USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 593 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 Single : A 12 SER OG : rot -109:sc= 1.25 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 GLN : amide:sc= -0.0567 X(o=-0.057,f=-0.057) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 175:sc= -0.926 (180deg=-1.07) USER MOD Single : A 27 GLN : amide:sc= -0.0272 X(o=-0.027,f=-0.33) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.88) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= -0.0643 USER MOD Single : A 42 GLN : amide:sc= -2.93! C(o=-2.9!,f=-2.2!) USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 46 GLN : amide:sc= -0.0281 K(o=-0.028,f=-1.6!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -169:sc=-0.00313 (180deg=-0.127) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -0.604 K(o=-0.6,f=-1.5!) USER MOD Single : A 60 LYS NZ :NH3+ 157:sc= -0.135 (180deg=-0.617) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -1.03 X(o=-1,f=-0.6) USER MOD Single : A 64 SER OG : rot 91:sc= 0.0464 USER MOD Single : A 68 LYS NZ :NH3+ -162:sc= -0.0273 (180deg=-0.222) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.989 USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -130:sc= 0.255 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.00758) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.59) USER MOD ----------------------------------------------------------------- ATOM 119 N SER A 12 -6.327 20.382 6.220 1.00 0.00 N ATOM 120 CA SER A 12 -6.593 19.967 4.848 1.00 0.00 C ATOM 121 C SER A 12 -7.263 18.597 4.814 1.00 0.00 C ATOM 122 O SER A 12 -7.039 17.747 5.677 1.00 0.00 O ATOM 123 CB SER A 12 -5.293 19.932 4.042 1.00 0.00 C ATOM 124 OG SER A 12 -4.701 21.217 3.972 1.00 0.00 O ATOM 0 HA SER A 12 -7.270 20.694 4.400 1.00 0.00 H new ATOM 0 HB2 SER A 12 -4.596 19.232 4.501 1.00 0.00 H new ATOM 0 HB3 SER A 12 -5.495 19.566 3.035 1.00 0.00 H new ATOM 0 HG SER A 12 -4.788 21.568 3.061 1.00 0.00 H new ATOM 130 N PRO A 13 -8.106 18.376 3.795 1.00 0.00 N ATOM 131 CA PRO A 13 -8.826 17.111 3.623 1.00 0.00 C ATOM 132 C PRO A 13 -7.900 15.965 3.233 1.00 0.00 C ATOM 133 O PRO A 13 -8.104 14.823 3.642 1.00 0.00 O ATOM 134 CB PRO A 13 -9.809 17.414 2.489 1.00 0.00 C ATOM 135 CG PRO A 13 -9.173 18.522 1.722 1.00 0.00 C ATOM 136 CD PRO A 13 -8.421 19.345 2.731 1.00 0.00 C ATOM 0 HA PRO A 13 -9.306 16.786 4.546 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -9.970 16.538 1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -10.783 17.710 2.878 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.501 18.132 0.958 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.924 19.123 1.210 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.518 19.779 2.303 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.025 20.171 3.106 1.00 0.00 H new ATOM 144 N ASN A 14 -6.880 16.278 2.441 1.00 0.00 N ATOM 145 CA ASN A 14 -5.921 15.273 1.996 1.00 0.00 C ATOM 146 C ASN A 14 -5.087 14.760 3.166 1.00 0.00 C ATOM 147 O ASN A 14 -4.694 13.594 3.199 1.00 0.00 O ATOM 148 CB ASN A 14 -5.004 15.854 0.918 1.00 0.00 C ATOM 149 CG ASN A 14 -5.716 16.039 -0.409 1.00 0.00 C ATOM 150 OD1 ASN A 14 -6.370 17.057 -0.639 1.00 0.00 O ATOM 151 ND2 ASN A 14 -5.592 15.052 -1.289 1.00 0.00 N ATOM 0 H ASN A 14 -6.696 17.219 2.094 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.479 14.436 1.576 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -4.615 16.815 1.255 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -4.148 15.194 0.779 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.049 15.119 -2.199 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.040 14.227 -1.055 1.00 0.00 H new ATOM 158 N LEU A 15 -4.821 15.640 4.125 1.00 0.00 N ATOM 159 CA LEU A 15 -4.034 15.278 5.299 1.00 0.00 C ATOM 160 C LEU A 15 -4.880 14.500 6.303 1.00 0.00 C ATOM 161 O LEU A 15 -4.460 13.460 6.807 1.00 0.00 O ATOM 162 CB LEU A 15 -3.462 16.532 5.961 1.00 0.00 C ATOM 163 CG LEU A 15 -2.753 16.321 7.299 1.00 0.00 C ATOM 164 CD1 LEU A 15 -1.485 15.503 7.108 1.00 0.00 C ATOM 165 CD2 LEU A 15 -2.433 17.659 7.950 1.00 0.00 C ATOM 0 H LEU A 15 -5.139 16.609 4.113 1.00 0.00 H new ATOM 0 HA LEU A 15 -3.212 14.640 4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.759 16.995 5.269 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.275 17.242 6.112 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.422 15.769 7.959 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.994 15.363 8.071 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.739 14.531 6.686 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.812 16.028 6.430 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.929 17.489 8.901 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.783 18.237 7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.358 18.210 8.123 1.00 0.00 H new ATOM 177 N GLN A 16 -6.074 15.012 6.585 1.00 0.00 N ATOM 178 CA GLN A 16 -6.979 14.365 7.527 1.00 0.00 C ATOM 179 C GLN A 16 -7.191 12.900 7.159 1.00 0.00 C ATOM 180 O GLN A 16 -7.282 12.036 8.032 1.00 0.00 O ATOM 181 CB GLN A 16 -8.323 15.094 7.559 1.00 0.00 C ATOM 182 CG GLN A 16 -9.343 14.450 8.484 1.00 0.00 C ATOM 183 CD GLN A 16 -8.857 14.359 9.916 1.00 0.00 C ATOM 184 OE1 GLN A 16 -8.577 15.374 10.555 1.00 0.00 O ATOM 185 NE2 GLN A 16 -8.753 13.139 10.431 1.00 0.00 N ATOM 0 H GLN A 16 -6.437 15.873 6.175 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.525 14.411 8.517 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -8.160 16.125 7.873 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -8.732 15.129 6.549 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -10.268 15.025 8.454 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -9.577 13.450 8.120 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -8.995 12.325 9.867 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -8.431 13.016 11.391 1.00 0.00 H new ATOM 194 N LYS A 17 -7.269 12.626 5.861 1.00 0.00 N ATOM 195 CA LYS A 17 -7.469 11.266 5.376 1.00 0.00 C ATOM 196 C LYS A 17 -6.252 10.396 5.677 1.00 0.00 C ATOM 197 O LYS A 17 -6.382 9.200 5.935 1.00 0.00 O ATOM 198 CB LYS A 17 -7.742 11.274 3.870 1.00 0.00 C ATOM 199 CG LYS A 17 -7.902 9.887 3.273 1.00 0.00 C ATOM 200 CD LYS A 17 -8.814 9.905 2.057 1.00 0.00 C ATOM 201 CE LYS A 17 -9.492 8.559 1.850 1.00 0.00 C ATOM 202 NZ LYS A 17 -10.739 8.437 2.656 1.00 0.00 N ATOM 0 H LYS A 17 -7.197 13.329 5.126 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.332 10.846 5.894 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.647 11.850 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.924 11.786 3.364 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.924 9.497 2.990 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -8.310 9.211 4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -9.571 10.680 2.180 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -8.235 10.162 1.170 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -9.728 8.430 0.794 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.803 7.759 2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -11.172 7.506 2.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.511 8.535 3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.407 9.184 2.378 1.00 0.00 H new ATOM 216 N ALA A 18 -5.072 11.006 5.644 1.00 0.00 N ATOM 217 CA ALA A 18 -3.833 10.288 5.918 1.00 0.00 C ATOM 218 C ALA A 18 -3.782 9.814 7.366 1.00 0.00 C ATOM 219 O ALA A 18 -3.434 8.665 7.641 1.00 0.00 O ATOM 220 CB ALA A 18 -2.633 11.168 5.605 1.00 0.00 C ATOM 0 H ALA A 18 -4.948 11.996 5.430 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.802 9.409 5.275 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.715 10.619 5.814 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -2.654 11.452 4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.668 12.065 6.223 1.00 0.00 H new ATOM 226 N ILE A 19 -4.129 10.705 8.288 1.00 0.00 N ATOM 227 CA ILE A 19 -4.122 10.377 9.708 1.00 0.00 C ATOM 228 C ILE A 19 -5.127 9.274 10.022 1.00 0.00 C ATOM 229 O ILE A 19 -4.777 8.248 10.606 1.00 0.00 O ATOM 230 CB ILE A 19 -4.444 11.610 10.573 1.00 0.00 C ATOM 231 CG1 ILE A 19 -3.343 12.663 10.426 1.00 0.00 C ATOM 232 CG2 ILE A 19 -4.608 11.207 12.031 1.00 0.00 C ATOM 233 CD1 ILE A 19 -3.586 13.637 9.295 1.00 0.00 C ATOM 0 H ILE A 19 -4.419 11.660 8.077 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.117 10.029 9.946 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.384 12.042 10.229 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.255 13.218 11.360 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.390 12.160 10.263 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.835 12.089 12.629 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.423 10.488 12.120 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.684 10.754 12.389 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.766 14.354 9.250 