USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 433 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 54 GLN : amide:sc= -6.91! C(o=-7.9!,f=-7.8!) USER MOD Set 1.2: A 58 TYR OH : rot 130:sc= -0.96 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 17 LYS NZ :NH3+ 177:sc= -2.56! (180deg=-2.77!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.68 USER MOD Single : A 37 GLN : amide:sc= -5.28! C(o=-5.3!,f=-4.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.129 K(o=-0.13,f=-2.2!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -129:sc= -2.08 (180deg=-3.99!) USER MOD Single : A 50 GLN : amide:sc= -0.158 K(o=-0.16,f=-1.3) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0735 X(o=-0.074,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 116 N TRP A 11 4.040 2.322 8.880 1.00 0.00 N ATOM 117 CA TRP A 11 2.613 2.068 9.043 1.00 0.00 C ATOM 118 C TRP A 11 2.345 1.264 10.310 1.00 0.00 C ATOM 119 O TRP A 11 3.274 0.808 10.978 1.00 0.00 O ATOM 120 CB TRP A 11 2.064 1.323 7.825 1.00 0.00 C ATOM 121 CG TRP A 11 1.987 2.173 6.594 1.00 0.00 C ATOM 122 CD1 TRP A 11 2.968 2.980 6.092 1.00 0.00 C ATOM 123 CD2 TRP A 11 0.868 2.302 5.710 1.00 0.00 C ATOM 124 NE1 TRP A 11 2.526 3.603 4.950 1.00 0.00 N ATOM 125 CE2 TRP A 11 1.241 3.203 4.694 1.00 0.00 C ATOM 126 CE3 TRP A 11 -0.413 1.743 5.678 1.00 0.00 C ATOM 127 CZ2 TRP A 11 0.379 3.557 3.659 1.00 0.00 C ATOM 128 CZ3 TRP A 11 -1.267 2.095 4.651 1.00 0.00 C ATOM 129 CH2 TRP A 11 -0.869 2.994 3.652 1.00 0.00 C ATOM 0 HA TRP A 11 2.106 3.029 9.131 1.00 0.00 H new ATOM 0 HB2 TRP A 11 2.696 0.458 7.622 1.00 0.00 H new ATOM 0 HB3 TRP A 11 1.069 0.943 8.058 1.00 0.00 H new ATOM 0 HD1 TRP A 11 3.947 3.109 6.529 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.067 4.257 4.384 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -0.729 1.049 6.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 0.684 4.251 2.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.259 1.670 4.617 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.560 3.247 2.862 1.00 0.00 H new ATOM 140 N THR A 12 1.068 1.092 10.638 1.00 0.00 N ATOM 141 CA THR A 12 0.677 0.344 11.826 1.00 0.00 C ATOM 142 C THR A 12 -0.151 -0.881 11.456 1.00 0.00 C ATOM 143 O THR A 12 -0.796 -0.914 10.408 1.00 0.00 O ATOM 144 CB THR A 12 -0.130 1.220 12.802 1.00 0.00 C ATOM 145 OG1 THR A 12 -0.382 0.500 14.013 1.00 0.00 O ATOM 146 CG2 THR A 12 -1.450 1.650 12.178 1.00 0.00 C ATOM 0 H THR A 12 0.286 1.461 10.097 1.00 0.00 H new ATOM 0 HA THR A 12 1.597 0.023 12.314 1.00 0.00 H new ATOM 0 HB THR A 12 0.456 2.111 13.025 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.894 1.065 14.629 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.003 2.268 12.886 1.00 0.00 H new ATOM 0 HG22 THR A 12 -1.254 2.223 11.272 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.039 0.768 11.929 1.00 0.00 H new ATOM 154 N VAL A 13 -0.130 -1.888 12.324 1.00 0.00 N ATOM 155 CA VAL A 13 -0.881 -3.116 12.089 1.00 0.00 C ATOM 156 C VAL A 13 -2.306 -2.811 11.642 1.00 0.00 C ATOM 157 O VAL A 13 -2.786 -3.358 10.650 1.00 0.00 O ATOM 158 CB VAL A 13 -0.928 -3.995 13.353 1.00 0.00 C ATOM 159 CG1 VAL A 13 -1.486 -3.209 14.530 1.00 0.00 C ATOM 160 CG2 VAL A 13 -1.752 -5.248 13.099 1.00 0.00 C ATOM 0 H VAL A 13 0.399 -1.878 13.196 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.363 -3.658 11.298 1.00 0.00 H new ATOM 0 HB VAL A 13 0.089 -4.300 13.601 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.512 -3.846 15.414 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.851 -2.345 14.724 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.496 -2.872 14.296 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.775 -5.858 14.002 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.769 -4.966 12.826 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.304 -5.820 12.287 1.00 0.00 H new ATOM 170 N GLU A 14 -2.977 -1.933 12.381 1.00 0.00 N ATOM 171 CA GLU A 14 -4.349 -1.556 12.060 1.00 0.00 C ATOM 172 C GLU A 14 -4.469 -1.136 10.597 1.00 0.00 C ATOM 173 O GLU A 14 -5.379 -1.568 9.890 1.00 0.00 O ATOM 174 CB GLU A 14 -4.814 -0.416 12.969 1.00 0.00 C ATOM 175 CG GLU A 14 -5.384 -0.890 14.295 1.00 0.00 C ATOM 176 CD GLU A 14 -6.569 -1.821 14.122 1.00 0.00 C ATOM 177 OE1 GLU A 14 -7.280 -1.692 13.103 1.00 0.00 O ATOM 178 OE2 GLU A 14 -6.785 -2.678 15.004 1.00 0.00 O ATOM 0 H GLU A 14 -2.594 -1.470 13.205 1.00 0.00 H new ATOM 0 HA GLU A 14 -4.986 -2.425 12.225 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -3.973 0.250 13.162 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.571 0.169 12.446 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -4.604 -1.402 14.859 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -5.689 -0.026 14.885 1.00 0.00 H new ATOM 185 N GLU A 15 -3.545 -0.290 10.153 1.00 0.00 N ATOM 186 CA GLU A 15 -3.549 0.189 8.775 1.00 0.00 C ATOM 187 C GLU A 15 -3.215 -0.940 7.805 1.00 0.00 C ATOM 188 O GLU A 15 -3.924 -1.158 6.823 1.00 0.00 O ATOM 189 CB GLU A 15 -2.547 1.334 8.607 1.00 0.00 C ATOM 190 CG GLU A 15 -2.990 2.631 9.263 1.00 0.00 C ATOM 191 CD GLU A 15 -1.830 3.563 9.554 1.00 0.00 C ATOM 192 OE1 GLU A 15 -0.935 3.682 8.691 1.00 0.00 O ATOM 193 OE2 GLU A 15 -1.817 4.173 10.643 1.00 0.00 O ATOM 0 H GLU A 15 -2.785 0.077 10.726 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.550 0.555 8.548 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.589 1.032 9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.385 1.511 7.544 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.704 3.137 8.613 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.511 2.404 10.193 1.00 0.00 H new ATOM 200 N GLN A 16 -2.131 -1.655 8.089 1.00 0.00 N ATOM 201 CA GLN A 16 -1.702 -2.761 7.241 1.00 0.00 C ATOM 202 C GLN A 16 -2.891 -3.618 6.822 1.00 0.00 C ATOM 203 O GLN A 16 -3.054 -3.939 5.644 1.00 0.00 O ATOM 204 CB GLN A 16 -0.670 -3.621 7.972 1.00 0.00 C ATOM 205 CG GLN A 16 0.717 -3.002 8.017 1.00 0.00 C ATOM 206 CD GLN A 16 1.714 -3.857 8.774 1.00 0.00 C ATOM 207 OE1 GLN A 16 1.339 -4.653 9.635 1.00 0.00 O ATOM 208 NE2 GLN A 16 2.994 -3.696 8.457 1.00 0.00 N ATOM 0 H GLN A 16 -1.534 -1.488 8.899 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.245 -2.343 6.344 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -1.013 -3.797 8.991 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.609 -4.594 7.484 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.075 -2.848 6.999 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.657 -2.020 8.486 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.260 -3.025 7.737 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.710 -4.244 8.934 1.00 0.00 H new ATOM 217 N LYS A 17 -3.721 -3.986 7.792 1.00 0.00 N ATOM 218 CA LYS A 17 -4.896 -4.806 7.525 1.00 0.00 C ATOM 219 C LYS A 17 -6.010 -3.972 6.899 1.00 0.00 C ATOM 220 O LYS A 17 -6.763 -4.457 6.055 1.00 0.00 O ATOM 221 CB LYS A 17 -5.396 -5.455 8.818 1.00 0.00 C ATOM 222 CG LYS A 17 -5.815 -4.452 9.879 1.00 0.00 C ATOM 223 CD LYS A 17 -6.546 -5.128 11.027 1.00 0.00 C ATOM 224 CE LYS A 17 -5.594 -5.936 11.895 1.00 0.00 C ATOM 225 NZ LYS A 17 -4.985 -5.106 12.972 1.00 0.00 N ATOM 0 H LYS A 17 -3.601 -3.729 8.772 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.610 -5.587 6.821 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -6.243 -6.101 8.586 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.610 -6.092 9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.934 -3.936 10.261 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.459 -3.695 9.431 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -7.045 -4.374 11.636 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.323 -5.782 10.630 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.131 -6.773 12.341 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.805 -6.359 11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.382 -5.704 13.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.410 -4.352 12.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.738 -4.682 13.551 1.00 0.00 H new ATOM 239 N LYS A 18 -6.108 -2.715 7.318 1.00 0.00 N ATOM 240 CA LYS A 18 -7.128 -1.812 6.797 1.00 0.00 C ATOM 241 C LYS A 18 -6.926 -1.566 5.305 1.00 0.00 C ATOM 242 O LYS A 18 -7.750 -1.966 4.482 1.00 0.00 O ATOM 243 CB LYS A 18 -7.094 -0.482 7.553 1.00 0.00 C ATOM 244 CG LYS A 18 -8.335 0.369 7.343 1.00 0.00 C ATOM 245 CD LYS A 18 -8.609 1.262 8.541 1.00 0.00 C ATOM 246 CE LYS A 18 -10.051 1.744 8.559 1.00 0.00 C ATOM 247 NZ LYS A 18 -10.941 0.805 9.296 1.00 0.00 N ATOM 0 H LYS A 18 -5.493 -2.298 8.017 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.101 -2.281 6.941 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -6.977 -0.682 8.618 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.218 0.084 7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.209 0.983 6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.195 -0.277 7.166 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.395 0.716 9.460 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -7.938 2.120 8.517 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -10.099 2.729 9.023 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -10.409 1.856 7.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.915 1.169 9.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.916 -0.129 8.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.615 0.717 10.280 1.00 0.00 H new ATOM 261 N LEU A 19 -5.824 -0.907 4.963 1.00 0.00 N ATOM 262 CA LEU A 19 -5.513 -0.609 3.569 1.00 0.00 C ATOM 263 C LEU A 19 -5.767 -1.824 2.683 1.00 0.00 C ATOM 264 O LEU A 19 -6.562 -1.765 1.745 1.00 0.00 O ATOM 265 CB LEU A 19 -4.057 -0.161 3.435 1.00 0.00 C ATOM 266 CG LEU A 19 -3.430 -0.320 2.050 1.00 0.00 C ATOM 267 CD1 LEU A 19 -4.055 0.656 1.066 1.00 0.00 C ATOM 268 CD2 LEU A 19 -1.923 -0.119 2.119 1.00 0.00 C ATOM 0 H LEU A 19 -5.131 -0.569 5.631 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.167 0.199 3.241 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.993 0.889 3.722 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.457 -0.724 4.150 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.625 -1.333 1.699 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.596 0.528 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.126 0.464 0.993 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -3.892 1.677 1.413 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.494 -0.236 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.706 0.882 2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.488 -0.859 2.791 1.00 0.00 H new ATOM 280 N GLU A 20 -5.087 -2.925 2.988 1.00 0.00 N ATOM 281 CA GLU A 20 -5.241 -4.155 2.219 1.00 0.00 C ATOM 282 C GLU A 20 -6.694 -4.355 1.798 1.00 0.00 C ATOM 283 O GLU A 20 -6.994 -4.485 0.611 1.00 0.00 O ATOM 284 CB GLU A 20 -4.765 -5.357 3.038 1.00 0.00 C ATOM 285 CG GLU A 20 -3.253 -5.486 3.107 1.00 0.00 C ATOM 286 CD GLU A 20 -2.803 -6.563 4.075 1.00 0.00 C ATOM 287 OE1 GLU A 20 -3.311 -7.700 3.975 1.00 0.00 O ATOM 288 OE2 GLU A 20 -1.944 -6.269 4.933 1.00 0.00 O ATOM 0 H GLU A 20 -4.425 -2.991 3.761 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.629 -4.071 1.321 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.161 -5.276 4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.180 -6.268 2.606 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.866 -5.711 2.113 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.824 -4.530 3.408 1.00 0.00 H new ATOM 295 N GLN A 21 -7.590 -4.379 2.779 1.00 0.00 N ATOM 296 CA GLN A 21 -9.011 -4.565 2.510 1.00 0.00 C ATOM 297 C GLN A 21 -9.545 -3.455 1.611 1.00 0.00 C ATOM 298 O GLN A 21 -10.309 -3.710 0.679 1.00 0.00 O ATOM 299 CB GLN A 21 -9.800 -4.599 3.820 1.00 0.00 C ATOM 300 CG GLN A 21 -9.834 -5.972 4.474 1.00 0.00 C ATOM 301 CD GLN A 21 -10.929 -6.857 3.915 1.00 0.00 C ATOM 302 OE1 GLN A 21 -11.475 -6.589 2.844 1.00 0.00 O ATOM 303 NE2 GLN A 21 -11.258 -7.922 4.638 1.00 0.00 N ATOM 0 H GLN A 21 -7.358 -4.272 3.766 1.00 0.00 H new ATOM 0 HA GLN A 21 -9.135 -5.517 1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.362 -3.884 4.517 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.822 -4.272 3.628 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.870 -6.461 4.334 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -9.979 -5.855 5.548 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -10.780 -8.107 5.520 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -11.988 -8.555 4.311 1.00 0.00 H new ATOM 312 N LEU A 22 -9.138 -2.223 1.896 1.00 0.00 N ATOM 313 CA LEU A 22 -9.575 -1.072 1.113 1.00 0.00 C ATOM 314 C LEU A 22 -9.171 -1.224 -0.350 1.00 0.00 C ATOM 315 O LEU A 22 -9.922 -0.856 -1.255 1.00 0.00 O ATOM 316 CB LEU A 22 -8.983 0.216 1.687 1.00 0.00 C ATOM 317 CG LEU A 22 -9.657 0.761 2.946 1.00 0.00 C ATOM 318 CD1 LEU A 22 -8.750 1.761 3.647 1.00 0.00 C ATOM 319 CD2 LEU A 22 -10.993 1.402 2.601 1.00 0.00 C ATOM 0 H LEU A 22 -8.506 -1.995 2.664 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.662 -1.019 1.167 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.930 0.041 