USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 382 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 32 HIS :FLIP no HD1:sc= -3.75 X(o=-4.5!,f=-4.4) USER MOD Set 1.2: A 58 ASN :FLIP amide:sc= -0.644 F(o=-5.7,f=-4.4) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= -0.0153 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 57 ASN : amide:sc= -0.081 X(o=-0.081,f=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ -153:sc= -0.118 (180deg=-0.684) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 144 N GLY A 13 -12.898 1.837 -2.264 1.00 0.00 N ATOM 145 CA GLY A 13 -11.459 1.658 -2.332 1.00 0.00 C ATOM 146 C GLY A 13 -10.921 1.815 -3.740 1.00 0.00 C ATOM 147 O GLY A 13 -11.665 2.147 -4.664 1.00 0.00 O ATOM 0 HA2 GLY A 13 -10.975 2.383 -1.678 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.201 0.668 -1.956 1.00 0.00 H new ATOM 151 N CYS A 14 -9.625 1.578 -3.907 1.00 0.00 N ATOM 152 CA CYS A 14 -8.986 1.697 -5.212 1.00 0.00 C ATOM 153 C CYS A 14 -9.311 0.490 -6.088 1.00 0.00 C ATOM 154 O CYS A 14 -10.002 0.612 -7.099 1.00 0.00 O ATOM 155 CB CYS A 14 -7.470 1.830 -5.051 1.00 0.00 C ATOM 156 SG CYS A 14 -6.920 3.492 -4.546 1.00 0.00 S ATOM 0 H CYS A 14 -8.995 1.302 -3.154 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.373 2.593 -5.698 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.129 1.106 -4.312 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -6.991 1.571 -5.995 1.00 0.00 H new ATOM 161 N GLY A 15 -8.808 -0.675 -5.693 1.00 0.00 N ATOM 162 CA GLY A 15 -9.055 -1.886 -6.452 1.00 0.00 C ATOM 163 C GLY A 15 -7.775 -2.540 -6.934 1.00 0.00 C ATOM 164 O GLY A 15 -6.978 -3.026 -6.131 1.00 0.00 O ATOM 0 H GLY A 15 -8.233 -0.802 -4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -9.609 -2.592 -5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -9.685 -1.651 -7.310 1.00 0.00 H new ATOM 168 N ASP A 16 -7.578 -2.555 -8.247 1.00 0.00 N ATOM 169 CA ASP A 16 -6.386 -3.156 -8.835 1.00 0.00 C ATOM 170 C ASP A 16 -5.449 -2.082 -9.379 1.00 0.00 C ATOM 171 O ASP A 16 -5.420 -1.797 -10.576 1.00 0.00 O ATOM 172 CB ASP A 16 -6.775 -4.125 -9.952 1.00 0.00 C ATOM 173 CG ASP A 16 -7.856 -3.564 -10.855 1.00 0.00 C ATOM 174 OD1 ASP A 16 -9.050 -3.753 -10.540 1.00 0.00 O ATOM 175 OD2 ASP A 16 -7.509 -2.934 -11.876 1.00 0.00 O ATOM 0 H ASP A 16 -8.228 -2.158 -8.925 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.863 -3.707 -8.053 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.893 -4.360 -10.548 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -7.122 -5.061 -9.513 1.00 0.00 H new ATOM 180 N PRO A 17 -4.664 -1.470 -8.480 1.00 0.00 N ATOM 181 CA PRO A 17 -3.711 -0.418 -8.846 1.00 0.00 C ATOM 182 C PRO A 17 -2.535 -0.956 -9.653 1.00 0.00 C ATOM 183 O PRO A 17 -1.870 -0.212 -10.373 1.00 0.00 O ATOM 184 CB PRO A 17 -3.233 0.115 -7.493 1.00 0.00 C ATOM 185 CG PRO A 17 -3.429 -1.021 -6.549 1.00 0.00 C ATOM 186 CD PRO A 17 -4.645 -1.759 -7.036 1.00 0.00 C ATOM 0 HA PRO A 17 -4.167 0.341 -9.481 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.187 0.420 -7.534 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.808 0.989 -7.186 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.556 -1.673 -6.537 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -3.573 -0.661 -5.530 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.570 -2.829 -6.841 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -5.552 -1.408 -6.544 1.00 0.00 H new ATOM 194 N GLY A 18 -2.282 -2.256 -9.528 1.00 0.00 N ATOM 195 CA GLY A 18 -1.186 -2.872 -10.252 1.00 0.00 C ATOM 196 C GLY A 18 -0.178 -3.527 -9.329 1.00 0.00 C ATOM 197 O GLY A 18 -0.167 -3.267 -8.126 1.00 0.00 O ATOM 0 H GLY A 18 -2.817 -2.893 -8.938 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.583 -3.618 -10.940 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -0.684 -2.117 -10.856 1.00 0.00 H new ATOM 201 N ILE A 19 0.670 -4.381 -9.893 1.00 0.00 N ATOM 202 CA ILE A 19 1.686 -5.076 -9.112 1.00 0.00 C ATOM 203 C ILE A 19 3.057 -4.966 -9.770 1.00 0.00 C ATOM 204 O ILE A 19 3.199 -5.077 -10.988 1.00 0.00 O ATOM 205 CB ILE A 19 1.335 -6.565 -8.929 1.00 0.00 C ATOM 206 CG1 ILE A 19 0.005 -6.710 -8.188 1.00 0.00 C ATOM 207 CG2 ILE A 19 2.447 -7.283 -8.180 1.00 0.00 C ATOM 208 CD1 ILE A 19 -0.179 -8.063 -7.536 1.00 0.00 C ATOM 0 H ILE A 19 0.674 -4.608 -10.887 1.00 0.00 H new ATOM 0 HA ILE A 19 1.715 -4.595 -8.134 1.00 0.00 H new ATOM 0 HB ILE A 19 1.233 -7.023 -9.913 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.062 -5.935 -7.424 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.812 -6.539 -8.888 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.184 -8.334 -8.059 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.376 -7.204 -8.745 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.579 -6.826 -7.199 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.143 -8.094 -7.029 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.144 -8.842 -8.298 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.618 -8.229 -6.811 1.00 0.00 H new ATOM 220 N PRO A 20 4.093 -4.743 -8.947 1.00 0.00 N ATOM 221 CA PRO A 20 5.472 -4.615 -9.427 1.00 0.00 C ATOM 222 C PRO A 20 6.034 -5.938 -9.936 1.00 0.00 C ATOM 223 O PRO A 20 5.878 -6.977 -9.294 1.00 0.00 O ATOM 224 CB PRO A 20 6.237 -4.151 -8.186 1.00 0.00 C ATOM 225 CG PRO A 20 5.431 -4.647 -7.036 1.00 0.00 C ATOM 226 CD PRO A 20 3.997 -4.600 -7.485 1.00 0.00 C ATOM 0 HA PRO A 20 5.548 -3.931 -10.272 1.00 0.00 H new ATOM 0 HB2 PRO A 20 