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.644 13.093 8.352 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.523 14.167 9.466 1.00 0.00 H new ATOM 245 N ASP A 20 -6.378 9.491 9.629 1.00 0.00 N ATOM 246 CA ASP A 20 -7.434 8.514 9.866 1.00 0.00 C ATOM 247 C ASP A 20 -7.052 7.152 9.297 1.00 0.00 C ATOM 248 O ASP A 20 -7.173 6.129 9.973 1.00 0.00 O ATOM 249 CB ASP A 20 -8.747 8.991 9.243 1.00 0.00 C ATOM 250 CG ASP A 20 -9.963 8.451 9.971 1.00 0.00 C ATOM 251 OD1 ASP A 20 -9.935 7.270 10.376 1.00 0.00 O ATOM 252 OD2 ASP A 20 -10.942 9.209 10.135 1.00 0.00 O ATOM 0 H ASP A 20 -6.685 10.335 9.145 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.567 8.413 10.943 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.776 10.081 9.252 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.784 8.680 8.199 1.00 0.00 H new ATOM 257 N LEU A 21 -6.591 7.145 8.051 1.00 0.00 N ATOM 258 CA LEU A 21 -6.192 5.907 7.390 1.00 0.00 C ATOM 259 C LEU A 21 -5.074 5.213 8.162 1.00 0.00 C ATOM 260 O LEU A 21 -5.191 4.044 8.527 1.00 0.00 O ATOM 261 CB LEU A 21 -5.736 6.195 5.958 1.00 0.00 C ATOM 262 CG LEU A 21 -6.843 6.503 4.950 1.00 0.00 C ATOM 263 CD1 LEU A 21 -6.252 7.031 3.653 1.00 0.00 C ATOM 264 CD2 LEU A 21 -7.687 5.264 4.689 1.00 0.00 C ATOM 0 H LEU A 21 -6.484 7.982 7.478 1.00 0.00 H new ATOM 0 HA LEU A 21 -7.056 5.243 7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -5.047 7.040 5.980 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -5.173 5.334 5.597 1.00 0.00 H new ATOM 0 HG LEU A 21 -7.487 7.274 5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.055 7.245 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.693 7.945 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.584 6.283 3.226 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.470 5.502 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.055 4.471 4.289 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.141 4.930 5.622 1.00 0.00 H new ATOM 276 N ALA A 22 -3.991 5.944 8.410 1.00 0.00 N ATOM 277 CA ALA A 22 -2.855 5.400 9.143 1.00 0.00 C ATOM 278 C ALA A 22 -3.281 4.884 10.513 1.00 0.00 C ATOM 279 O ALA A 22 -2.749 3.889 11.005 1.00 0.00 O ATOM 280 CB ALA A 22 -1.767 6.455 9.288 1.00 0.00 C ATOM 0 H ALA A 22 -3.877 6.913 8.114 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.457 4.559 8.576 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.924 6.035 9.837 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.434 6.772 8.300 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.163 7.314 9.831 1.00 0.00 H new ATOM 286 N SER A 23 -4.242 5.568 11.125 1.00 0.00 N ATOM 287 CA SER A 23 -4.737 5.181 12.441 1.00 0.00 C ATOM 288 C SER A 23 -5.471 3.845 12.375 1.00 0.00 C ATOM 289 O SER A 23 -5.288 2.980 13.231 1.00 0.00 O ATOM 290 CB SER A 23 -5.667 6.261 12.997 1.00 0.00 C ATOM 291 OG SER A 23 -5.764 6.173 14.408 1.00 0.00 O ATOM 0 H SER A 23 -4.694 6.393 10.731 1.00 0.00 H new ATOM 0 HA SER A 23 -3.881 5.072 13.106 1.00 0.00 H new ATOM 0 HB2 SER A 23 -5.295 7.246 12.716 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.657 6.156 12.554 1.00 0.00 H new ATOM 0 HG SER A 23 -6.363 6.875 14.739 1.00 0.00 H new ATOM 297 N LYS A 24 -6.302 3.685 11.351 1.00 0.00 N ATOM 298 CA LYS A 24 -7.065 2.455 11.170 1.00 0.00 C ATOM 299 C LYS A 24 -6.134 1.256 11.019 1.00 0.00 C ATOM 300 O LYS A 24 -6.351 0.210 11.630 1.00 0.00 O ATOM 301 CB LYS A 24 -7.970 2.569 9.941 1.00 0.00 C ATOM 302 CG LYS A 24 -9.241 1.742 10.044 1.00 0.00 C ATOM 303 CD LYS A 24 -10.058 1.815 8.765 1.00 0.00 C ATOM 304 CE LYS A 24 -10.909 0.569 8.576 1.00 0.00 C ATOM 305 NZ LYS A 24 -10.113 -0.571 8.042 1.00 0.00 N ATOM 0 H LYS A 24 -6.465 4.391 10.633 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.682 2.305 12.056 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.238 3.615 9.793 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -7.412 2.255 9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.985 0.704 10.254 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.841 2.098 10.881 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.700 2.695 8.792 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.390 1.934 7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -11.355 0.286 9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.730 0.790 7.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.708 -1.423 8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.779 -0.342 7.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.296 -0.744 8.662 1.00 0.00 H new ATOM 319 N ALA A 25 -5.098 1.415 10.202 1.00 0.00 N ATOM 320 CA ALA A 25 -4.134 0.346 9.974 1.00 0.00 C ATOM 321 C ALA A 25 -3.780 -0.361 11.278 1.00 0.00 C ATOM 322 O ALA A 25 -4.020 -1.558 11.430 1.00 0.00 O ATOM 323 CB ALA A 25 -2.879 0.900 9.315 1.00 0.00 C ATOM 0 H ALA A 25 -4.905 2.274 9.687 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.590 -0.385 9.307 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.167 0.091 9.150 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.140 1.354 8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.430 1.652 9.963 1.00 0.00 H new ATOM 329 N ALA A 26 -3.208 0.387 12.216 1.00 0.00 N ATOM 330 CA ALA A 26 -2.823 -0.169 13.507 1.00 0.00 C ATOM 331 C ALA A 26 -3.977 -0.940 14.139 1.00 0.00 C ATOM 332 O ALA A 26 -3.856 -2.130 14.426 1.00 0.00 O ATOM 333 CB ALA A 26 -2.351 0.938 14.439 1.00 0.00 C ATOM 0 H ALA A 26 -3.001 1.380 12.106 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.001 -0.866 13.344 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.067 0.508 15.400 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.491 1.443 13.998 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.157 1.657 14.587 1.00 0.00 H new ATOM 339 N GLN A 27 -5.094 -0.252 14.354 1.00 0.00 N ATOM 340 CA GLN A 27 -6.269 -0.873 14.954 1.00 0.00 C ATOM 341 C GLN A 27 -6.496 -2.270 14.386 1.00 0.00 C ATOM 342 O GLN A 27 -6.821 -3.203 15.120 1.00 0.00 O ATOM 343 CB GLN A 27 -7.507 -0.006 14.718 1.00 0.00 C ATOM 344 CG GLN A 27 -7.407 1.378 15.338 1.00 0.00 C ATOM 345 CD GLN A 27 -7.935 1.421 16.758 1.00 0.00 C ATOM 346 OE1 GLN A 27 -9.031 0.934 17.040 1.00 0.00 O ATOM 347 NE2 GLN A 27 -7.157 2.004 17.662 1.00 0.00 N ATOM 0 H GLN A 27 -5.210 0.734 14.122 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.095 -0.961 16.026 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.670 0.096 13.645 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.380 -0.515 15.125 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.366 1.700 15.332 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.964 2.087 14.726 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.256 2.394 17.384 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.460 2.062 18.634 1.00 0.00 H new ATOM 356 N GLU A 28 -6.324 -2.406 13.075 1.00 0.00 N ATOM 357 CA GLU A 28 -6.512 -3.690 12.409 1.00 0.00 C ATOM 358 C GLU A 28 -5.448 -4.692 12.849 1.00 0.00 C ATOM 359 O GLU A 28 -5.765 -5.799 13.284 1.00 0.00 O ATOM 360 CB GLU A 28 -6.464 -3.513 10.890 1.00 0.00 C ATOM 361 CG GLU A 28 -7.609 -2.680 10.338 1.00 0.00 C ATOM 362 CD GLU A 28 -8.947 -3.385 10.442 1.00 0.00 C ATOM 363 OE1 GLU A 28 -9.351 -3.725 11.574 1.00 0.00 O ATOM 364 OE2 GLU A 28 -9.590 -3.598 9.393 1.00 0.00 O ATOM 0 H GLU A 28 -6.055 -1.644 12.453 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.491 -4.078 12.692 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.519 -3.043 10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.480 -4.495 10.417 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.658 -1.734 10.878 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.409 -2.441 9.294 1.00 0.00 H new ATOM 371 N ASP A 29 -4.186 -4.295 12.731 1.00 0.00 N ATOM 372 CA ASP A 29 -3.075 -5.157 13.117 1.00 0.00 C ATOM 373 C ASP A 29 -3.353 -5.837 14.454 1.00 0.00 C ATOM 374 O ASP A 29 -3.359 -7.065 14.549 1.00 0.00 O ATOM 375 CB ASP A 29 -1.779 -4.348 13.202 1.00 0.00 C ATOM 376 CG ASP A 29 -0.605 -5.183 13.672 1.00 0.00 C ATOM 377 OD1 ASP A 29 -0.322 -6.221 13.037 1.00 0.00 O ATOM 378 OD2 ASP A 29 0.032 -4.799 14.675 1.00 0.00 O ATOM 0 H ASP A 29 -3.907 -3.382 12.371 1.00 0.00 H new ATOM 0 HA ASP A 29 -2.964 -5.928 12.354 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.552 -3.927 12.223 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.921 -3.510 13.884 1.00 0.00 H new ATOM 383 N LYS A 30 -3.582 -5.031 15.485 1.00 0.00 N ATOM 384 CA LYS A 30 -3.862 -5.554 16.817 1.00 0.00 C ATOM 385 C LYS A 30 -5.059 -6.499 16.791 1.00 0.00 C ATOM 386 O LYS A 30 -5.024 -7.576 17.385 1.00 0.00 O ATOM 387 CB LYS A 30 -4.127 -4.405 17.793 1.00 0.00 C ATOM 388 CG LYS A 30 -3.782 -4.739 19.234 1.00 0.00 C ATOM 389 CD LYS A 30 -4.666 -3.979 20.209 1.00 0.00 C ATOM 390 CE LYS A 30 -4.151 -2.567 20.444 1.00 0.00 C ATOM 391 NZ LYS A 30 -5.011 -1.815 21.399 1.00 0.00 N ATOM 0 H LYS A 30 -3.579 -4.013 15.424 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.988 -6.113 17.151 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.549 -3.535 17.482 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.179 -4.126 17.735 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.896 -5.811 19.397 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.736 -4.497 19.424 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.684 -3.936 19.822 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.708 -4.515 21.157 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.133 -2.611 20.830 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.109 -2.033 19.