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.022 0.985 0.916 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.840 -0.071 3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.247 2.138 4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.818 1.271 3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -8.535 2.591 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.458 1.784 3.509 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.833 2.223 1.902 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.646 0.659 2.144 1.00 0.00 H new ATOM 331 N LEU A 23 -7.980 -1.769 -0.576 1.00 0.00 N ATOM 332 CA LEU A 23 -7.476 -1.971 -1.930 1.00 0.00 C ATOM 333 C LEU A 23 -8.473 -2.764 -2.769 1.00 0.00 C ATOM 334 O LEU A 23 -8.834 -2.354 -3.873 1.00 0.00 O ATOM 335 CB LEU A 23 -6.132 -2.700 -1.890 1.00 0.00 C ATOM 336 CG LEU A 23 -4.936 -1.877 -1.411 1.00 0.00 C ATOM 337 CD1 LEU A 23 -3.728 -2.773 -1.186 1.00 0.00 C ATOM 338 CD2 LEU A 23 -4.608 -0.779 -2.413 1.00 0.00 C ATOM 0 H LEU A 23 -7.346 -2.079 0.161 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.339 -0.993 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.232 -3.570 -1.241 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.914 -3.073 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.198 -1.409 -0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.886 -2.170 -0.845 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.966 -3.523 -0.431 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.464 -3.269 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.754 -0.203 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.366 -1.227 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.469 -0.120 -2.525 1.00 0.00 H new ATOM 350 N ILE A 24 -8.916 -3.898 -2.238 1.00 0.00 N ATOM 351 CA ILE A 24 -9.873 -4.746 -2.937 1.00 0.00 C ATOM 352 C ILE A 24 -11.262 -4.115 -2.947 1.00 0.00 C ATOM 353 O ILE A 24 -11.945 -4.105 -3.971 1.00 0.00 O ATOM 354 CB ILE A 24 -9.961 -6.144 -2.297 1.00 0.00 C ATOM 355 CG1 ILE A 24 -8.579 -6.800 -2.261 1.00 0.00 C ATOM 356 CG2 ILE A 24 -10.948 -7.015 -3.059 1.00 0.00 C ATOM 357 CD1 ILE A 24 -7.778 -6.455 -1.025 1.00 0.00 C ATOM 0 H ILE A 24 -8.627 -4.251 -1.326 1.00 0.00 H new ATOM 0 HA ILE A 24 -9.515 -4.847 -3.961 1.00 0.00 H new ATOM 0 HB ILE A 24 -10.318 -6.037 -1.273 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -8.698 -7.882 -2.317 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.018 -6.495 -3.144 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -10.999 -8.000 -2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -11.935 -6.552 -3.037 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.619 -7.118 -4.093 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.810 -6.955 -1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.628 -5.376 -0.978 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -8.318 -6.785 -0.138 1.00 0.00 H new ATOM 369 N LYS A 25 -11.673 -3.587 -1.799 1.00 0.00 N ATOM 370 CA LYS A 25 -12.979 -2.950 -1.673 1.00 0.00 C ATOM 371 C LYS A 25 -13.135 -1.824 -2.691 1.00 0.00 C ATOM 372 O LYS A 25 -14.229 -1.583 -3.201 1.00 0.00 O ATOM 373 CB LYS A 25 -13.168 -2.402 -0.257 1.00 0.00 C ATOM 374 CG LYS A 25 -14.430 -1.575 -0.089 1.00 0.00 C ATOM 375 CD LYS A 25 -14.282 -0.551 1.024 1.00 0.00 C ATOM 376 CE LYS A 25 -15.576 0.213 1.255 1.00 0.00 C ATOM 377 NZ LYS A 25 -16.500 -0.522 2.163 1.00 0.00 N ATOM 0 H LYS A 25 -11.120 -3.588 -0.942 1.00 0.00 H new ATOM 0 HA LYS A 25 -13.743 -3.702 -1.869 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.193 -3.235 0.446 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.305 -1.790 0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -14.660 -1.066 -1.025 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.271 -2.233 0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.986 -1.053 1.945 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.485 0.149 0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.349 1.190 1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -16.070 0.389 0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -17.370 0.032 2.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -16.737 -1.444 1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.039 -0.667 3.084 1.00 0.00 H new ATOM 391 N TYR A 26 -12.034 -1.140 -2.982 1.00 0.00 N ATOM 392 CA TYR A 26 -12.050 -0.039 -3.938 1.00 0.00 C ATOM 393 C TYR A 26 -11.660 -0.522 -5.331 1.00 0.00 C ATOM 394 O TYR A 26 -10.583 -1.080 -5.545 1.00 0.00 O ATOM 395 CB TYR A 26 -11.098 1.070 -3.485 1.00 0.00 C ATOM 396 CG TYR A 26 -11.717 2.034 -2.498 1.00 0.00 C ATOM 397 CD1 TYR A 26 -11.897 1.677 -1.168 1.00 0.00 C ATOM 398 CD2 TYR A 26 -12.122 3.302 -2.897 1.00 0.00 C ATOM 399 CE1 TYR A 26 -12.463 2.554 -0.263 1.00 0.00 C ATOM 400 CE2 TYR A 26 -12.687 4.187 -1.999 1.00 0.00 C ATOM 401 CZ TYR A 26 -12.856 3.808 -0.683 1.00 0.00 C ATOM 402 OH TYR A 26 -13.419 4.685 0.215 1.00 0.00 O ATOM 0 H TYR A 26 -11.120 -1.328 -2.570 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.065 0.357 -3.982 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -10.215 0.617 -3.033 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.759 1.626 -4.359 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.589 0.697 -0.835 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -11.993 3.601 -3.927 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.597 2.260 0.767 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.995 5.170 -2.325 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.638 5.524 -0.241 1.00 0.00 H new ATOM 412 N PRO A 27 -12.556 -0.302 -6.305 1.00 0.00 N ATOM 413 CA PRO A 27 -12.329 -0.705 -7.696 1.00 0.00 C ATOM 414 C PRO A 27 -11.245 0.128 -8.371 1.00 0.00 C ATOM 415 O PRO A 27 -10.783 1.138 -7.840 1.00 0.00 O ATOM 416 CB PRO A 27 -13.685 -0.459 -8.362 1.00 0.00 C ATOM 417 CG PRO A 27 -14.330 0.595 -7.531 1.00 0.00 C ATOM 418 CD PRO A 27 -13.860 0.358 -6.122 1.00 0.00 C ATOM 0 HA PRO A 27 -11.983 -1.736 -7.771 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.565 -0.131 -9.394 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -14.286 -1.368 -8.384 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.047 1.590 -7.874 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -15.416 0.532 -7.596 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.764 1.292 -5.568 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -14.555 -0.272 -5.567 1.00 0.00 H new ATOM 426 N PRO A 28 -10.829 -0.303 -9.571 1.00 0.00 N ATOM 427 CA PRO A 28 -9.795 0.390 -10.346 1.00 