7.247 -4.561 -8.167 1.00 0.00 H new ATOM 0 HB3 PRO A 20 6.333 -3.065 -8.163 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.722 -5.662 -6.764 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.585 -4.025 -6.154 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.410 -5.404 -7.040 1.00 0.00 H new ATOM 0 HD3 PRO A 20 3.518 -3.662 -7.203 1.00 0.00 H new ATOM 234 N ALA A 21 6.688 -5.893 -11.091 1.00 0.00 N ATOM 235 CA ALA A 21 7.275 -7.088 -11.684 1.00 0.00 C ATOM 236 C ALA A 21 8.691 -7.319 -11.166 1.00 0.00 C ATOM 237 O ALA A 21 9.491 -8.005 -11.803 1.00 0.00 O ATOM 238 CB ALA A 21 7.278 -6.977 -13.202 1.00 0.00 C ATOM 0 H ALA A 21 6.825 -5.041 -11.635 1.00 0.00 H new ATOM 0 HA ALA A 21 6.666 -7.944 -11.394 1.00 0.00 H new ATOM 0 HB1 ALA A 21 7.719 -7.876 -13.632 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.255 -6.868 -13.561 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.862 -6.107 -13.502 1.00 0.00 H new ATOM 244 N TYR A 22 8.993 -6.742 -10.008 1.00 0.00 N ATOM 245 CA TYR A 22 10.314 -6.883 -9.406 1.00 0.00 C ATOM 246 C TYR A 22 10.240 -7.692 -8.115 1.00 0.00 C ATOM 247 O TYR A 22 11.206 -8.344 -7.721 1.00 0.00 O ATOM 248 CB TYR A 22 10.919 -5.507 -9.126 1.00 0.00 C ATOM 249 CG TYR A 22 11.235 -4.718 -10.376 1.00 0.00 C ATOM 250 CD1 TYR A 22 10.223 -4.130 -11.125 1.00 0.00 C ATOM 251 CD2 TYR A 22 12.546 -4.559 -10.808 1.00 0.00 C ATOM 252 CE1 TYR A 22 10.507 -3.409 -12.269 1.00 0.00 C ATOM 253 CE2 TYR A 22 12.840 -3.838 -11.949 1.00 0.00 C ATOM 254 CZ TYR A 22 11.817 -3.266 -12.677 1.00 0.00 C ATOM 255 OH TYR A 22 12.105 -2.547 -13.814 1.00 0.00 O ATOM 0 H TYR A 22 8.342 -6.173 -9.468 1.00 0.00 H new ATOM 0 HA TYR A 22 10.952 -7.416 -10.111 1.00 0.00 H new ATOM 0 HB2 TYR A 22 10.226 -4.934 -8.510 1.00 0.00 H new ATOM 0 HB3 TYR A 22 11.833 -5.633 -8.545 1.00 0.00 H new ATOM 0 HD1 TYR A 22 9.196 -4.238 -10.807 1.00 0.00 H new ATOM 0 HD2 TYR A 22 13.349 -5.007 -10.242 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.708 -2.960 -12.840 1.00 0.00 H new ATOM 0 HE2 TYR A 22 13.865 -3.723 -12.269 1.00 0.00 H new ATOM 0 HH TYR A 22 13.074 -2.541 -13.961 1.00 0.00 H new ATOM 265 N GLY A 23 9.084 -7.644 -7.459 1.00 0.00 N ATOM 266 CA GLY A 23 8.904 -8.376 -6.219 1.00 0.00 C ATOM 267 C GLY A 23 7.526 -8.998 -6.108 1.00 0.00 C ATOM 268 O GLY A 23 7.013 -9.565 -7.073 1.00 0.00 O ATOM 0 H GLY A 23 8.269 -7.111 -7.764 1.00 0.00 H new ATOM 0 HA2 GLY A 23 9.659 -9.159 -6.150 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.064 -7.703 -5.377 1.00 0.00 H new ATOM 272 N LYS A 24 6.925 -8.894 -4.928 1.00 0.00 N ATOM 273 CA LYS A 24 5.598 -9.451 -4.693 1.00 0.00 C ATOM 274 C LYS A 24 4.742 -8.490 -3.875 1.00 0.00 C ATOM 275 O LYS A 24 5.254 -7.548 -3.269 1.00 0.00 O ATOM 276 CB LYS A 24 5.708 -10.795 -3.969 1.00 0.00 C ATOM 277 CG LYS A 24 6.736 -11.732 -4.578 1.00 0.00 C ATOM 278 CD LYS A 24 7.128 -12.835 -3.610 1.00 0.00 C ATOM 279 CE LYS A 24 6.053 -13.908 -3.522 1.00 0.00 C ATOM 280 NZ LYS A 24 6.214 -14.943 -4.582 1.00 0.00 N ATOM 0 H LYS A 24 7.336 -8.429 -4.119 1.00 0.00 H new ATOM 0 HA LYS A 24 5.119 -9.604 -5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 24 5.966 -10.616 -2.925 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.734 -11.283 -3.977 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.333 -12.173 -5.489 1.00 0.00 H new ATOM 0 HG3 LYS A 24 7.622 -11.165 -4.863 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.067 -13.285 -3.931 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.300 -12.409 -2.622 1.00 0.00 H new ATOM 0 HE2 LYS A 24 6.093 -14.383 -2.542 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.070 -13.446 -3.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.463 -15.656 -4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 6.150 -14.494 -5.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 7.142 -15.402 -4.481 1.00 0.00 H new ATOM 294 N ARG A 25 3.435 -8.733 -3.862 1.00 0.00 N ATOM 295 CA ARG A 25 2.508 -7.889 -3.118 1.00 0.00 C ATOM 296 C ARG A 25 1.947 -8.631 -1.908 1.00 0.00 C ATOM 297 O ARG A 25 1.919 -9.862 -1.879 1.00 0.00 O ATOM 298 CB ARG A 25 1.364 -7.430 -4.024 1.00 0.00 C ATOM 299 CG ARG A 25 0.669 -6.169 -3.537 1.00 0.00 C ATOM 300 CD ARG A 25 -0.683 -5.984 -4.207 1.00 0.00 C ATOM 301 NE ARG A 25 -1.042 -4.574 -4.334 1.00 0.00 N ATOM 302 CZ ARG A 25 -0.366 -3.707 -5.080 1.00 0.00 C ATOM 303 NH1 ARG A 25 0.699 -4.105 -5.762 1.00 0.00 N ATOM 304 NH2 ARG A 25 -0.755 -2.440 -5.145 1.00 0.00 N ATOM 0 H ARG A 25 2.995 -9.508 -4.358 1.00 0.00 H new ATOM 0 HA ARG A 25 3.056 -7.015 -2.764 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.754 -7.255 -5.027 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.630 -8.232 -4.102 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.537 -6.219 -2.456 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.299 -5.303 -3.741 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.664 -6.444 -5.195 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -1.448 -6.502 -3.629 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.857 -4.236 -3.822 1.00 0.00 H new ATOM 0 HH11 ARG A 25 1.001 -5.078 -5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.217 -3.438 -6.334 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.574 -2.130 -4.622 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.235 -1.776 -5.718 1.00 0.00 H new ATOM 318 N THR A 26 1.502 -7.874 -0.910 1.00 0.00 N ATOM 319 CA THR A 26 0.944 -8.459 0.302 1.00 0.00 C ATOM 320 