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.627 -0.858 21.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.977 -1.750 21.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.031 -2.311 22.313 1.00 0.00 H new ATOM 405 N ALA A 31 -6.116 -6.089 16.098 1.00 0.00 N ATOM 406 CA ALA A 31 -7.322 -6.901 15.992 1.00 0.00 C ATOM 407 C ALA A 31 -7.022 -8.245 15.338 1.00 0.00 C ATOM 408 O ALA A 31 -7.649 -9.255 15.656 1.00 0.00 O ATOM 409 CB ALA A 31 -8.392 -6.156 15.207 1.00 0.00 C ATOM 0 H ALA A 31 -6.162 -5.199 15.601 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.693 -7.091 16.999 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.287 -6.774 15.135 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.634 -5.224 15.717 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.022 -5.936 14.206 1.00 0.00 H new ATOM 415 N GLY A 32 -6.060 -8.251 14.421 1.00 0.00 N ATOM 416 CA GLY A 32 -5.695 -9.477 13.736 1.00 0.00 C ATOM 417 C GLY A 32 -5.750 -9.337 12.227 1.00 0.00 C ATOM 418 O GLY A 32 -5.481 -10.291 11.499 1.00 0.00 O ATOM 0 H GLY A 32 -5.527 -7.428 14.140 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -4.688 -9.770 14.034 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.366 -10.277 14.048 1.00 0.00 H new ATOM 422 N ASN A 33 -6.102 -8.145 11.758 1.00 0.00 N ATOM 423 CA ASN A 33 -6.194 -7.884 10.326 1.00 0.00 C ATOM 424 C ASN A 33 -4.873 -7.344 9.785 1.00 0.00 C ATOM 425 O ASN A 33 -4.472 -6.224 10.102 1.00 0.00 O ATOM 426 CB ASN A 33 -7.320 -6.889 10.039 1.00 0.00 C ATOM 427 CG ASN A 33 -8.654 -7.574 9.814 1.00 0.00 C ATOM 428 OD1 ASN A 33 -8.725 -8.625 9.178 1.00 0.00 O ATOM 429 ND2 ASN A 33 -9.720 -6.979 10.337 1.00 0.00 N ATOM 0 H ASN A 33 -6.328 -7.344 12.348 1.00 0.00 H new ATOM 0 HA ASN A 33 -6.414 -8.826 9.824 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.408 -6.194 10.874 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.064 -6.299 9.159 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.645 -7.393 10.219 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.614 -6.108 10.857 1.00 0.00 H new ATOM 436 N TYR A 34 -4.203 -8.148 8.967 1.00 0.00 N ATOM 437 CA TYR A 34 -2.927 -7.753 8.384 1.00 0.00 C ATOM 438 C TYR A 34 -3.113 -7.254 6.954 1.00 0.00 C ATOM 439 O TYR A 34 -2.611 -6.192 6.586 1.00 0.00 O ATOM 440 CB TYR A 34 -1.948 -8.928 8.402 1.00 0.00 C ATOM 441 CG TYR A 34 -1.294 -9.151 9.747 1.00 0.00 C ATOM 442 CD1 TYR A 34 -2.013 -8.991 10.926 1.00 0.00 C ATOM 443 CD2 TYR A 34 0.042 -9.519 9.840 1.00 0.00 C ATOM 444 CE1 TYR A 34 -1.420 -9.193 12.157 1.00 0.00 C ATOM 445 CE2 TYR A 34 0.643 -9.725 11.067 1.00 0.00 C ATOM 446 CZ TYR A 34 -0.092 -9.560 12.222 1.00 0.00 C ATOM 447 OH TYR A 34 0.504 -9.762 13.446 1.00 0.00 O ATOM 0 H TYR A 34 -4.523 -9.077 8.693 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.519 -6.940 8.984 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.477 -9.835 8.110 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.173 -8.756 7.655 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.053 -8.704 10.879 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.621 -9.646 8.937 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.993 -9.064 13.063 1.00 0.00 H new ATOM 0 HE2 TYR A 34 1.682 -10.014 11.121 1.00 0.00 H new ATOM 0 HH TYR A 34 1.441 -10.017 13.315 1.00 0.00 H new ATOM 457 N GLU A 35 -3.838 -8.029 6.153 1.00 0.00 N ATOM 458 CA GLU A 35 -4.091 -7.666 4.764 1.00 0.00 C ATOM 459 C GLU A 35 -4.727 -6.282 4.670 1.00 0.00 C ATOM 460 O GLU A 35 -4.404 -5.498 3.778 1.00 0.00 O ATOM 461 CB GLU A 35 -4.999 -8.703 4.100 1.00 0.00 C ATOM 462 CG GLU A 35 -5.097 -8.548 2.591 1.00 0.00 C ATOM 463 CD GLU A 35 -6.338 -9.205 2.018 1.00 0.00 C ATOM 464 OE1 GLU A 35 -7.452 -8.851 2.456 1.00 0.00 O ATOM 465 OE2 GLU A 35 -6.195 -10.073 1.131 1.00 0.00 O ATOM 0 H GLU A 35 -4.260 -8.911 6.442 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.135 -7.643 4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.626 -9.701 4.331 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.998 -8.628 4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.101 -7.488 2.338 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.212 -8.983 2.126 1.00 0.00 H new ATOM 472 N GLU A 36 -5.634 -5.990 5.597 1.00 0.00 N ATOM 473 CA GLU A 36 -6.317 -4.702 5.618 1.00 0.00 C ATOM 474 C GLU A 36 -5.399 -3.608 6.154 1.00 0.00 C ATOM 475 O GLU A 36 -5.422 -2.474 5.675 1.00 0.00 O ATOM 476 CB GLU A 36 -7.583 -4.784 6.474 1.00 0.00 C ATOM 477 CG GLU A 36 -8.655 -3.785 6.073 1.00 0.00 C ATOM 478 CD GLU A 36 -9.580 -4.321 4.998 1.00 0.00 C ATOM 479 OE1 GLU A 36 -9.933 -5.518 5.061 1.00 0.00 O ATOM 480 OE2 GLU A 36 -9.952 -3.544 4.094 1.00 0.00 O ATOM 0 H GLU A 36 -5.913 -6.628 6.343 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.595 -4.451 4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.993 -5.791 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.317 -4.619 7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -9.242 -3.516 6.951 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.180 -2.872 5.715 1.00 0.00 H new ATOM 487 N ALA A 37 -4.591 -3.956 7.150 1.00 0.00 N ATOM 488 CA ALA A 37 -3.664 -3.005 7.750 1.00 0.00 C ATOM 489 C ALA A 37 -2.600 -2.570 6.748 1.00 0.00 C ATOM 490 O ALA A 37 -2.120 -1.436 6.790 1.00 0.00 O ATOM 491 CB ALA A 37 -3.013 -3.610 8.985 1.00 0.00 C ATOM 0 H ALA A 37 -4.560 -4.890 7.558 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.229 -2.122 8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.323 -2.889 9.423 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.782 -3.865 9.714 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.467 -4.510 8.704 1.00 0.00 H new ATOM 497 N LEU A 38 -2.233 -3.477 5.850 1.00 0.00 N ATOM 498 CA LEU A 38 -1.224 -3.186 4.837 1.00 0.00 C ATOM 499 C LEU A 38 -1.687 -2.064 3.913 1.00 0.00 C ATOM 500 O LEU A 38 -1.125 -0.969 3.922 1.00 0.00 O ATOM 501 CB LEU A 38 -0.919 -4.442 4.019 1.00 0.00 C ATOM 502 CG LEU A 38 -0.054 -4.238 2.774 1.00 0.00 C ATOM 503 CD1 LEU A 38 1.353 -3.811 3.166 1.00 0.00 C ATOM 504 CD2 LEU A 38 -0.014 -5.509 1.938 1.00 0.00 C ATOM 0 H LEU A 38 -2.619 -4.420 5.802 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.317 -2.861 5.346 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.422 -5.163 4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.864 -4.889 3.711 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.498 -3.445 2.172 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.954 -3.671 2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.307 -2.875 3.722 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.807 -4.582 3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.606 -5.345 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 38 0.406 -6.321 2.531 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.025 -5.772 1.627 1.00 0.00 H new ATOM 516 N GLN A 39 -2.716 -2.344 3.120 1.00 0.00 N ATOM 517 CA GLN A 39 -3.255 -1.357 2.192 1.00 0.00 C ATOM 518 C GLN A 39 -3.427 -0.004 2.875 1.00 0.00 C ATOM 519 O GLN A 39 -3.168 1.042 2.278 1.00 0.00 O ATOM 520 CB GLN A 39 -4.597 -1.832 1.631 1.00 0.00 C ATOM 521 CG GLN A 39 -5.763 -1.625 2.584 1.00 0.00 C ATOM 522 CD GLN A 39 -7.107 -1.841 1.918 1.00 0.00 C ATOM 523 OE1 GLN A 39 -7.679 -0.920 1.334 1.00 0.00 O ATOM 524 NE2 GLN A 39 -7.620 -3.063 2.001 1.00 0.00 N ATOM 0 H GLN A 39 -3.193 -3.245 3.101 1.00 0.00 H new ATOM 0 HA GLN A 39 -2.546 -1.242 1.372 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.800 -1.302 0.701 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.524 -2.891 1.385 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.665 -2.310 3.426 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.721 -0.614 2.989 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.112 -3.797 2.495 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -8.522 -3.268 1.571 1.00 0.00 H new ATOM 533 N LEU A 40 -3.865 -0.032 4.128 1.00 0.00 N ATOM 534 CA LEU A 40 -4.072 1.193 4.893 1.00 0.00 C ATOM 535 C LEU A 40 -2.745 1.893 5.169 1.00 0.00 C ATOM 536 O LEU A 40 -2.630 3.110 5.016 1.00 0.00 O ATOM 537 CB LEU A 40 -4.781 0.880 6.213 1.00 0.00 C ATOM 538 CG LEU A 40 -6.233 0.415 6.100 1.00 0.00 C ATOM 539 CD1 LEU A 40 -6.774 0.021 7.466 1.00 0.00 C ATOM 540 CD2 LEU A 40 -7.095 1.503 5.477 1.00 0.00 C ATOM 0 H LEU A 40 -4.084 -0.889 4.636 