0.00 C ATOM 428 C PRO A 28 -10.276 1.733 -10.885 1.00 0.00 C ATOM 429 O PRO A 28 -11.472 2.022 -10.875 1.00 0.00 O ATOM 430 CB PRO A 28 -9.507 -0.577 -11.497 1.00 0.00 C ATOM 431 CG PRO A 28 -10.758 -1.370 -11.647 1.00 0.00 C ATOM 432 CD PRO A 28 -11.336 -1.498 -10.265 1.00 0.00 C ATOM 0 HA PRO A 28 -8.920 0.625 -9.740 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.266 -0.040 -12.414 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -8.656 -1.219 -11.271 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.458 -0.872 -12.318 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -10.549 -2.351 -12.075 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -12.426 -1.519 -10.286 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.009 -2.416 -9.776 1.00 0.00 H new ATOM 440 N GLU A 29 -9.337 2.548 -11.355 1.00 0.00 N ATOM 441 CA GLU A 29 -9.668 3.860 -11.899 1.00 0.00 C ATOM 442 C GLU A 29 -8.837 4.158 -13.144 1.00 0.00 C ATOM 443 O GLU A 29 -8.045 3.328 -13.587 1.00 0.00 O ATOM 444 CB GLU A 29 -9.436 4.945 -10.846 1.00 0.00 C ATOM 445 CG GLU A 29 -7.967 5.219 -10.566 1.00 0.00 C ATOM 446 CD GLU A 29 -7.086 4.018 -10.850 1.00 0.00 C ATOM 447 OE1 GLU A 29 -7.251 2.987 -10.164 1.00 0.00 O ATOM 448 OE2 GLU A 29 -6.232 4.109 -11.756 1.00 0.00 O ATOM 0 H GLU A 29 -8.342 2.323 -11.370 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.721 3.854 -12.179 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.912 5.868 -11.177 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.925 4.649 -9.918 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.636 6.060 -11.175 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.848 5.514 -9.523 1.00 0.00 H new ATOM 455 N GLU A 30 -9.027 5.349 -13.703 1.00 0.00 N ATOM 456 CA GLU A 30 -8.296 5.756 -14.898 1.00 0.00 C ATOM 457 C GLU A 30 -6.828 6.020 -14.575 1.00 0.00 C ATOM 458 O GLU A 30 -5.933 5.547 -15.274 1.00 0.00 O ATOM 459 CB GLU A 30 -8.929 7.009 -15.507 1.00 0.00 C ATOM 460 CG GLU A 30 -8.290 7.439 -16.817 1.00 0.00 C ATOM 461 CD GLU A 30 -8.555 8.895 -17.146 1.00 0.00 C ATOM 462 OE1 GLU A 30 -8.484 9.735 -16.225 1.00 0.00 O ATOM 463 OE2 GLU A 30 -8.835 9.194 -18.326 1.00 0.00 O ATOM 0 H GLU A 30 -9.680 6.048 -13.348 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.350 4.942 -15.621 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -9.990 6.825 -15.673 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.856 7.827 -14.791 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.214 7.273 -16.764 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.670 6.813 -17.625 1.00 0.00 H new ATOM 470 N VAL A 31 -6.590 6.779 -13.510 1.00 0.00 N ATOM 471 CA VAL A 31 -5.232 7.106 -13.093 1.00 0.00 C ATOM 472 C VAL A 31 -4.930 6.539 -11.710 1.00 0.00 C ATOM 473 O VAL A 31 -5.569 6.906 -10.725 1.00 0.00 O ATOM 474 CB VAL A 31 -5.002 8.629 -13.072 1.00 0.00 C ATOM 475 CG1 VAL A 31 -3.537 8.945 -12.813 1.00 0.00 C ATOM 476 CG2 VAL A 31 -5.469 9.256 -14.377 1.00 0.00 C ATOM 0 H VAL A 31 -7.320 7.179 -12.920 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.560 6.654 -13.823 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.589 9.056 -12.259 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.394 10.026 -12.802 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.240 8.530 -11.850 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.925 8.506 -13.601 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.299 10.332 -14.345 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.911 8.825 -15.208 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.532 9.061 -14.514 1.00 0.00 H new ATOM 486 N GLU A 32 -3.951 5.642 -11.646 1.00 0.00 N ATOM 487 CA GLU A 32 -3.565 5.023 -10.383 1.00 0.00 C ATOM 488 C GLU A 32 -3.750 5.996 -9.222 1.00 0.00 C ATOM 489 O GLU A 32 -4.574 5.772 -8.336 1.00 0.00 O ATOM 490 CB GLU A 32 -2.109 4.555 -10.443 1.00 0.00 C ATOM 491 CG GLU A 32 -1.829 3.330 -9.590 1.00 0.00 C ATOM 492 CD GLU A 32 -0.346 3.047 -9.444 1.00 0.00 C ATOM 493 OE1 GLU A 32 0.238 2.445 -10.368 1.00 0.00 O ATOM 494 OE2 GLU A 32 0.231 3.430 -8.404 1.00 0.00 O ATOM 0 H GLU A 32 -3.411 5.328 -12.453 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.210 4.160 -10.218 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.850 4.334 -11.478 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -1.461 5.369 -10.119 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -2.267 3.472 -8.602 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.318 2.463 -10.034 1.00 0.00 H new ATOM 501 N SER A 33 -2.976 7.077 -9.234 1.00 0.00 N ATOM 502 CA SER A 33 -3.050 8.082 -8.180 1.00 0.00 C ATOM 503 C SER A 33 -4.487 8.255 -7.695 1.00 0.00 C ATOM 504 O SER A 33 -4.776 8.099 -6.509 1.00 0.00 O ATOM 505 CB SER A 33 -2.504 9.420 -8.683 1.00 0.00 C ATOM 506 OG SER A 33 -3.519 10.178 -9.318 1.00 0.00 O ATOM 0 H SER A 33 -2.291 7.279 -9.962 1.00 0.00 H new ATOM 0 HA SER A 33 -2.441 7.741 -7.343 1.00 0.00 H new ATOM 0 HB2 SER A 33 -2.092 9.986 -7.847 1.00 0.00 H new ATOM 0 HB3 SER A 33 -1.686 9.243 -9.382 1.00 0.00 H new ATOM 0 HG SER A 33 -3.146 11.029 -9.629 1.00 0.00 H new ATOM 512 N ARG A 34 -5.382 8.580 -8.622 1.00 0.00 N ATOM 513 CA ARG A 34 -6.788 8.777 -8.291 1.00 0.00 C ATOM 514 C ARG A 34 -7.255 7.744 -7.270 1.00 0.00 C ATOM 515 O ARG A 34 -7.831 8.092 -6.239 1.00 0.00 O ATOM 516 CB ARG A 34 -7.648 8.689 -9.553 1.00 0.00 C ATOM 517 CG ARG A 34 -7.236 9.667 -10.641 1.00 0.00 C ATOM 518 CD ARG A 34 -7.982 10.986 -10.516 1.00 0.00 C ATOM 519 NE ARG A 34 -7.856 11.802 -11.720 1.00 0.00 N ATOM 520 CZ ARG A 34 -8.526 12.933 -11.915 1.00 0.00 C ATOM 521 NH1 ARG A 34 -9.364 13.378 -10.990 1.00 0.00 N ATOM 522 NH2 ARG A 34 -8.357 13.620 -13.038 1.00 0.00 N ATOM 0 H ARG A 34 -5.158 8.712 -9.608 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.898 9.770 -7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.594 7.675 -9.949 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -8.689 8.873 -9.287 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -6.163 9.848 -10.582 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.432 9.228 -11.619 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.036 10.789 -10.320 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -7.597 11.541 -9.660 1.00 0.00 H new ATOM 0 HE ARG A 34 -7.219 11.487 -12.452 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -9.496 12.852 -10.126 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -9.877 14.246 -11.142 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -7.713 13.280 -13.752 