C THR A 26 -0.455 -7.921 0.579 1.00 0.00 C ATOM 321 O THR A 26 -0.631 -7.004 1.380 1.00 0.00 O ATOM 322 CB THR A 26 1.839 -8.180 1.524 1.00 0.00 C ATOM 323 OG1 THR A 26 3.208 -8.447 1.200 1.00 0.00 O ATOM 324 CG2 THR A 26 1.418 -9.035 2.710 1.00 0.00 C ATOM 0 H THR A 26 1.517 -6.854 -0.918 1.00 0.00 H new ATOM 0 HA THR A 26 0.891 -9.535 0.137 1.00 0.00 H new ATOM 0 HB THR A 26 1.728 -7.130 1.795 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.771 -8.265 1.982 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.065 -8.820 3.561 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.385 -8.809 2.973 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.503 -10.089 2.447 1.00 0.00 H new ATOM 332 N GLY A 27 -1.449 -8.498 -0.090 1.00 0.00 N ATOM 333 CA GLY A 27 -2.821 -8.063 0.099 1.00 0.00 C ATOM 334 C GLY A 27 -3.723 -8.478 -1.047 1.00 0.00 C ATOM 335 O GLY A 27 -3.291 -8.532 -2.198 1.00 0.00 O ATOM 0 H GLY A 27 -1.329 -9.258 -0.759 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.206 -8.479 1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.844 -6.978 0.201 1.00 0.00 H new ATOM 339 N SER A 28 -4.980 -8.773 -0.731 1.00 0.00 N ATOM 340 CA SER A 28 -5.944 -9.191 -1.742 1.00 0.00 C ATOM 341 C SER A 28 -7.161 -8.270 -1.745 1.00 0.00 C ATOM 342 O SER A 28 -7.946 -8.264 -2.693 1.00 0.00 O ATOM 343 CB SER A 28 -6.384 -10.635 -1.492 1.00 0.00 C ATOM 344 OG SER A 28 -7.641 -10.896 -2.091 1.00 0.00 O ATOM 0 H SER A 28 -5.354 -8.730 0.217 1.00 0.00 H new ATOM 0 HA SER A 28 -5.461 -9.130 -2.717 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.637 -11.321 -1.893 1.00 0.00 H new ATOM 0 HB3 SER A 28 -6.443 -10.820 -0.419 1.00 0.00 H new ATOM 0 HG SER A 28 -7.899 -11.825 -1.918 1.00 0.00 H new ATOM 350 N SER A 29 -7.310 -7.494 -0.677 1.00 0.00 N ATOM 351 CA SER A 29 -8.433 -6.571 -0.553 1.00 0.00 C ATOM 352 C SER A 29 -7.965 -5.125 -0.686 1.00 0.00 C ATOM 353 O SER A 29 -6.891 -4.761 -0.207 1.00 0.00 O ATOM 354 CB SER A 29 -9.138 -6.770 0.790 1.00 0.00 C ATOM 355 OG SER A 29 -9.643 -8.088 0.911 1.00 0.00 O ATOM 0 H SER A 29 -6.668 -7.485 0.115 1.00 0.00 H new ATOM 0 HA SER A 29 -9.136 -6.782 -1.359 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.441 -6.568 1.603 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.955 -6.054 0.885 1.00 0.00 H new ATOM 0 HG SER A 29 -10.087 -8.190 1.779 1.00 0.00 H new ATOM 361 N PHE A 30 -8.780 -4.304 -1.341 1.00 0.00 N ATOM 362 CA PHE A 30 -8.450 -2.898 -1.539 1.00 0.00 C ATOM 363 C PHE A 30 -9.640 -2.007 -1.194 1.00 0.00 C ATOM 364 O PHE A 30 -10.618 -1.941 -1.940 1.00 0.00 O ATOM 365 CB PHE A 30 -8.017 -2.652 -2.985 1.00 0.00 C ATOM 366 CG PHE A 30 -7.318 -3.826 -3.609 1.00 0.00 C ATOM 367 CD1 PHE A 30 -5.972 -4.053 -3.372 1.00 0.00 C ATOM 368 CD2 PHE A 30 -8.006 -4.702 -4.433 1.00 0.00 C ATOM 369 CE1 PHE A 30 -5.325 -5.132 -3.945 1.00 0.00 C ATOM 370 CE2 PHE A 30 -7.365 -5.783 -5.009 1.00 0.00 C ATOM 371 CZ PHE A 30 -6.023 -5.998 -4.763 1.00 0.00 C ATOM 0 H PHE A 30 -9.673 -4.588 -1.743 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.625 -2.647 -0.873 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.895 -2.403 -3.581 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.355 -1.787 -3.015 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.422 -3.379 -2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.056 -4.538 -4.628 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.275 -5.297 -3.753 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.913 -6.458 -5.650 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.520 -6.843 -5.210 1.00 0.00 H new ATOM 381 N LEU A 31 -9.550 -1.323 -0.058 1.00 0.00 N ATOM 382 CA LEU A 31 -10.619 -0.436 0.387 1.00 0.00 C ATOM 383 C LEU A 31 -10.147 1.014 0.414 1.00 0.00 C ATOM 384 O LEU A 31 -8.951 1.291 0.311 1.00 0.00 O ATOM 385 CB LEU A 31 -11.107 -0.851 1.777 1.00 0.00 C ATOM 386 CG LEU A 31 -12.153 -1.965 1.815 1.00 0.00 C ATOM 387 CD1 LEU A 31 -12.369 -2.445 3.242 1.00 0.00 C ATOM 388 CD2 LEU A 31 -13.463 -1.489 1.207 1.00 0.00 C ATOM 0 H LEU A 31 -8.748 -1.366 0.571 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.444 -0.517 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.245 -1.169 2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -11.522 0.027 2.272 1.00 0.00 H new ATOM 0 HG LEU A 31 -11.785 -2.803 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -13.117 -3.238 3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -11.430 -2.827 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -12.715 -1.614 3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -14.195 -2.296 1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -13.837 -0.634 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -13.298 -1.195 0.170 1.00 0.00 H new ATOM 400 N HIS A 32 -11.094 1.937 0.554 1.00 0.00 N ATOM 401 CA HIS A 32 -10.774 3.360 0.597 1.00 0.00 C ATOM 402 C HIS A 32 -10.078 3.721 1.905 1.00 0.00 C ATOM 403 O HIS A 32 -10.715 4.179 2.853 1.00 0.00 O ATOM 404 CB HIS A 32 -12.045 4.194 0.434 1.00 0.00 C ATOM 405 CG HIS A 32 -12.368 4.522 -0.991 1.00 0.00 C ATOM 406 ND1 HIS A 32 -11.565 4.657 -2.072 1.00 0.00 N flip ATOM 407 CD2 HIS A 32 -13.652 4.755 -1.438 1.00 0.00 C flip ATOM 408 CE1 HIS A 32 -12.370 4.965 -3.142 1.00 0.00 C flip ATOM 409 NE2 HIS A 32 -13.624 5.017 -2.732 1.00 0.00 N flip ATOM 0 H HIS A 32 -12.088 1.725 0.640 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.095 3.580 -0.227 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.883 