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.698 1.861 4.301 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.213 0.109 6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.754 1.773 6.838 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.265 -0.461 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.809 -0.307 7.367 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.173 -0.791 7.875 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.728 0.879 8.137 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.125 1.154 5.405 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.058 2.397 6.099 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.721 1.738 4.481 1.00 0.00 H new ATOM 552 N TYR A 41 -1.746 1.118 5.575 1.00 0.00 N ATOM 553 CA TYR A 41 -0.427 1.663 5.873 1.00 0.00 C ATOM 554 C TYR A 41 0.179 2.327 4.640 1.00 0.00 C ATOM 555 O TYR A 41 0.856 3.349 4.742 1.00 0.00 O ATOM 556 CB TYR A 41 0.502 0.559 6.380 1.00 0.00 C ATOM 557 CG TYR A 41 0.370 0.290 7.862 1.00 0.00 C ATOM 558 CD1 TYR A 41 0.497 1.318 8.789 1.00 0.00 C ATOM 559 CD2 TYR A 41 0.118 -0.991 8.336 1.00 0.00 C ATOM 560 CE1 TYR A 41 0.378 1.077 10.144 1.00 0.00 C ATOM 561 CE2 TYR A 41 -0.004 -1.241 9.689 1.00 0.00 C ATOM 562 CZ TYR A 41 0.127 -0.204 10.589 1.00 0.00 C ATOM 563 OH TYR A 41 0.007 -0.449 11.938 1.00 0.00 O ATOM 0 H TYR A 41 -1.824 0.109 5.705 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.541 2.418 6.651 1.00 0.00 H new ATOM 0 HB2 TYR A 41 0.293 -0.360 5.832 1.00 0.00 H new ATOM 0 HB3 TYR A 41 1.533 0.834 6.160 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.692 2.323 8.444 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.016 -1.806 7.635 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.481 1.887 10.851 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -0.201 -2.243 10.040 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.170 -1.402 12.083 1.00 0.00 H new ATOM 573 N GLN A 42 -0.071 1.736 3.475 1.00 0.00 N ATOM 574 CA GLN A 42 0.450 2.269 2.222 1.00 0.00 C ATOM 575 C GLN A 42 -0.270 3.558 1.838 1.00 0.00 C ATOM 576 O GLN A 42 0.364 4.561 1.510 1.00 0.00 O ATOM 577 CB GLN A 42 0.303 1.236 1.104 1.00 0.00 C ATOM 578 CG GLN A 42 0.989 -0.087 1.404 1.00 0.00 C ATOM 579 CD GLN A 42 1.389 -0.835 0.148 1.00 0.00 C ATOM 580 OE1 GLN A 42 1.490 -0.251 -0.931 1.00 0.00 O ATOM 581 NE2 GLN A 42 1.621 -2.136 0.281 1.00 0.00 N ATOM 0 H GLN A 42 -0.630 0.889 3.374 1.00 0.00 H new ATOM 0 HA GLN A 42 1.507 2.493 2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.757 1.054 0.926 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.715 1.649 0.183 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.876 0.097 2.010 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.321 -0.712 1.997 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.526 -2.580 1.194 1.00 0.00 H new ATOM 0 HE22 GLN A 42 1.895 -2.691 -0.530 1.00 0.00 H new ATOM 590 N HIS A 43 -1.598 3.523 1.880 1.00 0.00 N ATOM 591 CA HIS A 43 -2.405 4.689 1.536 1.00 0.00 C ATOM 592 C HIS A 43 -2.067 5.869 2.441 1.00 0.00 C ATOM 593 O HIS A 43 -1.617 6.914 1.972 1.00 0.00 O ATOM 594 CB HIS A 43 -3.893 4.356 1.646 1.00 0.00 C ATOM 595 CG HIS A 43 -4.482 3.819 0.378 1.00 0.00 C ATOM 596 ND1 HIS A 43 -4.579 4.561 -0.780 1.00 0.00 N ATOM 597 CD2 HIS A 43 -5.006 2.604 0.091 1.00 0.00 C ATOM 598 CE1 HIS A 43 -5.138 3.826 -1.725 1.00 0.00 C ATOM 599 NE2 HIS A 43 -5.406 2.634 -1.223 1.00 0.00 N ATOM 0 H HIS A 43 -2.138 2.701 2.149 1.00 0.00 H new ATOM 0 HA HIS A 43 -2.178 4.967 0.507 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.035 3.624 2.441 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -4.437 5.254 1.938 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -5.093 1.767 0.768 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.341 4.146 -2.736 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -5.839 1.861 -1.729 1.00 0.00 H new ATOM 608 N ALA A 44 -2.287 5.695 3.740 1.00 0.00 N ATOM 609 CA ALA A 44 -2.004 6.745 4.711 1.00 0.00 C ATOM 610 C ALA A 44 -0.769 7.544 4.311 1.00 0.00 C ATOM 611 O ALA A 44 -0.811 8.772 4.227 1.00 0.00 O ATOM 612 CB ALA A 44 -1.822 6.147 6.098 1.00 0.00 C ATOM 0 H ALA A 44 -2.661 4.836 4.144 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.855 7.426 4.730 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.611 6.943 6.813 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.734 5.627 6.392 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.991 5.442 6.084 1.00 0.00 H new ATOM 618 N VAL A 45 0.332 6.840 4.064 1.00 0.00 N ATOM 619 CA VAL A 45 1.580 7.485 3.673 1.00 0.00 C ATOM 620 C VAL A 45 1.423 8.228 2.351 1.00 0.00 C ATOM 621 O VAL A 45 1.823 9.386 2.228 1.00 0.00 O ATOM 622 CB VAL A 45 2.723 6.461 3.540 1.00 0.00 C ATOM 623 CG1 VAL A 45 3.954 7.111 2.929 1.00 0.00 C ATOM 624 CG2 VAL A 45 3.049 5.849 4.894 1.00 0.00 C ATOM 0 H VAL A 45 0.385 5.823 4.128 1.00 0.00 H new ATOM 0 HA VAL A 45 1.829 8.197 4.460 1.00 0.00 H new ATOM 0 HB VAL A 45 2.396 5.662 2.875 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.751 6.372 2.843 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.709 7.497 1.940 1.00 0.00 H new ATOM 0 HG13 VAL A 45 4.287 7.931 3.566 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.859 5.128 4.782 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.356 6.635 5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.166 5.345 5.288 1.00 0.00 H new ATOM 634 N GLN A 46 0.837 7.556 1.366 1.00 0.00 N ATOM 635 CA GLN A 46 0.628 8.154 0.052 1.00 0.00 C ATOM 636 C GLN A 46 0.054 9.561 0.180 1.00 0.00 C ATOM 637 O GLN A 46 0.454 10.473 -0.543 1.00 0.00 O ATOM 638 CB GLN A 46 -0.310 7.282 -0.785 1.00 0.00 C ATOM 639 CG GLN A 46 0.310 5.962 -1.215 1.00 0.00 C ATOM 640 CD GLN A 46 1.222 6.110 -2.417 1.00 0.00 C ATOM 641 OE1 GLN A 46 1.308 7.181 -3.017 1.00 0.00 O ATOM 642 NE2 GLN A 46 1.910 5.031 -2.774 1.00 0.00 N ATOM 0 H GLN A 46 0.498 6.598 1.452 1.00 0.00 H new ATOM 0 HA GLN A 46 1.594 8.219 -0.448 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.214 7.079 -0.210 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.614 7.837 -1.672 1.00 0.00 H new ATOM 0 HG2 GLN A 46 0.876 5.543 -0.383 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.483 5.252 -1.450 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.808 4.164 -2.247 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.541 5.070 -3.575 1.00 0.00 H new ATOM 651 N TYR A 47 -0.885 9.729 1.104 1.00 0.00 N ATOM 652 CA TYR A 47 -1.517 11.025 1.325 1.00 0.00 C ATOM 653 C TYR A 47 -0.596 11.952 2.113 1.00 0.00 C ATOM 654 O TYR A 47 -0.475 13.137 1.802 1.00 0.00 O ATOM 655 CB TYR A 47 -2.842 10.850 2.069 1.00 0.00 C ATOM 656 CG TYR A 47 -3.937 10.244 1.221 1.00 0.00 C ATOM 657 CD1 TYR A 47 -4.754 11.043 0.431 1.00 0.00 C ATOM 658 CD2 TYR A 47 -4.154 8.871 1.209 1.00 0.00 C ATOM 659 CE1 TYR A 47 -5.757 10.494 -0.345 1.00 0.00 C ATOM 660 CE2 TYR A 47 -5.153 8.313 0.435 1.00 0.00 C ATOM 661 CZ TYR A 47 -5.952 9.128 -0.340 1.00 0.00 C ATOM 662 OH TYR A 47 -6.949 8.576 -1.111 1.00 0.00 O ATOM 0 H TYR A 47 -1.226 8.984 1.712 1.00 0.00 H new ATOM 0 HA TYR A 47 -1.712 11.477 0.352 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.678 10.218 2.942 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.174 11.821 2.436 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.603 12.112 0.423 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.531 8.230 1.815 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.384 11.130 -0.952 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.308 7.244 0.437 1.00 0.00 H new ATOM 0 HH TYR A 47 -6.952 7.603 -0.994 1.00 0.00 H new ATOM 672 N PHE A 48 0.050 11.403 3.136 1.00 0.00 N ATOM 673 CA PHE A 48 0.960 12.179 3.971 1.00 0.00 C ATOM 674 C PHE A 48 1.995 12.906 3.117 1.00 0.00 C ATOM 675 O PHE A 48 2.280 14.084 3.335 1.00 0.00 O ATOM 676 CB PHE A 48 1.663 11.269 4.979 1.00 0.00 C ATOM 677 CG PHE A 48 0.871 11.040 6.235 1.00 0.00 C ATOM 678 CD1 PHE A 48 0.280 12.103 6.900 1.00 0.00 C ATOM 679 CD2 PHE A 48 0.717 9.763 6.750 1.00 0.00 C ATOM 680 CE1 PHE A 48 -0.450 11.896 8.055 1.00 0.00 C ATOM 681 CE2 PHE A 48 -0.013 9.551 7.904 1.00 0.00 C ATOM 682 CZ PHE A 48 -0.596 10.618 8.558 1.00 0.00 C ATOM 0 H PHE A 48 -0.040 10.424 3.407 1.00 0.00 H new ATOM 0 HA PHE A 48 0.373 12.922 4.511 1.00 0.00 H new ATOM 0 HB2 PHE A 48 1.867 10.308 4.508 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.626 11.707 5.241 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.391 13.104 6.511 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.172 8.924 6.244 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.906 12.733 8.564 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.127 8.551 8.294 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.165 10.454 9.461 1.00 0.00 H new ATOM 692 N LEU A 49 2.555 12.195 2.144 1.00 0.00 N ATOM 693 CA LEU A 49 3.559 12.771 1.256 1.00 0.00 C ATOM 694 C LEU A 49 2.946 13.845 0.364 1.00 