 GLU A 64 26.795 -39.009 -10.661 1.00 0.00 H new