3.653 0.873 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.935 5.122 0.996 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -14.541 4.727 -0.826 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -12.032 5.137 -4.153 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -14.434 5.224 -3.316 1.00 0.00 H new ATOM 417 N GLY A 33 -8.766 3.510 1.950 1.00 0.00 N ATOM 418 CA GLY A 33 -8.006 3.818 3.148 1.00 0.00 C ATOM 419 C GLY A 33 -7.085 2.686 3.557 1.00 0.00 C ATOM 420 O GLY A 33 -6.205 2.867 4.399 1.00 0.00 O ATOM 0 H GLY A 33 -8.216 3.132 1.179 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.416 4.719 2.979 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.694 4.036 3.965 1.00 0.00 H new ATOM 424 N ASP A 34 -7.288 1.516 2.962 1.00 0.00 N ATOM 425 CA ASP A 34 -6.469 0.349 3.270 1.00 0.00 C ATOM 426 C ASP A 34 -5.013 0.592 2.887 1.00 0.00 C ATOM 427 O ASP A 34 -4.702 1.518 2.137 1.00 0.00 O ATOM 428 CB ASP A 34 -7.004 -0.883 2.539 1.00 0.00 C ATOM 429 CG ASP A 34 -8.075 -1.607 3.330 1.00 0.00 C ATOM 430 OD1 ASP A 34 -8.631 -0.999 4.270 1.00 0.00 O ATOM 431 OD2 ASP A 34 -8.358 -2.780 3.011 1.00 0.00 O ATOM 0 H ASP A 34 -8.013 1.350 2.264 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.519 0.173 4.345 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.411 -0.581 1.574 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.180 -1.568 2.337 1.00 0.00 H new ATOM 436 N THR A 35 -4.122 -0.247 3.407 1.00 0.00 N ATOM 437 CA THR A 35 -2.698 -0.123 3.122 1.00 0.00 C ATOM 438 C THR A 35 -2.111 -1.453 2.664 1.00 0.00 C ATOM 439 O THR A 35 -2.195 -2.457 3.373 1.00 0.00 O ATOM 440 CB THR A 35 -1.919 0.371 4.355 1.00 0.00 C ATOM 441 OG1 THR A 35 -2.538 -0.112 5.552 1.00 0.00 O ATOM 442 CG2 THR A 35 -1.862 1.891 4.385 1.00 0.00 C ATOM 0 H THR A 35 -4.362 -1.020 4.028 1.00 0.00 H new ATOM 0 HA THR A 35 -2.599 0.610 2.321 1.00 0.00 H new ATOM 0 HB THR A 35 -0.901 -0.014 4.293 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.035 0.205 6.331 1.00 0.00 H new ATOM 0 HG21 THR A 35 -1.307 2.217 5.265 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.364 2.254 3.486 1.00 0.00 H new ATOM 0 HG23 THR A 35 -2.875 2.292 4.426 1.00 0.00 H new ATOM 450 N LEU A 36 -1.517 -1.455 1.476 1.00 0.00 N ATOM 451 CA LEU A 36 -0.914 -2.663 0.923 1.00 0.00 C ATOM 452 C LEU A 36 0.599 -2.655 1.116 1.00 0.00 C ATOM 453 O LEU A 36 1.291 -1.749 0.649 1.00 0.00 O ATOM 454 CB LEU A 36 -1.249 -2.789 -0.564 1.00 0.00 C ATOM 455 CG LEU A 36 -2.736 -2.859 -0.914 1.00 0.00 C ATOM 456 CD1 LEU A 36 -2.971 -2.393 -2.342 1.00 0.00 C ATOM 457 CD2 LEU A 36 -3.264 -4.273 -0.719 1.00 0.00 C ATOM 0 H LEU A 36 -1.440 -0.633 0.877 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.325 -3.521 1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.813 -1.938 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.763 -3.685 -0.951 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.279 -2.194 -0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.035 -2.450 -2.573 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.631 -1.363 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.416 -3.032 -3.029 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.324 -4.304 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.716 -4.958 -1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.131 -4.571 0.321 1.00 0.00 H new ATOM 469 N THR A 37 1.108 -3.670 1.806 1.00 0.00 N ATOM 470 CA THR A 37 2.538 -3.781 2.061 1.00 0.00 C ATOM 471 C THR A 37 3.233 -4.573 0.959 1.00 0.00 C ATOM 472 O THR A 37 2.629 -5.442 0.330 1.00 0.00 O ATOM 473 CB THR A 37 2.818 -4.456 3.417 1.00 0.00 C ATOM 474 OG1 THR A 37 1.913 -3.956 4.408 1.00 0.00 O ATOM 475 CG2 THR A 37 4.252 -4.208 3.860 1.00 0.00 C ATOM 0 H THR A 37 0.550 -4.428 2.199 1.00 0.00 H new ATOM 0 HA THR A 37 2.934 -2.766 2.081 1.00 0.00 H new ATOM 0 HB THR A 37 2.672 -5.530 3.301 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.096 -4.391 5.267 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.426 -4.694 4.820 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.938 -4.616 3.117 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.421 -3.136 3.961 1.00 0.00 H new ATOM 483 N PHE A 38 4.506 -4.269 0.730 1.00 0.00 N ATOM 484 CA PHE A 38 5.284 -4.953 -0.296 1.00 0.00 C ATOM 485 C PHE A 38 6.554 -5.557 0.295 1.00 0.00 C ATOM 486 O PHE A 38 6.881 -5.323 1.458 1.00 0.00 O ATOM 487 CB PHE A 38 5.644 -3.983 -1.424 1.00 0.00 C ATOM 488 CG PHE A 38 4.451 -3.479 -2.185 1.00 0.00 C ATOM 489 CD1 PHE A 38 3.565 -2.589 -1.601 1.00 0.00 C ATOM 490 CD2 PHE A 38 4.216 -3.896 -3.485 1.00 0.00 C ATOM 491 CE1 PHE A 38 2.466 -2.123 -2.299 1.00 0.00 C ATOM 492 CE2 PHE A 38 3.120 -3.434 -4.188 1.00 0.00 C ATOM 493 CZ PHE A 38 2.243 -2.547 -3.594 1.00 0.00 C ATOM 0 H PHE A 38 5.021 -3.553 1.242 1.00 0.00 H new ATOM 0 HA PHE A 38 4.674 -5.761 -0.701 1.00 0.00 H new ATOM 0 HB2 PHE A 38 6.182 -3.133 -1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 38 6.323 -4.480 -2.117 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.735 -2.255 -0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 38 4.897 -4.590 -3.954 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.783 -1.429 -1.832 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.949 -3.766 -5.201 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.385 -2.186 -4.141 1.00 0.00 H new ATOM 503 N GLU A 39 7.265 -6.335 -0.515 1.00 0.00 N ATOM 504 CA GLU A 39 8.498 -6.974 -0.071 1.00 0.00 C ATOM 505 C GLU