0.00 C ATOM 695 O LEU A 49 3.376 14.999 0.377 1.00 0.00 O ATOM 696 CB LEU A 49 4.194 11.678 0.396 1.00 0.00 C ATOM 697 CG LEU A 49 5.140 10.718 1.119 1.00 0.00 C ATOM 698 CD1 LEU A 49 5.562 9.586 0.195 1.00 0.00 C ATOM 699 CD2 LEU A 49 6.359 11.464 1.642 1.00 0.00 C ATOM 0 H LEU A 49 2.331 11.219 1.950 1.00 0.00 H new ATOM 0 HA LEU A 49 4.330 13.234 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.395 11.094 -0.061 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.744 12.156 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 49 4.610 10.287 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 49 6.235 8.914 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.680 9.034 -0.131 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.074 9.998 -0.675 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.021 10.766 2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.890 11.923 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.040 12.239 2.339 1.00 0.00 H new ATOM 711 N HIS A 50 1.937 13.458 -0.410 1.00 0.00 N ATOM 712 CA HIS A 50 1.261 14.389 -1.308 1.00 0.00 C ATOM 713 C HIS A 50 1.027 15.731 -0.622 1.00 0.00 C ATOM 714 O HIS A 50 1.031 16.780 -1.268 1.00 0.00 O ATOM 715 CB HIS A 50 -0.071 13.803 -1.776 1.00 0.00 C ATOM 716 CG HIS A 50 -0.571 14.400 -3.056 1.00 0.00 C ATOM 717 ND1 HIS A 50 -0.015 14.116 -4.286 1.00 0.00 N ATOM 718 CD2 HIS A 50 -1.582 15.268 -3.292 1.00 0.00 C ATOM 719 CE1 HIS A 50 -0.662 14.786 -5.223 1.00 0.00 C ATOM 720 NE2 HIS A 50 -1.618 15.492 -4.647 1.00 0.00 N ATOM 0 H HIS A 50 1.569 12.507 -0.434 1.00 0.00 H new ATOM 0 HA HIS A 50 1.902 14.550 -2.174 1.00 0.00 H new ATOM 0 HB2 HIS A 50 0.041 12.727 -1.906 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -0.819 13.954 -0.998 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -2.238 15.703 -2.553 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.446 14.761 -6.281 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -2.276 16.104 -5.130 1.00 0.00 H new ATOM 729 N VAL A 51 0.821 15.692 0.691 1.00 0.00 N ATOM 730 CA VAL A 51 0.585 16.905 1.464 1.00 0.00 C ATOM 731 C VAL A 51 1.879 17.682 1.678 1.00 0.00 C ATOM 732 O VAL A 51 1.940 18.887 1.436 1.00 0.00 O ATOM 733 CB VAL A 51 -0.040 16.584 2.835 1.00 0.00 C ATOM 734 CG1 VAL A 51 -0.188 17.850 3.665 1.00 0.00 C ATOM 735 CG2 VAL A 51 -1.384 15.893 2.658 1.00 0.00 C ATOM 0 H VAL A 51 0.813 14.833 1.241 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.111 17.516 0.889 1.00 0.00 H new ATOM 0 HB VAL A 51 0.625 15.905 3.368 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.631 17.603 4.630 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.793 18.300 3.821 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.832 18.556 3.140 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -1.812 15.673 3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.059 16.546 2.105 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -1.245 14.964 2.106 1.00 0.00 H new ATOM 745 N VAL A 52 2.914 16.982 2.132 1.00 0.00 N ATOM 746 CA VAL A 52 4.210 17.605 2.377 1.00 0.00 C ATOM 747 C VAL A 52 4.843 18.087 1.076 1.00 0.00 C ATOM 748 O VAL A 52 5.884 18.743 1.085 1.00 0.00 O ATOM 749 CB VAL A 52 5.177 16.632 3.077 1.00 0.00 C ATOM 750 CG1 VAL A 52 6.591 17.195 3.081 1.00 0.00 C ATOM 751 CG2 VAL A 52 4.707 16.341 4.494 1.00 0.00 C ATOM 0 H VAL A 52 2.880 15.983 2.338 1.00 0.00 H new ATOM 0 HA VAL A 52 4.032 18.460 3.029 1.00 0.00 H new ATOM 0 HB VAL A 52 5.186 15.694 2.522 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.260 16.494 3.580 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.925 17.348 2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 52 6.602 18.147 3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 52 5.402 15.652 4.974 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.667 17.270 5.062 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.714 15.892 4.463 1.00 0.00 H new ATOM 761 N LYS A 53 4.207 17.756 -0.042 1.00 0.00 N ATOM 762 CA LYS A 53 4.705 18.155 -1.353 1.00 0.00 C ATOM 763 C LYS A 53 4.084 19.478 -1.792 1.00 0.00 C ATOM 764 O LYS A 53 4.787 20.469 -1.991 1.00 0.00 O ATOM 765 CB LYS A 53 4.404 17.070 -2.389 1.00 0.00 C ATOM 766 CG LYS A 53 5.391 17.039 -3.543 1.00 0.00 C ATOM 767 CD LYS A 53 5.188 18.216 -4.482 1.00 0.00 C ATOM 768 CE LYS A 53 6.232 18.234 -5.587 1.00 0.00 C ATOM 769 NZ LYS A 53 7.592 18.535 -5.061 1.00 0.00 N ATOM 0 H LYS A 53 3.345 17.212 -0.067 1.00 0.00 H new ATOM 0 HA LYS A 53 5.784 18.287 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.405 16.098 -1.895 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.400 17.226 -2.785 1.00 0.00 H new ATOM 0 HG2 LYS A 53 6.409 17.055 -3.153 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.276 16.107 -4.096 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.192 18.164 -4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.239 19.147 -3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.243 17.268 -6.091 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.958 18.980 -6.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.238 18.722 -5.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 7.549 19.372 -4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.941 17.721 -4.515 1.00 0.00 H new ATOM 783 N TYR A 54 2.764 19.486 -1.939 1.00 0.00 N ATOM 784 CA TYR A 54 2.049 20.687 -2.355 1.00 0.00 C ATOM 785 C TYR A 54 1.454 21.411 -1.151 1.00 0.00 C ATOM 786 O TYR A 54 1.599 22.624 -1.010 1.00 0.00 O ATOM 787 CB TYR A 54 0.942 20.328 -3.347 1.00 0.00 C ATOM 788 CG TYR A 54 1.396 19.401 -4.452 1.00 0.00 C ATOM 789 CD1 TYR A 54 1.423 18.025 -4.264 1.00 0.00 C ATOM 790 CD2 TYR A 54 1.799 19.901 -5.684 1.00 0.00 C ATOM 791 CE1 TYR A 54 1.837 17.174 -5.270 1.00 0.00 C ATOM 792 CE2 TYR A 54 2.214 19.058 -6.697 1.00 0.00 C ATOM 793 CZ TYR A 54 2.231 17.695 -6.485 1.00 0.00 C ATOM 794 OH TYR A 54 2.645 16.852 -7.491 1.00 0.00 O ATOM 0 H TYR A 54 2.167 18.675 -1.776 1.00 0.00 H new ATOM 0 HA TYR A 54 2.761 21.354 -2.841 1.00 0.00 H new ATOM 0 HB2 TYR A 54 0.119 19.860 -2.807 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.552 21.244 -3.790 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.115 17.613 -3.314 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.788 20.968 -5.853 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.852 16.107 -5.106 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.523 19.464 -7.649 1.00 0.00 H new ATOM 0 HH TYR A 54 2.887 17.379 -8.281 1.00 0.00 H new ATOM 804 N GLU A 55 0.785 20.655 -0.286 1.00 0.00 N ATOM 805 CA GLU A 55 0.167 21.224 0.906 1.00 0.00 C ATOM 806 C GLU A 55 1.163 21.280 2.061 1.00 0.00 C ATOM 807 O GLU A 55 0.788 21.136 3.224 1.00 0.00 O ATOM 808 CB GLU A 55 -1.059 20.404 1.313 1.00 0.00 C ATOM 809 CG GLU A 55 -2.208 20.493 0.323 1.00 0.00 C ATOM 810 CD GLU A 55 -3.561 20.311 0.982 1.00 0.00 C ATOM 811 OE1 GLU A 55 -4.131 21.316 1.457 1.00 0.00 O ATOM 812 OE2 GLU A 55 -4.051 19.163 1.022 1.00 0.00 O ATOM 0 H GLU A 55 0.657 19.648 -0.388 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.148 22.241 0.671 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.766 19.360 1.424 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.405 20.744 2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.178 21.462 -0.176 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.078 19.733 -0.448 1.00 0.00 H new ATOM 819 N ALA A 56 2.433 21.488 1.730 1.00 0.00 N ATOM 820 CA ALA A 56 3.482 21.564 2.738 1.00 0.00 C ATOM 821 C ALA A 56 3.064 22.459 3.900 1.00 0.00 C ATOM 822 O ALA A 56 2.523 23.545 3.695 1.00 0.00 O ATOM 823 CB ALA A 56 4.775 22.072 2.118 1.00 0.00 C ATOM 0 H ALA A 56 2.760 21.607 0.771 1.00 0.00 H new ATOM 0 HA ALA A 56 3.649 20.560 3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 56 5.550 22.124 2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.091 21.392 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.612 23.065 1.699 1.00 0.00 H new ATOM 829 N GLN A 57 3.317 21.995 5.120 1.00 0.00 N ATOM 830 CA GLN A 57 2.965 22.754 6.314 1.00 0.00 C ATOM 831 C GLN A 57 4.136 23.613 6.778 1.00 0.00 C ATOM 832 O GLN A 57 4.114 24.836 6.643 1.00 0.00 O ATOM 833 CB GLN A 57 2.535 21.808 7.436 1.00 0.00 C ATOM 834 CG GLN A 57 1.348 20.930 7.071 1.00 0.00 C ATOM 835 CD GLN A 57 0.018 21.584 7.389 1.00 0.00 C ATOM 836 OE1 GLN A 57 -0.122 22.805 7.306 1.00 0.00 O ATOM 837 NE2 GLN A 57 -0.968 20.774 7.756 1.00 0.00 N ATOM 0 H GLN A 57 3.764 21.098 5.307 1.00 0.00 H new ATOM 0 HA GLN A 57 2.133 23.412 6.064 1.00 0.00 H new ATOM 0 HB2 GLN A 57 3.378 21.171 7.706 1.00 0.00 H new ATOM 0 HB3 GLN A 57 2.284 22.396 8.319 1.00 0.00 H new ATOM 0 HG2 GLN A 57 1.388 20.696 6.007 1.00 0.00 H new ATOM 0 HG3 GLN A 57 1.421 19.985 7.609 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -0.808 19.768 7.811 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -1.886 21.158 7.982 1.00 0.00 H new ATOM 846 N GLY A 58 5.159 22.964 7.326 1.00 