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.872 14.488 -13.187 1.00 0.00 H new ATOM 536 N ARG A 35 -7.004 6.472 -7.565 1.00 0.00 N ATOM 537 CA ARG A 35 -7.401 5.389 -6.674 1.00 0.00 C ATOM 538 C ARG A 35 -6.893 5.636 -5.257 1.00 0.00 C ATOM 539 O ARG A 35 -7.678 5.863 -4.337 1.00 0.00 O ATOM 540 CB ARG A 35 -6.867 4.052 -7.193 1.00 0.00 C ATOM 541 CG ARG A 35 -7.184 2.876 -6.285 1.00 0.00 C ATOM 542 CD ARG A 35 -6.865 1.550 -6.958 1.00 0.00 C ATOM 543 NE ARG A 35 -6.996 0.423 -6.038 1.00 0.00 N ATOM 544 CZ ARG A 35 -6.901 -0.847 -6.414 1.00 0.00 C ATOM 545 NH1 ARG A 35 -6.674 -1.151 -7.684 1.00 0.00 N ATOM 546 NH2 ARG A 35 -7.033 -1.817 -5.518 1.00 0.00 N ATOM 0 H ARG A 35 -6.528 6.167 -8.414 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.490 5.353 -6.649 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.287 3.861 -8.180 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.786 4.125 -7.315 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.612 2.963 -5.362 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.238 2.901 -6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -7.533 1.404 -7.807 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.850 1.579 -7.353 1.00 0.00 H new ATOM 0 HE ARG A 35 -7.170 0.622 -5.053 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.572 -0.408 -8.376 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.602 -2.128 -7.970 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.208 -1.587 -4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.960 -2.792 -5.808 1.00 0.00 H new ATOM 560 N TRP A 36 -5.576 5.591 -5.090 1.00 0.00 N ATOM 561 CA TRP A 36 -4.963 5.809 -3.785 1.00 0.00 C ATOM 562 C TRP A 36 -5.590 7.009 -3.084 1.00 0.00 C ATOM 563 O TRP A 36 -5.933 6.940 -1.904 1.00 0.00 O ATOM 564 CB TRP A 36 -3.456 6.021 -3.935 1.00 0.00 C ATOM 565 CG TRP A 36 -2.829 5.122 -4.959 1.00 0.00 C ATOM 566 CD1 TRP A 36 -1.904 5.473 -5.900 1.00 0.00 C ATOM 567 CD2 TRP A 36 -3.085 3.726 -5.144 1.00 0.00 C ATOM 568 NE1 TRP A 36 -1.568 4.378 -6.659 1.00 0.00 N ATOM 569 CE2 TRP A 36 -2.278 3.294 -6.215 1.00 0.00 C ATOM 570 CE3 TRP A 36 -3.914 2.798 -4.509 1.00 0.00 C ATOM 571 CZ2 TRP A 36 -2.280 1.976 -6.663 1.00 0.00 C ATOM 572 CZ3 TRP A 36 -3.915 1.490 -4.955 1.00 0.00 C ATOM 573 CH2 TRP A 36 -3.102 1.088 -6.023 1.00 0.00 C ATOM 0 H TRP A 36 -4.912 5.406 -5.842 1.00 0.00 H new ATOM 0 HA TRP A 36 -5.139 4.922 -3.176 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.268 7.059 -4.209 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.975 5.853 -2.971 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -1.497 6.465 -6.029 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -0.898 4.373 -7.428 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.543 3.098 -3.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.655 1.665 -7.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.553 0.765 -4.472 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -3.124 0.058 -6.347 1.00 0.00 H new ATOM 584 N GLN A 37 -5.736 8.108 -3.817 1.00 0.00 N ATOM 585 CA GLN A 37 -6.321 9.324 -3.263 1.00 0.00 C ATOM 586 C GLN A 37 -7.628 9.018 -2.540 1.00 0.00 C ATOM 587 O GLN A 37 -7.961 9.653 -1.540 1.00 0.00 O ATOM 588 CB GLN A 37 -6.565 10.348 -4.372 1.00 0.00 C ATOM 589 CG GLN A 37 -7.343 11.570 -3.911 1.00 0.00 C ATOM 590 CD GLN A 37 -7.084 11.912 -2.457 1.00 0.00 C ATOM 591 OE1 GLN A 37 -8.016 12.155 -1.689 1.00 0.00 O ATOM 592 NE2 GLN A 37 -5.814 11.931 -2.070 1.00 0.00 N ATOM 0 H GLN A 37 -5.457 8.182 -4.795 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.617 9.741 -2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.605 10.670 -4.776 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -7.108 9.867 -5.186 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.075 12.423 -4.534 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.409 11.393 -4.054 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.074 11.723 -2.740 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -5.579 12.153 -1.103 1.00 0.00 H new ATOM 601 N LYS A 38 -8.368 8.040 -3.054 1.00 0.00 N ATOM 602 CA LYS A 38 -9.639 7.648 -2.457 1.00 0.00 C ATOM 603 C LYS A 38 -9.416 6.829 -1.190 1.00 0.00 C ATOM 604 O LYS A 38 -9.857 7.213 -0.106 1.00 0.00 O ATOM 605 CB LYS A 38 -10.469 6.842 -3.459 1.00 0.00 C ATOM 606 CG LYS A 38 -10.774 7.595 -4.742 1.00 0.00 C ATOM 607 CD LYS A 38 -11.369 6.679 -5.798 1.00 0.00 C ATOM 608 CE LYS A 38 -11.100 7.199 -7.202 1.00 0.00 C ATOM 609 NZ LYS A 38 -12.083 8.243 -7.605 1.00 0.00 N ATOM 0 H LYS A 38 -8.109 7.505 -3.883 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.182 8.555 -2.191 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.935 5.924 -3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -11.407 6.549 -2.988 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -11.469 8.408 -4.531 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.860 8.048 -5.125 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -10.949 5.679 -5.692 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.444 6.591 -5.641 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.092 7.612 -7.250 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.139 6.371 -7.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.866 8.572 -8.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -13.043 7.843 -7.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -12.028 9.045 -6.945 1.00 0.00 H new ATOM 623 N ILE A 39 -8.729 5.701 -1.333 1.00 0.00 N ATOM 624 CA ILE A 39 -8.445 4.830 -0.199 1.00 0.00 C ATOM 625 C ILE A 39 -7.894 5.625 0.979 1.00 0.00 C ATOM 626 O ILE A 39 -8.271 5.393 2.128 1.00 0.00 O ATOM 627 CB ILE A 39 -7.440 3.726 -0.575 1.00 0.00 C ATOM 628 CG1 ILE A 39 -8.084 2.726 -1.539 1.00 0.00 C ATOM 629 CG2 ILE A 39 -6.940 3.017 0.675 1.00 0.00 C ATOM 630 CD1 ILE A 39 -7.081 1.946 -2.359 1.00 0.00 C ATOM 0 H ILE A 39 -8.359 5.368 -2.223 1.00 0.00 H new ATOM 0 HA ILE A 39 -9.389 4.367 0.088 1.00 0.00 H new ATOM 0 HB ILE A 39 -6.587 4.186 -1.074 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.697 2.028 -0.969 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.753 3.262 -2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.230 2.239 0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.448 3.737 1.329 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.783 2.566 1.199 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -7.608 1.257 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.484 2.636 -2.956 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.427 1.382 -1.694 1.00 