A 39 9.324 -7.449 -1.263 1.00 0.00 C ATOM 506 O GLU A 39 8.824 -8.161 -2.135 1.00 0.00 O ATOM 507 CB GLU A 39 8.184 -8.155 0.849 1.00 0.00 C ATOM 508 CG GLU A 39 9.415 -8.764 1.500 1.00 0.00 C ATOM 509 CD GLU A 39 10.208 -7.755 2.307 1.00 0.00 C ATOM 510 OE1 GLU A 39 9.882 -7.560 3.497 1.00 0.00 O ATOM 511 OE2 GLU A 39 11.153 -7.159 1.750 1.00 0.00 O ATOM 0 H GLU A 39 7.009 -6.538 -1.481 1.00 0.00 H new ATOM 0 HA GLU A 39 9.080 -6.237 0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.497 -7.825 1.628 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.669 -8.925 0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.109 -9.584 2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.056 -9.191 0.728 1.00 0.00 H new ATOM 518 N CYS A 40 10.591 -7.051 -1.294 1.00 0.00 N ATOM 519 CA CYS A 40 11.487 -7.434 -2.378 1.00 0.00 C ATOM 520 C CYS A 40 12.475 -8.501 -1.916 1.00 0.00 C ATOM 521 O CYS A 40 12.914 -8.520 -0.765 1.00 0.00 O ATOM 522 CB CYS A 40 12.247 -6.211 -2.896 1.00 0.00 C ATOM 523 SG CYS A 40 11.176 -4.807 -3.346 1.00 0.00 S ATOM 0 H CYS A 40 11.021 -6.463 -0.580 1.00 0.00 H new ATOM 0 HA CYS A 40 10.883 -7.848 -3.186 1.00 0.00 H new ATOM 0 HB2 CYS A 40 12.954 -5.885 -2.133 1.00 0.00 H new ATOM 0 HB3 CYS A 40 12.832 -6.502 -3.768 1.00 0.00 H new ATOM 528 N PRO A 41 12.835 -9.412 -2.832 1.00 0.00 N ATOM 529 CA PRO A 41 13.775 -10.498 -2.543 1.00 0.00 C ATOM 530 C PRO A 41 15.200 -9.994 -2.342 1.00 0.00 C ATOM 531 O PRO A 41 15.492 -8.821 -2.574 1.00 0.00 O ATOM 532 CB PRO A 41 13.691 -11.382 -3.790 1.00 0.00 C ATOM 533 CG PRO A 41 13.250 -10.463 -4.876 1.00 0.00 C ATOM 534 CD PRO A 41 12.351 -9.450 -4.223 1.00 0.00 C ATOM 0 HA PRO A 41 13.525 -11.018 -1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 41 14.656 -11.834 -4.021 1.00 0.00 H new ATOM 0 HB3 PRO A 41 12.982 -12.198 -3.650 1.00 0.00 H new ATOM 0 HG2 PRO A 41 14.105 -9.979 -5.348 1.00 0.00 H new ATOM 0 HG3 PRO A 41 12.721 -11.008 -5.657 1.00 0.00 H new ATOM 0 HD2 PRO A 41 12.429 -8.474 -4.703 1.00 0.00 H new ATOM 0 HD3 PRO A 41 11.304 -9.748 -4.276 1.00 0.00 H new ATOM 542 N ALA A 42 16.084 -10.887 -1.910 1.00 0.00 N ATOM 543 CA ALA A 42 17.479 -10.533 -1.682 1.00 0.00 C ATOM 544 C ALA A 42 18.113 -9.955 -2.943 1.00 0.00 C ATOM 545 O ALA A 42 17.520 -9.993 -4.020 1.00 0.00 O ATOM 546 CB ALA A 42 18.261 -11.748 -1.205 1.00 0.00 C ATOM 0 H ALA A 42 15.858 -11.862 -1.711 1.00 0.00 H new ATOM 0 HA ALA A 42 17.511 -9.767 -0.907 1.00 0.00 H new ATOM 0 HB1 ALA A 42 19.301 -11.469 -1.039 1.00 0.00 H new ATOM 0 HB2 ALA A 42 17.830 -12.115 -0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 42 18.212 -12.532 -1.961 1.00 0.00 H new ATOM 552 N ALA A 43 19.321 -9.420 -2.800 1.00 0.00 N ATOM 553 CA ALA A 43 20.035 -8.835 -3.928 1.00 0.00 C ATOM 554 C ALA A 43 19.270 -7.651 -4.509 1.00 0.00 C ATOM 555 O ALA A 43 19.378 -7.352 -5.698 1.00 0.00 O ATOM 556 CB ALA A 43 20.278 -9.887 -5.001 1.00 0.00 C ATOM 0 H ALA A 43 19.825 -9.380 -1.914 1.00 0.00 H new ATOM 0 HA ALA A 43 20.997 -8.470 -3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 43 20.812 -9.437 -5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 43 20.874 -10.700 -4.585 1.00 0.00 H new ATOM 0 HB3 ALA A 43 19.322 -10.279 -5.349 1.00 0.00 H new ATOM 562 N PHE A 44 18.494 -6.982 -3.663 1.00 0.00 N ATOM 563 CA PHE A 44 17.709 -5.831 -4.093 1.00 0.00 C ATOM 564 C PHE A 44 17.420 -4.900 -2.919 1.00 0.00 C ATOM 565 O PHE A 44 17.221 -5.350 -1.791 1.00 0.00 O ATOM 566 CB PHE A 44 16.395 -6.292 -4.728 1.00 0.00 C ATOM 567 CG PHE A 44 16.581 -7.015 -6.031 1.00 0.00 C ATOM 568 CD1 PHE A 44 17.070 -6.350 -7.144 1.00 0.00 C ATOM 569 CD2 PHE A 44 16.266 -8.360 -6.143 1.00 0.00 C ATOM 570 CE1 PHE A 44 17.242 -7.013 -8.345 1.00 0.00 C ATOM 571 CE2 PHE A 44 16.436 -9.027 -7.341 1.00 0.00 C ATOM 572 CZ PHE A 44 16.924 -8.353 -8.444 1.00 0.00 C ATOM 0 H PHE A 44 18.392 -7.217 -2.676 1.00 0.00 H new ATOM 0 HA PHE A 44 18.291 -5.283 -4.834 1.00 0.00 H new ATOM 0 HB2 PHE A 44 15.873 -6.946 -4.030 1.00 0.00 H new ATOM 0 HB3 PHE A 44 15.755 -5.425 -4.891 1.00 0.00 H new ATOM 0 HD1 PHE A 44 17.320 -5.302 -7.072 1.00 0.00 H new ATOM 0 HD2 PHE A 44 15.884 -8.892 -5.285 1.00 0.00 H new ATOM 0 HE1 PHE A 44 17.625 -6.483 -9.205 1.00 0.00 H new ATOM 0 HE2 PHE A 44 16.187 -10.075 -7.415 1.00 0.00 H new ATOM 0 HZ PHE A 44 17.056 -8.873 -9.381 1.00 0.00 H new ATOM 582 N GLU A 45 17.400 -3.599 -3.193 1.00 0.00 N ATOM 583 CA GLU A 45 17.137 -2.605 -2.160 1.00 0.00 C ATOM 584 C GLU A 45 15.867 -1.819 -2.472 1.00 0.00 C ATOM 585 O GLU A 45 15.760 -1.180 -3.520 1.00 0.00 O ATOM 586 CB GLU A 45 18.323 -1.648 -2.028 1.00 0.00 C ATOM 587 CG GLU A 45 18.271 -0.477 -2.995 1.00 0.00 C ATOM 588 CD GLU A 45 17.377 0.645 -2.505 1.00 0.00 C ATOM 589 OE1 GLU A 45 16.957 0.599 -1.330 1.00 0.00 O ATOM 590 OE2 GLU A 45 17.098 1.570 -3.297 1.00 0.00 O ATOM 0 H GLU A 45 17.563 -3.210 -4.122 1.00 0.00 H new ATOM 0 HA GLU A 45 16.996 -3.129 -1.215 1.00 0.00 H new ATOM 0 HB2 GLU A 45 18.358 -1.265 -1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 45 19.247 -2.203 -2.192 1.00 0.00 H new ATOM 0 HG2 GLU A 45 19.279 -0.092 -3.148 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.912 -0.826 -3.963 1.00 0.00 H new ATOM 597 N LEU A 46 14.906 -1.870 -1.555 1.00 0.00 N ATOM 598 CA LEU A 46 13.642 -1.163 -1.731 1.00 0.00 C ATOM 599 C LEU A 46 13.876 0.243 -2.274 1.00 0.00 C ATOM 600 O LEU A 46 14.612 1.034 -1.683 1.00 0.00 O ATOM 601 CB LEU A 46 12.887 -1.091 -0.403 1.00 0.00 C