0.00 N ATOM 847 CA GLY A 58 6.325 23.685 7.803 1.00 0.00 C ATOM 848 C GLY A 58 7.513 22.774 8.041 1.00 0.00 C ATOM 849 O GLY A 58 7.414 21.558 7.876 1.00 0.00 O ATOM 0 H GLY A 58 5.201 21.952 7.448 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.598 24.450 7.076 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.075 24.201 8.730 1.00 0.00 H new ATOM 853 N ASP A 59 8.640 23.363 8.427 1.00 0.00 N ATOM 854 CA ASP A 59 9.852 22.596 8.687 1.00 0.00 C ATOM 855 C ASP A 59 9.640 21.618 9.839 1.00 0.00 C ATOM 856 O ASP A 59 10.281 20.569 9.903 1.00 0.00 O ATOM 857 CB ASP A 59 11.016 23.535 9.007 1.00 0.00 C ATOM 858 CG ASP A 59 10.987 24.799 8.170 1.00 0.00 C ATOM 859 OD1 ASP A 59 10.242 25.733 8.532 1.00 0.00 O ATOM 860 OD2 ASP A 59 11.709 24.853 7.152 1.00 0.00 O ATOM 0 H ASP A 59 8.739 24.369 8.567 1.00 0.00 H new ATOM 0 HA ASP A 59 10.091 22.026 7.789 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.984 23.801 10.063 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.958 23.012 8.838 1.00 0.00 H new ATOM 865 N LYS A 60 8.738 21.970 10.749 1.00 0.00 N ATOM 866 CA LYS A 60 8.441 21.125 11.899 1.00 0.00 C ATOM 867 C LYS A 60 7.388 20.079 11.548 1.00 0.00 C ATOM 868 O LYS A 60 7.534 18.902 11.877 1.00 0.00 O ATOM 869 CB LYS A 60 7.955 21.978 13.073 1.00 0.00 C ATOM 870 CG LYS A 60 9.057 22.790 13.731 1.00 0.00 C ATOM 871 CD LYS A 60 10.204 21.905 14.191 1.00 0.00 C ATOM 872 CE LYS A 60 11.082 22.615 15.210 1.00 0.00 C ATOM 873 NZ LYS A 60 10.329 22.957 16.448 1.00 0.00 N ATOM 0 H LYS A 60 8.200 22.836 10.712 1.00 0.00 H new ATOM 0 HA LYS A 60 9.358 20.610 12.186 1.00 0.00 H new ATOM 0 HB2 LYS A 60 7.176 22.655 12.722 1.00 0.00 H new ATOM 0 HB3 LYS A 60 7.499 21.328 13.820 1.00 0.00 H new ATOM 0 HG2 LYS A 60 9.430 23.535 13.028 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.650 23.333 14.584 1.00 0.00 H new ATOM 0 HD2 LYS A 60 9.806 20.989 14.628 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.807 21.612 13.331 1.00 0.00 H new ATOM 0 HE2 LYS A 60 11.930 21.979 15.465 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.488 23.525 14.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 10.995 23.070 17.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.809 23.846 16.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 9.657 22.195 16.667 1.00 0.00 H new ATOM 887 N ALA A 61 6.327 20.516 10.876 1.00 0.00 N ATOM 888 CA ALA A 61 5.252 19.616 10.477 1.00 0.00 C ATOM 889 C ALA A 61 5.735 18.611 9.437 1.00 0.00 C ATOM 890 O ALA A 61 5.307 17.457 9.428 1.00 0.00 O ATOM 891 CB ALA A 61 4.072 20.411 9.938 1.00 0.00 C ATOM 0 H ALA A 61 6.189 21.487 10.597 1.00 0.00 H new ATOM 0 HA ALA A 61 4.930 19.061 11.358 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.276 19.727 9.644 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.704 21.085 10.711 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.390 20.992 9.072 1.00 0.00 H new ATOM 897 N LYS A 62 6.628 19.057 8.560 1.00 0.00 N ATOM 898 CA LYS A 62 7.170 18.197 7.515 1.00 0.00 C ATOM 899 C LYS A 62 7.856 16.975 8.117 1.00 0.00 C ATOM 900 O LYS A 62 7.428 15.842 7.899 1.00 0.00 O ATOM 901 CB LYS A 62 8.162 18.976 6.648 1.00 0.00 C ATOM 902 CG LYS A 62 7.498 19.823 5.576 1.00 0.00 C ATOM 903 CD LYS A 62 8.328 21.052 5.244 1.00 0.00 C ATOM 904 CE LYS A 62 7.473 22.154 4.635 1.00 0.00 C ATOM 905 NZ LYS A 62 8.280 23.082 3.796 1.00 0.00 N ATOM 0 H LYS A 62 6.992 20.010 8.552 1.00 0.00 H new ATOM 0 HA LYS A 62 6.342 17.857 6.893 1.00 0.00 H new ATOM 0 HB2 LYS A 62 8.763 19.621 7.289 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.846 18.273 6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.354 19.225 4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.509 20.131 5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.810 21.422 6.149 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.122 20.779 4.548 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.685 21.709 4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.984 22.716 5.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.662 23.818 3.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.017 23.527 4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.726 22.551 3.021 1.00 0.00 H new ATOM 919 N GLN A 63 8.920 17.213 8.876 1.00 0.00 N ATOM 920 CA GLN A 63 9.664 16.131 9.511 1.00 0.00 C ATOM 921 C GLN A 63 8.743 15.266 10.366 1.00 0.00 C ATOM 922 O GLN A 63 8.887 14.045 10.410 1.00 0.00 O ATOM 923 CB GLN A 63 10.796 16.697 10.370 1.00 0.00 C ATOM 924 CG GLN A 63 10.319 17.655 11.450 1.00 0.00 C ATOM 925 CD GLN A 63 11.321 17.808 12.577 1.00 0.00 C ATOM 926 OE1 GLN A 63 11.901 16.828 13.044 1.00 0.00 O ATOM 927 NE2 GLN A 63 11.528 19.042 13.022 1.00 0.00 N ATOM 0 H GLN A 63 9.287 18.145 9.067 1.00 0.00 H new ATOM 0 HA GLN A 63 10.091 15.508 8.726 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.333 15.872 10.839 1.00 0.00 H new ATOM 0 HB3 GLN A 63 11.507 17.214 9.725 1.00 0.00 H new ATOM 0 HG2 GLN A 63 10.126 18.631 11.005 1.00 0.00 H new ATOM 0 HG3 GLN A 63 9.373 17.297 11.856 1.00 0.00 H new ATOM 0 HE21 GLN A 63 11.025 19.825 12.605 1.00 0.00 H new ATOM 0 HE22 GLN A 63 12.190 19.206 13.780 1.00 0.00 H new ATOM 936 N SER A 64 7.798 15.909 11.045 1.00 0.00 N ATOM 937 CA SER A 64 6.857 15.199 11.903 1.00 0.00 C ATOM 938 C SER A 64 6.102 14.133 11.115 1.00 0.00 C ATOM 939 O SER A 64 6.087 12.961 11.493 1.00 0.00 O ATOM 940 CB SER A 64 5.867 16.181 12.532 1.00 0.00 C ATOM 941 OG SER A 64 6.370 16.703 13.750 1.00 0.00 O ATOM 0 H SER A 64 7.664 16.920 11.017 1.00 0.00 H new ATOM 0 HA SER A 64 7.424 14.708 12.694 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.669 16.997 11.837 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.917 15.678 12.713 1.00 0.00 H new ATOM 0 HG SER A 64 6.877 17.522 13.570 1.00 0.00 H new ATOM 947 N ILE A 65 5.476 14.549 10.020 1.00 0.00 N ATOM 948 CA ILE A 65 4.719 13.630 9.178 1.00 0.00 C ATOM 949 C ILE A 65 5.635 12.597 8.530 1.00 0.00 C ATOM 950 O ILE A 65 5.320 11.408 8.497 1.00 0.00 O ATOM 951 CB ILE A 65 3.950 14.381 8.075 1.00 0.00 C ATOM 952 CG1 ILE A 65 2.886 15.291 8.694 1.00 0.00 C ATOM 953 CG2 ILE A 65 3.313 13.395 7.107 1.00 0.00 C ATOM 954 CD1 ILE A 65 2.331 16.315 7.729 1.00 0.00 C ATOM 0 H ILE A 65 5.478 15.516 9.695 1.00 0.00 H new ATOM 0 HA ILE A 65 4.005 13.123 9.827 1.00 0.00 H new ATOM 0 HB ILE A 65 4.654 15.001 7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.068 14.676 9.069 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.316 15.808 9.552 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.773 13.942 6.334 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.090 12.785 6.645 1.00 0.00 H new ATOM 0 HG23 ILE A 65 2.619 12.751 7.648 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.583 16.924 8.236 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.139 16.954 7.372 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.871 15.805 6.882 1.00 0.00 H new ATOM 966 N ARG A 66 6.770 13.060 8.017 1.00 0.00 N ATOM 967 CA ARG A 66 7.733 12.177 7.370 1.00 0.00 C ATOM 968 C ARG A 66 8.071 10.991 8.269 1.00 0.00 C ATOM 969 O ARG A 66 8.013 9.839 7.841 1.00 0.00 O ATOM 970 CB ARG A 66 9.008 12.945 7.020 1.00 0.00 C ATOM 971 CG ARG A 66 8.839 13.908 5.856 1.00 0.00 C ATOM 972 CD ARG A 66 10.159 14.561 5.477 1.00 0.00 C ATOM 973 NE ARG A 66 10.487 15.681 6.356 1.00 0.00 N ATOM 974 CZ ARG A 66 11.720 16.142 6.530 1.00 0.00 C ATOM 975 NH1 ARG A 66 12.737 15.582 5.889 1.00 0.00 N ATOM 976 NH2 ARG A 66 11.939 17.165 7.346 1.00 0.00 N ATOM 0 H ARG A 66 7.045 14.042 8.037 1.00 0.00 H new ATOM 0 HA ARG A 66 7.282 11.799 6.452 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.338 13.502 7.897 1.00 0.00 H new ATOM 0 HB3 ARG A 66 9.797 12.232 6.779 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.436 13.373 4.996 1.00 0.00 H new ATOM 0 HG3 ARG A 66 8.114 14.678 6.121 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.957 13.819 5.522 1.00 0.00 H new ATOM 0 HD3 ARG A 66 10.107 14.912 4.446 1.00 0.00 H new ATOM 0 HE ARG A 66 9.727 16.134 6.864 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.573 14.795 5.261 1.00 0.00 H new ATOM 0 HH12 ARG A 66 13.683 15.938 6.024 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.160 17.599 7.841 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.887 17.518 7.479 1.00 0.00 H new ATOM 990 N ALA A 67 8.426 11.283 9.516 1.00 0.00 N ATOM 991 CA ALA A 67 8.772 10.241 10.476 1.00 0.00 C ATOM 992 C ALA A 67 7.782 9.083 10.410 1.00 0.00 C ATOM 993 O ALA A 67 8.172 7.916 10.442 1.00 0.00 O ATOM 994 CB ALA A 67 8.823 10.816 11.883 1.00 0.00 C ATOM 0 H ALA A 67 8.482 12.232 9.885 1.00 0.00 H new ATOM 0 HA ALA A 67 9.758 9.856 10.217 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.082 10.027 12.589 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.575 11.604 11.927 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.848 11.229 12.143 1.00 0.00 H new ATOM 1000 N LYS A 68 6.498 9.414 10.320 1.00 0.00 N ATOM 1001 CA LYS A 68 5.450 8.402 10.250 1.00 0.00 C ATOM 1002 C LYS A 68 5.535 7.621 8.943 1.00 0.00 C ATOM 1003 O LYS A 68 5.421 6.394 8.933 1.00 0.00 O ATOM 1004 CB LYS A 68 4.072 9.055 10.377 1.00 0.00 C ATOM 1005 CG LYS A 68 3.587 9.176 11.811 1.00 0.00 C ATOM 1006 CD LYS A 68 4.387 10.209 12.587 1.00 0.00 C ATOM 1007 CE LYS A 68 5.607 9.587 13.249 1.00 0.00 C ATOM 1008 NZ LYS A 68 5.230 8.709 14.392 1.00 0.00 N ATOM 0 H LYS A 68 6.158 10.375 10.294 1.00 0.00 H new ATOM 0 HA LYS A 68 5.594 7.708 11.078 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.107 10.048 9.929 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.349 8.473 9.806 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.533 9.452 11.817 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.666 8.208 12.305 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.704 11.006 11.914 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.753 10.666 13.347 1.00 0.00 H new ATOM 0 HE2 LYS A 68 6.163 9.006 12.513 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.271 10.376 13.