0.00 H new ATOM 642 N ALA A 40 -6.999 6.563 0.687 1.00 0.00 N ATOM 643 CA ALA A 40 -6.398 7.395 1.722 1.00 0.00 C ATOM 644 C ALA A 40 -7.468 8.069 2.574 1.00 0.00 C ATOM 645 O ALA A 40 -7.465 7.951 3.799 1.00 0.00 O ATOM 646 CB ALA A 40 -5.484 8.438 1.096 1.00 0.00 C ATOM 0 H ALA A 40 -6.674 6.766 -0.258 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.805 6.752 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.042 9.052 1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.693 7.939 0.536 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.062 9.071 0.422 1.00 0.00 H new ATOM 652 N ASP A 41 -8.381 8.777 1.918 1.00 0.00 N ATOM 653 CA ASP A 41 -9.457 9.470 2.617 1.00 0.00 C ATOM 654 C ASP A 41 -9.990 8.625 3.769 1.00 0.00 C ATOM 655 O ASP A 41 -10.150 9.114 4.887 1.00 0.00 O ATOM 656 CB ASP A 41 -10.591 9.805 1.646 1.00 0.00 C ATOM 657 CG ASP A 41 -11.432 10.974 2.119 1.00 0.00 C ATOM 658 OD1 ASP A 41 -10.901 12.104 2.173 1.00 0.00 O ATOM 659 OD2 ASP A 41 -12.621 10.761 2.434 1.00 0.00 O ATOM 0 H ASP A 41 -8.397 8.886 0.904 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.054 10.396 3.027 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -10.171 10.036 0.667 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.228 8.930 1.521 1.00 0.00 H new ATOM 664 N GLU A 42 -10.265 7.355 3.488 1.00 0.00 N ATOM 665 CA GLU A 42 -10.782 6.443 4.501 1.00 0.00 C ATOM 666 C GLU A 42 -9.837 6.367 5.697 1.00 0.00 C ATOM 667 O GLU A 42 -10.248 6.568 6.841 1.00 0.00 O ATOM 668 CB GLU A 42 -10.985 5.048 3.908 1.00 0.00 C ATOM 669 CG GLU A 42 -12.367 4.834 3.313 1.00 0.00 C ATOM 670 CD GLU A 42 -13.445 4.709 4.372 1.00 0.00 C ATOM 671 OE1 GLU A 42 -13.624 3.596 4.909 1.00 0.00 O ATOM 672 OE2 GLU A 42 -14.109 5.726 4.664 1.00 0.00 O ATOM 0 H GLU A 42 -10.138 6.935 2.567 1.00 0.00 H new ATOM 0 HA GLU A 42 -11.743 6.827 4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.236 4.879 3.135 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.814 4.304 4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.607 5.667 2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -12.359 3.933 2.700 1.00 0.00 H new ATOM 679 N LEU A 43 -8.570 6.075 5.425 1.00 0.00 N ATOM 680 CA LEU A 43 -7.566 5.971 6.478 1.00 0.00 C ATOM 681 C LEU A 43 -7.496 7.258 7.293 1.00 0.00 C ATOM 682 O LEU A 43 -7.517 7.228 8.522 1.00 0.00 O ATOM 683 CB LEU A 43 -6.195 5.662 5.873 1.00 0.00 C ATOM 684 CG LEU A 43 -6.029 4.270 5.263 1.00 0.00 C ATOM 685 CD1 LEU A 43 -4.800 4.222 4.368 1.00 0.00 C ATOM 686 CD2 LEU A 43 -5.935 3.216 6.356 1.00 0.00 C ATOM 0 H LEU A 43 -8.214 5.906 4.484 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.855 5.157 7.143 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.986 6.402 5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.441 5.789 6.649 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.907 4.055 4.653 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.698 3.223 3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.907 4.950 3.564 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.913 4.458 4.955 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.817 2.232 5.903 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.076 3.428 6.993 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.844 3.233 6.957 1.00 0.00 H new ATOM 698 N GLY A 44 -7.415 8.389 6.598 1.00 0.00 N ATOM 699 CA GLY A 44 -7.346 9.671 7.274 1.00 0.00 C ATOM 700 C GLY A 44 -5.931 10.041 7.673 1.00 0.00 C ATOM 701 O GLY A 44 -5.576 11.219 7.703 1.00 0.00 O ATOM 0 H GLY A 44 -7.396 8.440 5.579 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -7.750 10.445 6.621 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.976 9.644 8.163 1.00 0.00 H new ATOM 705 N ASN A 45 -5.122 9.033 7.980 1.00 0.00 N ATOM 706 CA ASN A 45 -3.738 9.259 8.381 1.00 0.00 C ATOM 707 C ASN A 45 -2.802 9.169 7.180 1.00 0.00 C ATOM 708 O ASN A 45 -1.883 9.975 7.034 1.00 0.00 O ATOM 709 CB ASN A 45 -3.320 8.241 9.444 1.00 0.00 C ATOM 710 CG ASN A 45 -4.212 8.287 10.670 1.00 0.00 C ATOM 711 OD1 ASN A 45 -5.124 9.109 10.758 1.00 0.00 O ATOM 712 ND2 ASN A 45 -3.951 7.401 11.625 1.00 0.00 N ATOM 0 H ASN A 45 -5.400 8.052 7.959 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.667 10.263 8.800 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.348 7.239 9.015 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.289 8.432 9.741 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.517 7.384 12.473 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.185 6.738 11.510 1.00 0.00 H new ATOM 719 N ARG A 46 -3.042 8.183 6.322 1.00 0.00 N ATOM 720 CA ARG A 46 -2.221 7.987 5.133 1.00 0.00 C ATOM 721 C ARG A 46 -2.725 8.845 3.977 1.00 0.00 C ATOM 722 O ARG A 46 -3.872 9.294 3.975 1.00 0.00 O ATOM 723 CB ARG A 46 -2.219 6.512 4.726 1.00 0.00 C ATOM 724 CG ARG A 46 -1.430 5.620 5.670 1.00 0.00 C ATOM 725 CD ARG A 46 0.042 5.999 5.695 1.00 0.00 C ATOM 726 NE ARG A 46 0.304 7.118 6.597 1.00 0.00 N ATOM 727 CZ ARG A 46 1.501 7.671 6.753 1.00 0.00 C ATOM 728 NH1 ARG A 46 2.541 7.213 6.070 1.00 0.00 N ATOM 729 NH2 ARG A 46 1.660 8.686 7.593 1.00 0.00 N ATOM 0 H ARG A 46 -3.799 7.507 6.428 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.202 8.292 5.371 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -3.248 6.156 4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -1.804 6.422 3.722 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -1.844 5.697 6.676 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -1.534 4.580 5.361 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.633 5.137 6.005 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.366 6.262 4.688 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.475 7.495 7.136 1.00 0.00 H new ATOM 0 HH11 ARG A 46 2.423 6.434 5.423 1.00 0.00 H new ATOM 0 HH12 ARG A 46 3.459 7.640 6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.862 9.042 8.120 1.00 0.00 H new ATOM 0 HH22 ARG A 46 2.580 9.110 7.712 1.00 0.00 H new ATOM 743 N THR A 47 -1.860 9.069 2.992 1.00 0.00 N ATOM 744 CA THR A 47 -2.216 9.874 1.831 1.00 0.00 C ATOM 745 C THR A 47 -1.977 9.107 0.535 1.00 0.00 C ATOM 746 O THR A 47 -1.188 8.163 0.499 1.00 0.00 O ATOM 747 CB THR A 47 -1.414 11.189 1.791 1.00 0.00 C ATOM 748 OG1 THR A 47 -0.141 10.968 1.173 1.00 0.00 O ATOM 749 CG2 THR A 47 -1.213 11.743 3.193 1.00 0.00 C ATOM 0 H THR A 47 -0.908 8.704 2.976 1.00 0.00 H new ATOM 0 HA THR A 47 -3.277 10.107 1.922 1.00 0.00 H new ATOM 0 HB THR A 47 -1.979 11.916 1.208 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.362 11.809 