ATOM 602 CG LEU A 46 11.368 -0.941 -0.502 1.00 0.00 C ATOM 603 CD1 LEU A 46 10.704 -2.305 -0.620 1.00 0.00 C ATOM 604 CD2 LEU A 46 10.827 -0.184 0.702 1.00 0.00 C ATOM 0 H LEU A 46 14.978 -2.393 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 46 13.042 -1.716 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 46 13.107 -1.994 0.166 1.00 0.00 H new ATOM 0 HB3 LEU A 46 13.279 -0.250 0.170 1.00 0.00 H new ATOM 0 HG LEU A 46 11.136 -0.368 -1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.624 -2.179 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.068 -2.811 -1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.944 -2.904 0.259 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.745 -0.087 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.070 -0.730 1.614 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.278 0.807 0.741 1.00 0.00 H new ATOM 616 N VAL A 47 13.242 0.550 -3.401 1.00 0.00 N ATOM 617 CA VAL A 47 13.378 1.862 -4.022 1.00 0.00 C ATOM 618 C VAL A 47 12.028 2.563 -4.126 1.00 0.00 C ATOM 619 O VAL A 47 11.572 2.896 -5.219 1.00 0.00 O ATOM 620 CB VAL A 47 13.999 1.756 -5.428 1.00 0.00 C ATOM 621 CG1 VAL A 47 14.770 3.023 -5.768 1.00 0.00 C ATOM 622 CG2 VAL A 47 14.899 0.534 -5.522 1.00 0.00 C ATOM 0 H VAL A 47 12.629 -0.092 -3.903 1.00 0.00 H new ATOM 0 HA VAL A 47 14.040 2.447 -3.384 1.00 0.00 H new ATOM 0 HB VAL A 47 13.194 1.643 -6.154 1.00 0.00 H new ATOM 0 HG11 VAL A 47 15.202 2.930 -6.765 1.00 0.00 H new ATOM 0 HG12 VAL A 47 14.094 3.878 -5.744 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.567 3.170 -5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 47 15.329 0.475 -6.522 1.00 0.00 H new ATOM 0 HG22 VAL A 47 15.700 0.614 -4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 47 14.314 -0.365 -5.325 1.00 0.00 H new ATOM 632 N GLY A 48 11.393 2.786 -2.979 1.00 0.00 N ATOM 633 CA GLY A 48 10.101 3.447 -2.963 1.00 0.00 C ATOM 634 C GLY A 48 9.331 3.182 -1.684 1.00 0.00 C ATOM 635 O GLY A 48 9.906 2.757 -0.683 1.00 0.00 O ATOM 0 H GLY A 48 11.750 2.521 -2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.244 4.521 -3.082 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.512 3.108 -3.815 1.00 0.00 H new ATOM 639 N GLU A 49 8.026 3.435 -1.718 1.00 0.00 N ATOM 640 CA GLU A 49 7.177 3.223 -0.552 1.00 0.00 C ATOM 641 C GLU A 49 6.667 1.786 -0.504 1.00 0.00 C ATOM 642 O GLU A 49 5.936 1.345 -1.391 1.00 0.00 O ATOM 643 CB GLU A 49 5.995 4.195 -0.571 1.00 0.00 C ATOM 644 CG GLU A 49 6.322 5.540 -1.197 1.00 0.00 C ATOM 645 CD GLU A 49 5.412 6.649 -0.706 1.00 0.00 C ATOM 646 OE1 GLU A 49 5.541 7.044 0.472 1.00 0.00 O ATOM 647 OE2 GLU A 49 4.570 7.121 -1.499 1.00 0.00 O ATOM 0 H GLU A 49 7.535 3.787 -2.540 1.00 0.00 H new ATOM 0 HA GLU A 49 7.776 3.407 0.340 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.170 3.740 -1.119 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.650 4.354 0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.357 5.799 -0.973 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.240 5.461 -2.281 1.00 0.00 H new ATOM 654 N ARG A 50 7.060 1.060 0.538 1.00 0.00 N ATOM 655 CA ARG A 50 6.645 -0.329 0.701 1.00 0.00 C ATOM 656 C ARG A 50 5.178 -0.413 1.112 1.00 0.00 C ATOM 657 O ARG A 50 4.648 -1.500 1.342 1.00 0.00 O ATOM 658 CB ARG A 50 7.519 -1.025 1.746 1.00 0.00 C ATOM 659 CG ARG A 50 7.439 -0.393 3.126 1.00 0.00 C ATOM 660 CD ARG A 50 6.262 -0.938 3.920 1.00 0.00 C ATOM 661 NE ARG A 50 6.523 -0.934 5.357 1.00 0.00 N ATOM 662 CZ ARG A 50 6.644 0.175 6.079 1.00 0.00 C ATOM 663 NH1 ARG A 50 6.528 1.362 5.500 1.00 0.00 N ATOM 664 NH2 ARG A 50 6.881 0.098 7.382 1.00 0.00 N ATOM 0 H ARG A 50 7.665 1.410 1.281 1.00 0.00 H new ATOM 0 HA ARG A 50 6.766 -0.833 -0.258 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.222 -2.071 1.817 1.00 0.00 H new ATOM 0 HB3 ARG A 50 8.555 -1.010 1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.365 -0.583 3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 50 7.344 0.688 3.027 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.375 -0.340 3.711 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.044 -1.955 3.594 1.00 0.00 H new ATOM 0 HE ARG A 50 6.618 -1.831 5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.345 1.425 4.498 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.621 2.212 6.056 1.00 0.00 H new ATOM 0 HH21 ARG A 50 6.971 -0.813 7.831 1.00 0.00 H new ATOM 0 HH22 ARG A 50 6.974 0.950 7.935 1.00 0.00 H new ATOM 678 N VAL A 51 4.527 0.743 1.203 1.00 0.00 N ATOM 679 CA VAL A 51 3.121 0.800 1.586 1.00 0.00 C ATOM 680 C VAL A 51 2.463 2.075 1.071 1.00 0.00 C ATOM 681 O VAL A 51 2.939 3.180 1.332 1.00 0.00 O ATOM 682 CB VAL A 51 2.953 0.730 3.115 1.00 0.00 C ATOM 683 CG1 VAL A 51 3.981 1.612 3.807 1.00 0.00 C ATOM 684 CG2 VAL A 51 1.540 1.131 3.514 1.00 0.00 C ATOM 0 H VAL A 51 4.951 1.652 1.017 1.00 0.00 H new ATOM 0 HA VAL A 51 2.634 -0.065 1.135 1.00 0.00 H new ATOM 0 HB VAL A 51 3.119 -0.299 3.434 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.846 1.549 4.887 1.00 0.00 H new ATOM 0 HG12 VAL A 51 4.984 1.275 3.546 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.850 2.645 3.484 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.439 1.076 4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.344 2.151 3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 51 0.824 0.454 3.048 1.00 0.00 H new ATOM 694 N ILE A 52 1.367 1.914 0.338 1.00 0.00 N ATOM 695 CA ILE A 52 0.642 3.053 -0.213 1.00 0.00 C ATOM 696 