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.061 8.551 14.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.479 9.166 14.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.886 7.797 14.030 1.00 0.00 H new ATOM 1022 N CYS A 69 5.737 8.337 7.843 1.00 0.00 N ATOM 1023 CA CYS A 69 5.837 7.710 6.529 1.00 0.00 C ATOM 1024 C CYS A 69 6.859 6.578 6.545 1.00 0.00 C ATOM 1025 O CYS A 69 6.615 5.499 6.004 1.00 0.00 O ATOM 1026 CB CYS A 69 6.223 8.748 5.474 1.00 0.00 C ATOM 1027 SG CYS A 69 4.940 9.978 5.144 1.00 0.00 S ATOM 0 H CYS A 69 5.835 9.352 7.834 1.00 0.00 H new ATOM 0 HA CYS A 69 4.862 7.292 6.277 1.00 0.00 H new ATOM 0 HB2 CYS A 69 7.128 9.261 5.799 1.00 0.00 H new ATOM 0 HB3 CYS A 69 6.465 8.233 4.544 1.00 0.00 H new ATOM 0 HG CYS A 69 5.361 10.813 4.241 1.00 0.00 H new ATOM 1033 N THR A 70 8.007 6.832 7.166 1.00 0.00 N ATOM 1034 CA THR A 70 9.067 5.835 7.249 1.00 0.00 C ATOM 1035 C THR A 70 8.651 4.661 8.128 1.00 0.00 C ATOM 1036 O THR A 70 8.864 3.503 7.772 1.00 0.00 O ATOM 1037 CB THR A 70 10.368 6.444 7.808 1.00 0.00 C ATOM 1038 OG1 THR A 70 10.828 7.491 6.946 1.00 0.00 O ATOM 1039 CG2 THR A 70 11.447 5.382 7.945 1.00 0.00 C ATOM 0 H THR A 70 8.226 7.719 7.619 1.00 0.00 H new ATOM 0 HA THR A 70 9.247 5.480 6.234 1.00 0.00 H new ATOM 0 HB THR A 70 10.157 6.854 8.796 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.654 7.874 7.309 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.356 5.835 8.341 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.105 4.601 8.624 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.655 4.947 6.968 1.00 0.00 H new ATOM 1047 N GLU A 71 8.056 4.969 9.276 1.00 0.00 N ATOM 1048 CA GLU A 71 7.610 3.938 10.205 1.00 0.00 C ATOM 1049 C GLU A 71 6.552 3.046 9.562 1.00 0.00 C ATOM 1050 O GLU A 71 6.764 1.848 9.376 1.00 0.00 O ATOM 1051 CB GLU A 71 7.050 4.574 11.479 1.00 0.00 C ATOM 1052 CG GLU A 71 6.474 3.568 12.460 1.00 0.00 C ATOM 1053 CD GLU A 71 7.412 2.405 12.722 1.00 0.00 C ATOM 1054 OE1 GLU A 71 7.434 1.464 11.902 1.00 0.00 O ATOM 1055 OE2 GLU A 71 8.124 2.438 13.747 1.00 0.00 O ATOM 0 H GLU A 71 7.872 5.924 9.585 1.00 0.00 H new ATOM 0 HA GLU A 71 8.472 3.322 10.464 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.842 5.137 11.972 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.273 5.289 11.207 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.252 4.070 13.402 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.529 3.188 12.072 1.00 0.00 H new ATOM 1062 N TYR A 72 5.413 3.640 9.224 1.00 0.00 N ATOM 1063 CA TYR A 72 4.320 2.900 8.604 1.00 0.00 C ATOM 1064 C TYR A 72 4.812 2.114 7.393 1.00 0.00 C ATOM 1065 O TYR A 72 4.393 0.979 7.162 1.00 0.00 O ATOM 1066 CB TYR A 72 3.202 3.856 8.186 1.00 0.00 C ATOM 1067 CG TYR A 72 2.613 4.640 9.337 1.00 0.00 C ATOM 1068 CD1 TYR A 72 2.396 4.041 10.572 1.00 0.00 C ATOM 1069 CD2 TYR A 72 2.272 5.978 9.190 1.00 0.00 C ATOM 1070 CE1 TYR A 72 1.858 4.752 11.626 1.00 0.00 C ATOM 1071 CE2 TYR A 72 1.735 6.698 10.239 1.00 0.00 C ATOM 1072 CZ TYR A 72 1.529 6.081 11.455 1.00 0.00 C ATOM 1073 OH TYR A 72 0.992 6.794 12.502 1.00 0.00 O ATOM 0 H TYR A 72 5.222 4.632 9.369 1.00 0.00 H new ATOM 0 HA TYR A 72 3.930 2.195 9.338 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.590 4.553 7.444 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.409 3.285 7.703 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.653 3.001 10.710 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.430 6.464 8.239 1.00 0.00 H new ATOM 0 HE1 TYR A 72 1.696 4.271 12.579 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.478 7.739 10.108 1.00 0.00 H new ATOM 0 HH TYR A 72 0.818 7.715 12.216 1.00 0.00 H new ATOM 1083 N LEU A 73 5.705 2.725 6.623 1.00 0.00 N ATOM 1084 CA LEU A 73 6.257 2.084 5.434 1.00 0.00 C ATOM 1085 C LEU A 73 6.977 0.790 5.798 1.00 0.00 C ATOM 1086 O LEU A 73 6.707 -0.265 5.224 1.00 0.00 O ATOM 1087 CB LEU A 73 7.221 3.033 4.720 1.00 0.00 C ATOM 1088 CG LEU A 73 6.586 4.026 3.744 1.00 0.00 C ATOM 1089 CD1 LEU A 73 7.585 5.105 3.356 1.00 0.00 C ATOM 1090 CD2 LEU A 73 6.071 3.303 2.508 1.00 0.00 C ATOM 0 H LEU A 73 6.063 3.664 6.800 1.00 0.00 H new ATOM 0 HA LEU A 73 5.431 1.843 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 73 7.770 3.596 5.474 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.951 2.435 4.175 1.00 0.00 H new ATOM 0 HG LEU A 73 5.741 4.504 4.239 1.00 0.00 H new ATOM 0 HD11 LEU A 73 7.116 5.802 2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 73 7.905 5.642 4.249 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.451 4.645 2.879 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.623 4.024 1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.899 2.798 2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.322 2.568 2.802 1.00 0.00 H new ATOM 1102 N ASP A 74 7.892 0.877 6.757 1.00 0.00 N ATOM 1103 CA ASP A 74 8.648 -0.288 7.201 1.00 0.00 C ATOM 1104 C ASP A 74 7.718 -1.358 7.763 1.00 0.00 C ATOM 1105 O ASP A 74 7.902 -2.549 7.511 1.00 0.00 O ATOM 1106 CB ASP A 74 9.677 0.118 8.258 1.00 0.00 C ATOM 1107 CG ASP A 74 10.855 -0.835 8.315 1.00 0.00 C ATOM 1108 OD1 ASP A 74 11.331 -1.256 7.239 1.00 0.00 O ATOM 1109 OD2 ASP A 74 11.301 -1.160 9.435 1.00 0.00 O ATOM 0 H ASP A 74 8.128 1.743 7.242 1.00 0.00 H new ATOM 0 HA ASP A 74 9.169 -0.703 6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.037 1.124 8.043 1.00 0.00 H new ATOM 0 HB3 ASP A 74 9.195 0.154 9.235 1.00 0.00 H new ATOM 1114 N ARG A 75 6.720 -0.925 8.526 1.00 0.00 N ATOM 1115 CA ARG A 75 5.762 -1.847 9.126 1.00 0.00 C ATOM 1116 C ARG A 75 5.045 -2.661 8.052 1.00 0.00 C ATOM 1117 O ARG A 75 5.027 -3.890 8.100 1.00 0.00 O ATOM 1118 CB ARG A 75 4.740 -1.078 9.966 1.00 0.00 C ATOM 1119 CG ARG A 75 3.692 -1.968 10.614 1.00 0.00 C ATOM 1120 CD ARG A 75 4.309 -2.885 11.659 1.00 0.00 C ATOM 1121 NE ARG A 75 3.362 -3.224 12.717 1.00 0.00 N ATOM 1122 CZ ARG A 75 3.668 -3.989 13.760 1.00 0.00 C ATOM 1123 NH1 ARG A 75 4.889 -4.491 13.882 1.00 0.00 N ATOM 1124 NH2 ARG A 75 2.751 -4.253 14.682 1.00 0.00 N ATOM 0 H ARG A 75 6.553 0.058 8.743 1.00 0.00 H new ATOM 0 HA ARG A 75 6.310 -2.533 9.772 1.00 0.00 H new ATOM 0 HB2 ARG A 75 5.265 -0.524 10.744 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.241 -0.344 9.333 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.925 -1.349 11.079 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.198 -2.567 9.849 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.658 -3.799 11.178 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.182 -2.401 12.096 1.00 0.00 H new ATOM 0 HE ARG A 75 2.414 -2.854 12.652 1.00 0.00 H new ATOM 0 HH11 ARG A 75 5.596 -4.290 13.175 1.00 0.00 H new ATOM 0 HH12 ARG A 75 5.121 -5.078 14.683 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.811 -3.869 14.591 1.00 0.00 H new ATOM 0 HH22 ARG A 75 2.987 -4.840 15.482 1.00 0.00 H new ATOM 1138 N ALA A 76 4.455 -1.965 7.086 1.00 0.00 N ATOM 1139 CA ALA A 76 3.738 -2.623 6.000 1.00 0.00 C ATOM 1140 C ALA A 76 4.623 -3.648 5.300 1.00 0.00 C ATOM 1141 O ALA A 76 4.206 -4.781 5.059 1.00 0.00 O ATOM 1142 CB ALA A 76 3.229 -1.593 5.003 1.00 0.00 C ATOM 0 H ALA A 76 4.459 -0.946 7.033 1.00 0.00 H new ATOM 0 HA ALA A 76 2.885 -3.150 6.428 1.00 0.00 H new ATOM 0 HB1 ALA A 76 2.696 -2.099 4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.554 -0.901 5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 76 4.072 -1.040 4.589 1.00 0.00 H new ATOM 1148 N GLU A 77 5.847 -3.242 4.974 1.00 0.00 N ATOM 1149 CA GLU A 77 6.789 -4.127 4.299 1.00 0.00 C ATOM 1150 C GLU A 77 6.748 -5.528 4.901 1.00 0.00 C ATOM 1151 O GLU A 77 6.730 -6.526 4.181 1.00 0.00 O ATOM 1152 CB GLU A 77 8.208 -3.562 4.391 1.00 0.00 C ATOM 1153 CG GLU A 77 8.451 -2.374 3.475 1.00 0.00 C ATOM 1154 CD GLU A 77 9.926 -2.095 3.259 1.00 0.00 C ATOM 1155 OE1 GLU A 77 