1.150 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.644 12.671 3.139 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.183 11.938 3.650 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.667 11.018 3.796 1.00 0.00 H new ATOM 757 N ALA A 48 -2.662 9.519 -0.526 1.00 0.00 N ATOM 758 CA ALA A 48 -2.522 8.871 -1.824 1.00 0.00 C ATOM 759 C ALA A 48 -1.093 8.384 -2.043 1.00 0.00 C ATOM 760 O ALA A 48 -0.869 7.232 -2.413 1.00 0.00 O ATOM 761 CB ALA A 48 -2.933 9.824 -2.937 1.00 0.00 C ATOM 0 H ALA A 48 -3.320 10.299 -0.512 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.181 8.003 -1.842 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.823 9.327 -3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.973 10.120 -2.797 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.298 10.709 -2.911 1.00 0.00 H new ATOM 767 N LYS A 49 -0.130 9.270 -1.813 1.00 0.00 N ATOM 768 CA LYS A 49 1.278 8.931 -1.985 1.00 0.00 C ATOM 769 C LYS A 49 1.662 7.742 -1.110 1.00 0.00 C ATOM 770 O LYS A 49 1.937 6.653 -1.614 1.00 0.00 O ATOM 771 CB LYS A 49 2.159 10.135 -1.642 1.00 0.00 C ATOM 772 CG LYS A 49 2.413 11.058 -2.822 1.00 0.00 C ATOM 773 CD LYS A 49 3.662 10.653 -3.587 1.00 0.00 C ATOM 774 CE LYS A 49 3.440 9.373 -4.378 1.00 0.00 C ATOM 775 NZ LYS A 49 3.792 8.163 -3.585 1.00 0.00 N ATOM 0 H LYS A 49 -0.299 10.228 -1.507 1.00 0.00 H new ATOM 0 HA LYS A 49 1.435 8.658 -3.028 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.687 10.704 -0.841 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.115 9.778 -1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.553 11.039 -3.491 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.519 12.083 -2.467 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.951 11.456 -4.265 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.488 10.512 -2.889 1.00 0.00 H new ATOM 0 HE2 LYS A 49 2.396 9.314 -4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.041 9.399 -5.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.433 7.560 -4.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.262 8.451 -2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.927 7.632 -3.359 1.00 0.00 H new ATOM 789 N GLN A 50 1.677 7.958 0.202 1.00 0.00 N ATOM 790 CA GLN A 50 2.026 6.903 1.145 1.00 0.00 C ATOM 791 C GLN A 50 1.368 5.584 0.755 1.00 0.00 C ATOM 792 O GLN A 50 1.949 4.512 0.928 1.00 0.00 O ATOM 793 CB GLN A 50 1.605 7.297 2.562 1.00 0.00 C ATOM 794 CG GLN A 50 2.298 8.548 3.077 1.00 0.00 C ATOM 795 CD GLN A 50 3.802 8.383 3.177 1.00 0.00 C ATOM 796 OE1 GLN A 50 4.314 7.264 3.223 1.00 0.00 O ATOM 797 NE2 GLN A 50 4.519 9.500 3.210 1.00 0.00 N ATOM 0 H GLN A 50 1.452 8.854 0.635 1.00 0.00 H new ATOM 0 HA GLN A 50 3.108 6.770 1.118 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.527 7.455 2.581 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.818 6.469 3.239 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.071 9.383 2.414 1.00 0.00 H new ATOM 0 HG3 GLN A 50 1.898 8.802 4.059 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.053 10.406 3.169 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.536 9.452 3.276 1.00 0.00 H new ATOM 806 N VAL A 51 0.151 5.668 0.227 1.00 0.00 N ATOM 807 CA VAL A 51 -0.586 4.481 -0.189 1.00 0.00 C ATOM 808 C VAL A 51 -0.004 3.894 -1.470 1.00 0.00 C ATOM 809 O VAL A 51 0.087 2.676 -1.621 1.00 0.00 O ATOM 810 CB VAL A 51 -2.077 4.796 -0.413 1.00 0.00 C ATOM 811 CG1 VAL A 51 -2.799 3.585 -0.984 1.00 0.00 C ATOM 812 CG2 VAL A 51 -2.726 5.251 0.885 1.00 0.00 C ATOM 0 H VAL A 51 -0.345 6.546 0.077 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.493 3.752 0.616 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.154 5.609 -1.135 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -3.851 3.827 -1.135 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.349 3.309 -1.938 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.715 2.750 -0.288 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.779 5.469 0.708 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.639 4.461 1.631 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.225 6.149 1.247 1.00 0.00 H new ATOM 822 N ALA A 52 0.388 4.768 -2.391 1.00 0.00 N ATOM 823 CA ALA A 52 0.963 4.336 -3.658 1.00 0.00 C ATOM 824 C ALA A 52 2.190 3.459 -3.434 1.00 0.00 C ATOM 825 O ALA A 52 2.310 2.381 -4.017 1.00 0.00 O ATOM 826 CB ALA A 52 1.324 5.543 -4.513 1.00 0.00 C ATOM 0 H ALA A 52 0.318 5.780 -2.283 1.00 0.00 H new ATOM 0 HA ALA A 52 0.215 3.742 -4.184 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.753 5.205 -5.457 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.427 6.130 -4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.051 6.159 -3.984 1.00 0.00 H new ATOM 832 N SER A 53 3.100 3.928 -2.585 1.00 0.00 N ATOM 833 CA SER A 53 4.320 3.187 -2.287 1.00 0.00 C ATOM 834 C SER A 53 4.005 1.905 -1.523 1.00 0.00 C ATOM 835 O SER A 53 4.561 0.846 -1.812 1.00 0.00 O ATOM 836 CB SER A 53 5.283 4.056 -1.474 1.00 0.00 C ATOM 837 OG SER A 53 5.656 5.217 -2.196 1.00 0.00 O ATOM 0 H SER A 53 3.015 4.817 -2.092 1.00 0.00 H new ATOM 0 HA SER A 53 4.793 2.918 -3.232 1.00 0.00 H new ATOM 0 HB2 SER A 53 4.812 4.344 -0.534 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.173 3.480 -1.221 1.00 0.00 H new ATOM 0 HG SER A 53 6.270 5.756 -1.654 1.00 0.00 H new ATOM 843 N GLN A 54 3.110 2.011 -0.546 1.00 0.00 N ATOM 844 CA GLN A 54 2.721 0.861 0.261 1.00 0.00 C ATOM 845 C GLN A 54 2.225 -0.280 -0.621 1.00 0.00 C ATOM 846 O GLN A 54 2.478 -1.452 -0.340 1.00 0.00 O ATOM 847 CB GLN A 54 1.634 1.257 1.261 1.00 0.00 C ATOM 848 CG GLN A 54 1.619 0.398 2.516 1.00 0.00 C ATOM 849 CD GLN A 54 2.753 0.733 3.465 1.00 0.00 C ATOM 850 OE1 GLN A 54 3.741 1.356 3.075 1.00 0.00 O ATOM 851 NE2 GLN A 54 2.617 0.319 4.719 1.00 0.00 N ATOM 0 H GLN A 54 2.641 2.881 -0.294 1.00 0.00 H new ATOM 0 HA GLN A 54 3.600 0.519 0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 54 1.777 2.299 1.546 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.662 1.190 0.773 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.668 0.531 3.031 1.00 0.00 H new ATOM 0 HG3 GLN A 54 1.685 -0.653 2.234 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.781 -0.194 4.999 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.348 0.514 5.403 1.00 0.00 H new ATOM 860 N VAL A 55 1.516 0.070 -1.690 1.00 0.00 N ATOM 861 CA VAL A 55 0.985 -0.925 -2.615 1.00 0.00 C ATOM 862 C VAL A 55 2.108 -1.638 -3.360 1.00 0.00 C ATOM 863 O VAL A 55 2.014 -2.830 -3.649 1.00 0.00 O ATOM 864 CB VAL A 55 0.029 -0.285 -3.639 1.00 0.00 