C ILE A 52 -0.749 3.169 0.402 1.00 0.00 C ATOM 697 O ILE A 52 -1.276 2.206 0.960 1.00 0.00 O ATOM 698 CB ILE A 52 0.507 2.947 -1.743 1.00 0.00 C ATOM 699 CG1 ILE A 52 0.075 1.535 -2.143 1.00 0.00 C ATOM 700 CG2 ILE A 52 1.820 3.316 -2.418 1.00 0.00 C ATOM 701 CD1 ILE A 52 -0.237 1.393 -3.616 1.00 0.00 C ATOM 0 H ILE A 52 0.961 1.006 0.112 1.00 0.00 H new ATOM 0 HA ILE A 52 1.220 3.944 0.032 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.259 3.648 -2.074 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.866 0.833 -1.878 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.806 1.256 -1.565 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.708 3.236 -3.499 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.089 4.339 -2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.605 2.637 -2.083 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.536 0.366 -3.827 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.049 2.070 -3.883 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.649 1.640 -4.201 1.00 0.00 H new ATOM 713 N THR A 53 -1.339 4.355 0.296 1.00 0.00 N ATOM 714 CA THR A 53 -2.669 4.598 0.841 1.00 0.00 C ATOM 715 C THR A 53 -3.626 5.085 -0.241 1.00 0.00 C ATOM 716 O THR A 53 -3.300 5.986 -1.014 1.00 0.00 O ATOM 717 CB THR A 53 -2.629 5.635 1.979 1.00 0.00 C ATOM 718 OG1 THR A 53 -1.558 5.333 2.880 1.00 0.00 O ATOM 719 CG2 THR A 53 -3.947 5.655 2.739 1.00 0.00 C ATOM 0 H THR A 53 -0.917 5.163 -0.162 1.00 0.00 H new ATOM 0 HA THR A 53 -3.026 3.648 1.238 1.00 0.00 H new ATOM 0 HB THR A 53 -2.466 6.619 1.539 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.538 5.998 3.600 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.895 6.395 3.538 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.757 5.914 2.057 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.135 4.671 3.168 1.00 0.00 H new ATOM 727 N CYS A 54 -4.810 4.483 -0.292 1.00 0.00 N ATOM 728 CA CYS A 54 -5.816 4.855 -1.280 1.00 0.00 C ATOM 729 C CYS A 54 -6.598 6.083 -0.823 1.00 0.00 C ATOM 730 O CYS A 54 -7.200 6.084 0.250 1.00 0.00 O ATOM 731 CB CYS A 54 -6.775 3.689 -1.526 1.00 0.00 C ATOM 732 SG CYS A 54 -7.949 3.967 -2.891 1.00 0.00 S ATOM 0 H CYS A 54 -5.096 3.735 0.340 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.303 5.097 -2.211 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.193 2.792 -1.739 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.336 3.495 -0.612 1.00 0.00 H new ATOM 737 N GLN A 55 -6.584 7.127 -1.646 1.00 0.00 N ATOM 738 CA GLN A 55 -7.291 8.361 -1.327 1.00 0.00 C ATOM 739 C GLN A 55 -8.797 8.183 -1.490 1.00 0.00 C ATOM 740 O GLN A 55 -9.266 7.114 -1.879 1.00 0.00 O ATOM 741 CB GLN A 55 -6.801 9.501 -2.221 1.00 0.00 C ATOM 742 CG GLN A 55 -5.286 9.600 -2.305 1.00 0.00 C ATOM 743 CD GLN A 55 -4.824 10.755 -3.171 1.00 0.00 C ATOM 744 OE1 GLN A 55 -4.754 11.898 -2.717 1.00 0.00 O ATOM 745 NE2 GLN A 55 -4.504 10.463 -4.426 1.00 0.00 N ATOM 0 H GLN A 55 -6.091 7.142 -2.539 1.00 0.00 H new ATOM 0 HA GLN A 55 -7.083 8.610 -0.286 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.204 9.364 -3.224 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -7.198 10.444 -1.844 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.877 9.717 -1.301 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.886 8.668 -2.705 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.577 9.502 -4.761 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.185 11.199 -5.056 1.00 0.00 H new ATOM 754 N GLN A 56 -9.548 9.237 -1.189 1.00 0.00 N ATOM 755 CA GLN A 56 -11.002 9.196 -1.301 1.00 0.00 C ATOM 756 C GLN A 56 -11.443 9.435 -2.741 1.00 0.00 C ATOM 757 O GLN A 56 -12.608 9.733 -3.002 1.00 0.00 O ATOM 758 CB GLN A 56 -11.635 10.240 -0.381 1.00 0.00 C ATOM 759 CG GLN A 56 -11.391 11.673 -0.827 1.00 0.00 C ATOM 760 CD GLN A 56 -11.547 12.671 0.303 1.00 0.00 C ATOM 761 OE1 GLN A 56 -10.836 12.607 1.306 1.00 0.00 O ATOM 762 NE2 GLN A 56 -12.481 13.602 0.146 1.00 0.00 N ATOM 0 H GLN A 56 -9.175 10.130 -0.866 1.00 0.00 H new ATOM 0 HA GLN A 56 -11.337 8.204 -0.997 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -12.709 10.063 -0.329 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -11.241 10.110 0.627 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -10.386 11.754 -1.242 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.088 11.924 -1.627 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -13.048 13.618 -0.702 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.631 14.301 0.873 1.00 0.00 H new ATOM 771 N ASN A 57 -10.504 9.302 -3.672 1.00 0.00 N ATOM 772 CA ASN A 57 -10.797 9.505 -5.087 1.00 0.00 C ATOM 773 C ASN A 57 -10.492 8.245 -5.891 1.00 0.00 C ATOM 774 O ASN A 57 -10.109 8.319 -7.058 1.00 0.00 O ATOM 775 CB ASN A 57 -9.985 10.681 -5.633 1.00 0.00 C ATOM 776 CG ASN A 57 -10.649 12.017 -5.361 1.00 0.00 C ATOM 777 OD1 ASN A 57 -10.088 12.874 -4.677 1.00 0.00 O ATOM 778 ND2 ASN A 57 -11.850 12.202 -5.897 1.00 0.00 N ATOM 0 H ASN A 57 -9.535 9.055 -3.473 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.859 9.729 -5.185 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -8.992 10.673 -5.183 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -9.849 10.558 -6.707 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.345 13.082 -5.749 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.278 11.465 -6.457 1.00 0.00 H new ATOM 785 N ASN A 58 -10.667 7.089 -5.259 1.00 0.00 N ATOM 786 CA ASN A 58 -10.411 5.812 -5.915 1.00 0.00 C ATOM 