10.580 -2.879 2.539 1.00 0.00 O ATOM 1156 OE2 GLU A 77 10.427 -1.093 3.811 1.00 0.00 O ATOM 0 H GLU A 77 6.208 -2.308 5.166 1.00 0.00 H new ATOM 0 HA GLU A 77 6.498 -4.193 3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 77 8.405 -3.262 5.420 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.920 -4.350 4.147 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.975 -2.560 2.512 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.976 -1.490 3.900 1.00 0.00 H new ATOM 1163 N LYS A 78 6.735 -5.595 6.228 1.00 0.00 N ATOM 1164 CA LYS A 78 6.695 -6.872 6.930 1.00 0.00 C ATOM 1165 C LYS A 78 5.361 -7.576 6.704 1.00 0.00 C ATOM 1166 O LYS A 78 5.320 -8.774 6.419 1.00 0.00 O ATOM 1167 CB LYS A 78 6.925 -6.661 8.429 1.00 0.00 C ATOM 1168 CG LYS A 78 8.379 -6.416 8.792 1.00 0.00 C ATOM 1169 CD LYS A 78 9.191 -7.699 8.738 1.00 0.00 C ATOM 1170 CE LYS A 78 10.488 -7.572 9.524 1.00 0.00 C ATOM 1171 NZ LYS A 78 11.447 -8.660 9.190 1.00 0.00 N ATOM 0 H LYS A 78 6.752 -4.779 6.839 1.00 0.00 H new ATOM 0 HA LYS A 78 7.490 -7.502 6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 78 6.328 -5.813 8.764 1.00 0.00 H new ATOM 0 HB3 LYS A 78 6.567 -7.537 8.970 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.808 -5.684 8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 78 8.438 -5.989 9.793 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.600 -8.522 9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 78 9.416 -7.945 7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 78 10.947 -6.606 9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.270 -7.595 10.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 11.796 -9.096 10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.968 -9.380 8.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 12.248 -8.265 8.657 1.00 0.00 H new ATOM 1185 N LEU A 79 4.272 -6.826 6.832 1.00 0.00 N ATOM 1186 CA LEU A 79 2.935 -7.378 6.639 1.00 0.00 C ATOM 1187 C LEU A 79 2.839 -8.121 5.311 1.00 0.00 C ATOM 1188 O LEU A 79 2.030 -9.036 5.156 1.00 0.00 O ATOM 1189 CB LEU A 79 1.890 -6.262 6.689 1.00 0.00 C ATOM 1190 CG LEU A 79 1.538 -5.734 8.080 1.00 0.00 C ATOM 1191 CD1 LEU A 79 0.277 -4.885 8.025 1.00 0.00 C ATOM 1192 CD2 LEU A 79 1.365 -6.885 9.060 1.00 0.00 C ATOM 0 H LEU A 79 4.288 -5.834 7.069 1.00 0.00 H new ATOM 0 HA LEU A 79 2.741 -8.086 7.445 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.249 -5.428 6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.977 -6.626 6.218 1.00 0.00 H new ATOM 0 HG LEU A 79 2.359 -5.107 8.428 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.042 -4.518 9.024 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.437 -4.040 7.356 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.552 -5.489 7.656 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.115 -6.490 10.045 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.563 -7.538 8.716 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.293 -7.453 9.122 1.00 0.00 H new ATOM 1204 N LYS A 80 3.673 -7.725 4.355 1.00 0.00 N ATOM 1205 CA LYS A 80 3.686 -8.355 3.040 1.00 0.00 C ATOM 1206 C LYS A 80 4.459 -9.669 3.075 1.00 0.00 C ATOM 1207 O LYS A 80 3.985 -10.691 2.580 1.00 0.00 O ATOM 1208 CB LYS A 80 4.306 -7.413 2.006 1.00 0.00 C ATOM 1209 CG LYS A 80 3.837 -5.974 2.136 1.00 0.00 C ATOM 1210 CD LYS A 80 4.893 -4.997 1.647 1.00 0.00 C ATOM 1211 CE LYS A 80 4.736 -4.703 0.163 1.00 0.00 C ATOM 1212 NZ LYS A 80 5.464 -5.693 -0.679 1.00 0.00 N ATOM 0 H LYS A 80 4.349 -6.970 4.467 1.00 0.00 H new ATOM 0 HA LYS A 80 2.655 -8.567 2.756 1.00 0.00 H new ATOM 0 HB2 LYS A 80 5.391 -7.443 2.104 1.00 0.00 H new ATOM 0 HB3 LYS A 80 4.066 -7.776 1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.920 -5.836 1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.598 -5.761 3.178 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.820 -4.068 2.213 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.885 -5.408 1.835 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.678 -4.712 -0.099 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.109 -3.701 -0.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.027 -5.192 -1.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 6.095 -6.262 -0.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 4.779 -6.317 -1.151 1.00 0.00 H new ATOM 1226 N GLU A 81 5.650 -9.635 3.663 1.00 0.00 N ATOM 1227 CA GLU A 81 6.488 -10.824 3.762 1.00 0.00 C ATOM 1228 C GLU A 81 5.842 -11.871 4.665 1.00 0.00 C ATOM 1229 O GLU A 81 6.211 -13.045 4.635 1.00 0.00 O ATOM 1230 CB GLU A 81 7.873 -10.457 4.298 1.00 0.00 C ATOM 1231 CG GLU A 81 7.953 -10.438 5.815 1.00 0.00 C ATOM 1232 CD GLU A 81 9.366 -10.222 6.322 1.00 0.00 C ATOM 1233 OE1 GLU A 81 10.193 -9.681 5.559 1.00 0.00 O ATOM 1234 OE2 GLU A 81 9.644 -10.595 7.481 1.00 0.00 O ATOM 0 H GLU A 81 6.057 -8.797 4.078 1.00 0.00 H new ATOM 0 HA GLU A 81 6.594 -11.246 2.763 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.603 -11.169 3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.153 -9.475 3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.308 -9.648 6.199 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.570 -11.380 6.207 1.00 0.00 H new ATOM 1241 N TYR A 82 4.877 -11.436 5.468 1.00 0.00 N ATOM 1242 CA TYR A 82 4.181 -12.334 6.383 1.00 0.00 C ATOM 1243 C TYR A 82 2.946 -12.937 5.720 1.00 0.00 C ATOM 1244 O TYR A 82 2.575 -14.079 5.994 1.00 0.00 O ATOM 1245 CB TYR A 82 3.778 -11.587 7.655 1.00 0.00 C ATOM 1246 CG TYR A 82 2.549 -12.156 8.327 1.00 0.00 C ATOM 1247 CD1 TYR A 82 1.275 -11.833 7.877 1.00 0.00 C ATOM 1248 CD2 TYR A 82 2.661 -13.017 9.412 1.00 0.00 C ATOM 1249 CE1 TYR A 82 0.149 -12.349 8.488 1.00 0.00 C ATOM 1250 CE2 TYR A 82 1.541 -13.539 10.029 1.00 0.00 C ATOM 1251 CZ TYR A 82 0.287 -13.202 9.563 1.00 0.00 C ATOM 1252 OH TYR A 82 -0.832 -13.720 10.174 1.00 0.00 O ATOM 0 H TYR A 82 4.559 -10.468 5.504 1.00 0.00 H new ATOM 0 HA TYR A 82 4.862 -13.144 6.646 1.00 0.00 H new ATOM 0 HB2 TYR A 82 4.610 -11.610 8.359 1.00 0.00 H new ATOM 0 HB3 TYR A 82 3.596 -10.541 7.410 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.163 -11.167 7.034 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.641 -13.283 9.779 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -0.834 -12.086 8.126 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.646 -14.207 10.871 1.00 0.00 H new ATOM 0 HH TYR A 82 -0.561 -14.303 10.913 1.00 0.00 H new ATOM 1262 N LEU A 83 2.314 -12.161 4.847 1.00 0.00 N ATOM 1263 CA LEU A 83 1.120 -12.616 4.143 1.00 0.00 C ATOM 1264 C LEU A 83 1.477 -13.641 3.072 1.00 0.00 C ATOM 1265 O LEU A 83 0.683 -14.527 2.754 1.00 0.00 O ATOM 1266 CB LEU A 83 0.395 -11.429 3.507 1.00 0.00 C ATOM 1267 CG LEU A 83 -0.404 -10.541 4.462 1.00 0.00 C ATOM 1268 CD1 LEU A 83 -0.697 -9.194 3.819 1.00 0.00 C ATOM 1269 CD2 LEU A 83 -1.697 -11.229 4.875 1.00 0.00 C ATOM 0 H LEU A 83 2.608 -11.214 4.609 1.00 0.00 H new ATOM 0 HA LEU A 83 0.460 -13.091 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.133 -10.809 2.997 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.283 -11.810 2.743 1.00 0.00 H new ATOM 0 HG LEU A 83 0.195 -10.371 5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.266 -8.576 4.513 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.241 -8.696 3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -1.276 -9.344 2.908 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.252 -10.582 5.554 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -2.301 -11.430 3.990 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.465 -12.168 5.377 1.00 0.00 H new ATOM 1281 N LYS A 84 2.679 -13.517 2.518 1.00 0.00 N ATOM 1282 CA LYS A 84 3.145 -14.434 1.485 1.00 0.00 C ATOM 1283 C LYS A 84 3.759 -15.685 2.104 1.00 0.00 C ATOM 1284 O LYS A 84 4.067 -16.648 1.404 1.00 0.00 O ATOM 1285 CB LYS A 84 4.171 -13.742 0.584 1.00 0.00 C ATOM 1286 CG LYS A 84 5.429 -13.310 1.317 1.00 0.00 C ATOM 1287 CD LYS A 84 6.626 -13.253 0.383 1.00 0.00 C ATOM 1288 CE LYS A 84 6.566 -12.037 -0.528 1.00 0.00 C ATOM 1289 NZ LYS A 84 7.193 -10.841 0.101 1.00 0.00 N ATOM 0 H LYS A 84 3.348 -12.789 2.768 1.00 0.00 H new ATOM 0 HA LYS A 84 2.285 -14.732 0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.446 -14.418 -0.226 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.709 -12.868 0.126 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.271 -12.330 1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.634 -14.005 2.131 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.545 -13.225 0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.661 -14.160 -0.221 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.073 -12.261 -1.467 1.00 0.00 H new ATOM 0 HE3 LYS A 84 5.527 -11.816 -0.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 7.425 -10.143 -0.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.530 -10.419 0.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.063 -11.125 0.595 1.00 0.00 H new