C ATOM 865 CG1 VAL A 55 -0.462 -1.326 -4.634 1.00 0.00 C ATOM 866 CG2 VAL A 55 -1.141 0.382 -2.932 1.00 0.00 C ATOM 0 H VAL A 55 1.296 1.035 -1.937 1.00 0.00 H new ATOM 0 HA VAL A 55 0.433 -1.650 -2.017 1.00 0.00 H new ATOM 0 HB VAL A 55 0.575 0.481 -4.190 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.136 -0.856 -5.350 1.00 0.00 H new ATOM 0 HG12 VAL A 55 0.389 -1.753 -5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.992 -2.116 -4.102 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.806 0.829 -3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.689 -0.362 -2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.768 1.158 -2.264 1.00 0.00 H new ATOM 876 N GLN A 56 3.169 -0.899 -3.667 1.00 0.00 N ATOM 877 CA GLN A 56 4.311 -1.461 -4.379 1.00 0.00 C ATOM 878 C GLN A 56 4.985 -2.551 -3.552 1.00 0.00 C ATOM 879 O GLN A 56 5.491 -3.534 -4.094 1.00 0.00 O ATOM 880 CB GLN A 56 5.320 -0.363 -4.716 1.00 0.00 C ATOM 881 CG GLN A 56 4.980 0.408 -5.982 1.00 0.00 C ATOM 882 CD GLN A 56 6.088 1.350 -6.407 1.00 0.00 C ATOM 883 OE1 GLN A 56 6.961 0.986 -7.196 1.00 0.00 O ATOM 884 NE2 GLN A 56 6.060 2.571 -5.886 1.00 0.00 N ATOM 0 H GLN A 56 3.262 0.090 -3.434 1.00 0.00 H new ATOM 0 HA GLN A 56 3.946 -1.906 -5.305 1.00 0.00 H new ATOM 0 HB2 GLN A 56 5.378 0.334 -3.880 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.308 -0.810 -4.827 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.778 -0.297 -6.789 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.065 0.978 -5.821 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.318 2.831 -5.236 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.780 3.249 -6.136 1.00 0.00 H new ATOM 893 N LYS A 57 4.990 -2.370 -2.235 1.00 0.00 N ATOM 894 CA LYS A 57 5.601 -3.337 -1.332 1.00 0.00 C ATOM 895 C LYS A 57 4.551 -4.280 -0.753 1.00 0.00 C ATOM 896 O LYS A 57 4.807 -4.986 0.223 1.00 0.00 O ATOM 897 CB LYS A 57 6.334 -2.615 -0.199 1.00 0.00 C ATOM 898 CG LYS A 57 7.696 -2.077 -0.601 1.00 0.00 C ATOM 899 CD LYS A 57 8.103 -0.892 0.259 1.00 0.00 C ATOM 900 CE LYS A 57 9.014 0.060 -0.501 1.00 0.00 C ATOM 901 NZ LYS A 57 10.421 -0.426 -0.535 1.00 0.00 N ATOM 0 H LYS A 57 4.577 -1.562 -1.770 1.00 0.00 H new ATOM 0 HA LYS A 57 6.318 -3.927 -1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 57 5.716 -1.789 0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.457 -3.302 0.639 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.442 -2.867 -0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.675 -1.777 -1.649 1.00 0.00 H new ATOM 0 HD2 LYS A 57 7.212 -0.358 0.590 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.613 -1.248 1.154 1.00 0.00 H new ATOM 0 HE2 LYS A 57 8.646 0.178 -1.520 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.981 1.044 -0.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 11.009 0.251 -1.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 10.781 -0.515 0.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 10.457 -1.354 -1.004 1.00 0.00 H new ATOM 915 N TYR A 58 3.371 -4.289 -1.362 1.00 0.00 N ATOM 916 CA TYR A 58 2.282 -5.145 -0.906 1.00 0.00 C ATOM 917 C TYR A 58 1.935 -6.192 -1.960 1.00 0.00 C ATOM 918 O TYR A 58 1.184 -7.132 -1.694 1.00 0.00 O ATOM 919 CB TYR A 58 1.046 -4.304 -0.580 1.00 0.00 C ATOM 920 CG TYR A 58 1.001 -3.825 0.853 1.00 0.00 C ATOM 921 CD1 TYR A 58 2.171 -3.604 1.570 1.00 0.00 C ATOM 922 CD2 TYR A 58 -0.212 -3.594 1.491 1.00 0.00 C ATOM 923 CE1 TYR A 58 2.134 -3.167 2.880 1.00 0.00 C ATOM 924 CE2 TYR A 58 -0.258 -3.155 2.801 1.00 0.00 C ATOM 925 CZ TYR A 58 0.918 -2.944 3.491 1.00 0.00 C ATOM 926 OH TYR A 58 0.876 -2.508 4.795 1.00 0.00 O ATOM 0 H TYR A 58 3.144 -3.713 -2.173 1.00 0.00 H new ATOM 0 HA TYR A 58 2.611 -5.659 -0.003 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.019 -3.440 -1.244 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.152 -4.892 -0.786 1.00 0.00 H new ATOM 0 HD1 TYR A 58 3.125 -3.777 1.095 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -1.134 -3.760 0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.053 -3.001 3.423 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -1.209 -2.978 3.282 1.00 0.00 H new ATOM 0 HH TYR A 58 0.284 -1.730 4.861 1.00 0.00 H new ATOM 936 N PHE A 59 2.487 -6.023 -3.156 1.00 0.00 N ATOM 937 CA PHE A 59 2.237 -6.953 -4.252 1.00 0.00 C ATOM 938 C PHE A 59 3.543 -7.370 -4.921 1.00 0.00 C ATOM 939 O PHE A 59 3.853 -8.558 -5.015 1.00 0.00 O ATOM 940 CB PHE A 59 1.302 -6.318 -5.284 1.00 0.00 C ATOM 941 CG PHE A 59 -0.047 -5.958 -4.730 1.00 0.00 C ATOM 942 CD1 PHE A 59 -0.162 -5.060 -3.681 1.00 0.00 C ATOM 943 CD2 PHE A 59 -1.199 -6.518 -5.258 1.00 0.00 C ATOM 944 CE1 PHE A 59 -1.402 -4.727 -3.169 1.00 0.00 C ATOM 945 CE2 PHE A 59 -2.442 -6.189 -4.750 1.00 0.00 C ATOM 946 CZ PHE A 59 -2.543 -5.292 -3.705 1.00 0.00 C ATOM 0 H PHE A 59 3.111 -5.251 -3.392 1.00 0.00 H new ATOM 0 HA PHE A 59 1.761 -7.843 -3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.773 -5.420 -5.685 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.171 -7.008 -6.117 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.727 -4.615 -3.259 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -1.125 -7.220 -6.076 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.479 -4.026 -2.351 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.333 -6.633 -5.170 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.513 -5.032 -3.307 1.00 0.00 H new ATOM 956 N ILE A 60 4.305 -6.384 -5.383 1.00 0.00 N ATOM 957 CA ILE A 60 5.578 -6.648 -6.043 1.00 0.00 C ATOM 958 C ILE A 60 6.527 -7.408 -5.122 1.00 0.00 C ATOM 959 O ILE A 60 7.276 -8.279 -5.565 1.00 0.00 O ATOM 960 CB ILE A 60 6.257 -5.343 -6.498 1.00 0.00 C ATOM 961 CG1 ILE A 60 5.305 -4.526 -7.373 1.00 0.00 C ATOM 962 CG2 ILE A 60 7.544 -5.650 -7.249 1.00 0.00 C ATOM 963 CD1 ILE A 60 5.786 -3.116 -7.636 1.00 0.00 C ATOM 0 H ILE A 60 4.063 -5.396 -5.313 1.00 0.00 H new ATOM 0 HA ILE A 60 5.359 -7.258 -6.919 1.00 0.00 H new ATOM 0 HB ILE A 60 6.506 -4.753 -5.616 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.170 -5.039 -8.325 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.328 -4.484 -6.892 1.00 0.00 H new ATOM 0 HG21 ILE A 60 8.013 -4.718 -7.564 1.00 0.00 H new ATOM 0 HG22 ILE A 60 8.225 -6.196 -6.596 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.318 -6.257 -8.126 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.062 -2.595 -8.263 1.00 0.00 H new ATOM 0 HD12 ILE A 60 5.894 -2.586 -6.690 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.749 -3.149 -8.145 1.00 0.00 H new