787 C ASN A 58 -9.034 5.805 -6.572 1.00 0.00 C ATOM 788 O ASN A 58 -8.849 5.223 -7.641 1.00 0.00 O ATOM 789 CB ASN A 58 -11.489 5.529 -6.963 1.00 0.00 C ATOM 790 CG ASN A 58 -12.853 6.042 -6.543 1.00 0.00 C ATOM 791 OD1 ASN A 58 -13.586 5.229 -5.792 1.00 0.00 O flip ATOM 792 ND2 ASN A 58 -13.242 7.158 -6.889 1.00 0.00 N flip ATOM 0 H ASN A 58 -10.985 7.010 -4.293 1.00 0.00 H new ATOM 0 HA ASN A 58 -10.436 5.030 -5.156 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -11.204 5.993 -7.907 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.547 4.455 -7.140 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -12.645 7.750 -7.467 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -14.161 7.491 -6.598 1.00 0.00 H new ATOM 799 N GLN A 59 -8.072 6.454 -5.924 1.00 0.00 N ATOM 800 CA GLN A 59 -6.712 6.522 -6.446 1.00 0.00 C ATOM 801 C GLN A 59 -5.699 6.641 -5.311 1.00 0.00 C ATOM 802 O GLN A 59 -5.937 7.338 -4.325 1.00 0.00 O ATOM 803 CB GLN A 59 -6.568 7.708 -7.400 1.00 0.00 C ATOM 804 CG GLN A 59 -7.401 7.576 -8.665 1.00 0.00 C ATOM 805 CD GLN A 59 -7.299 8.794 -9.561 1.00 0.00 C ATOM 806 OE1 GLN A 59 -6.572 8.790 -10.555 1.00 0.00 O ATOM 807 NE2 GLN A 59 -8.030 9.847 -9.213 1.00 0.00 N ATOM 0 H GLN A 59 -8.209 6.940 -5.038 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.513 5.600 -6.992 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.857 8.620 -6.878 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.519 7.817 -7.675 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -7.077 6.695 -9.218 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -8.444 7.416 -8.393 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -8.619 9.807 -8.381 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -8.003 10.696 -9.778 1.00 0.00 H new ATOM 816 N TRP A 60 -4.571 5.956 -5.458 1.00 0.00 N ATOM 817 CA TRP A 60 -3.522 5.985 -4.445 1.00 0.00 C ATOM 818 C TRP A 60 -2.711 7.272 -4.538 1.00 0.00 C ATOM 819 O TRP A 60 -2.802 8.004 -5.524 1.00 0.00 O ATOM 820 CB TRP A 60 -2.601 4.774 -4.601 1.00 0.00 C ATOM 821 CG TRP A 60 -3.327 3.464 -4.554 1.00 0.00 C ATOM 822 CD1 TRP A 60 -3.958 2.840 -5.592 1.00 0.00 C ATOM 823 CD2 TRP A 60 -3.499 2.620 -3.410 1.00 0.00 C ATOM 824 NE1 TRP A 60 -4.512 1.658 -5.162 1.00 0.00 N ATOM 825 CE2 TRP A 60 -4.244 1.500 -3.828 1.00 0.00 C ATOM 826 CE3 TRP A 60 -3.095 2.701 -2.075 1.00 0.00 C ATOM 827 CZ2 TRP A 60 -4.592 0.471 -2.957 1.00 0.00 C ATOM 828 CZ3 TRP A 60 -3.442 1.679 -1.212 1.00 0.00 C ATOM 829 CH2 TRP A 60 -4.183 0.576 -1.655 1.00 0.00 C ATOM 0 H TRP A 60 -4.359 5.374 -6.268 1.00 0.00 H new ATOM 0 HA TRP A 60 -3.997 5.948 -3.464 1.00 0.00 H new ATOM 0 HB2 TRP A 60 -2.068 4.852 -5.549 1.00 0.00 H new ATOM 0 HB3 TRP A 60 -1.850 4.794 -3.811 1.00 0.00 H new ATOM 0 HD1 TRP A 60 -4.013 3.219 -6.602 1.00 0.00 H new ATOM 0 HE1 TRP A 60 -5.038 1.004 -5.742 1.00 0.00 H new ATOM 0 HE3 TRP A 60 -2.522 3.547 -1.724 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 -5.164 -0.380 -3.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 -3.136 1.732 -0.177 1.00 0.00 H new ATOM 0 HH2 TRP A 60 -4.437 -0.207 -0.956 1.00 0.00 H new ATOM 840 N SER A 61 -1.919 7.543 -3.506 1.00 0.00 N ATOM 841 CA SER A 61 -1.094 8.745 -3.470 1.00 0.00 C ATOM 842 C SER A 61 0.385 8.393 -3.595 1.00 0.00 C ATOM 843 O SER A 61 1.256 9.235 -3.379 1.00 0.00 O ATOM 844 CB SER A 61 -1.338 9.519 -2.173 1.00 0.00 C ATOM 845 OG SER A 61 -0.533 9.017 -1.121 1.00 0.00 O ATOM 0 H SER A 61 -1.831 6.946 -2.683 1.00 0.00 H new ATOM 0 HA SER A 61 -1.373 9.372 -4.317 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.120 10.575 -2.330 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.390 9.448 -1.896 1.00 0.00 H new ATOM 0 HG SER A 61 -0.706 9.529 -0.304 1.00 0.00 H new ATOM 851 N GLY A 62 0.662 7.141 -3.945 1.00 0.00 N ATOM 852 CA GLY A 62 2.036 6.697 -4.093 1.00 0.00 C ATOM 853 C GLY A 62 2.174 5.555 -5.079 1.00 0.00 C ATOM 854 O GLY A 62 1.392 4.606 -5.053 1.00 0.00 O ATOM 0 H GLY A 62 -0.041 6.425 -4.129 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.651 7.534 -4.423 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.419 6.383 -3.122 1.00 0.00 H new ATOM 858 N ASN A 63 3.171 5.647 -5.953 1.00 0.00 N ATOM 859 CA ASN A 63 3.407 4.614 -6.955 1.00 0.00 C ATOM 860 C ASN A 63 3.879 3.319 -6.300 1.00 0.00 C ATOM 861 O ASN A 63 4.300 3.313 -5.143 1.00 0.00 O ATOM 862 CB ASN A 63 4.443 5.090 -7.975 1.00 0.00 C ATOM 863 CG ASN A 63 3.988 6.324 -8.729 1.00 0.00 C ATOM 864 OD1 ASN A 63 4.548 7.408 -8.565 1.00 0.00 O ATOM 865 ND2 ASN A 63 2.965 6.164 -9.561 1.00 0.00 N ATOM 0 H ASN A 63 3.828 6.426 -5.988 1.00 0.00 H new ATOM 0 HA ASN A 63 2.465 4.419 -7.468 1.00 0.00 H new ATOM 0 HB2 ASN A 63 5.381 5.306 -7.463 1.00 0.00 H new ATOM 0 HB3 ASN A 63 4.645 4.288 -8.685 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.613 6.958 -10.096 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.531 5.247 -9.665 1.00 0.00 H new ATOM 872 N LYS A 64 3.807 2.223 -7.048 1.00 0.00 N ATOM 873 CA LYS A 64 4.228 0.922 -6.542 1.00 0.00 C ATOM 874 C LYS A 64 5.727 0.908 -6.259 1.00 0.00 C ATOM 875 O LYS A 64 6.523 1.521 -6.970 1.00 0.00 O ATOM 876 CB LYS A 64 3.878 -0.176 -7.549 1.00 0.00 C ATOM 877 CG LYS A 64 2.442 -0.116 -8.041 1.00 0.00 C ATOM 878 CD LYS A 64 2.125 -1.269 -8.978 1.00 0.00 C ATOM 879 CE LYS A 64 2.474 -0.928 -10.419 1.00 0.00 C ATOM 880 NZ LYS A 64 1.661 0.209 -10.932 1.00 0.00 N ATOM 0 H LYS A 64 3.461 2.210 -8.007 1.00 0.00 H new ATOM 0 HA LYS A 64 3.698 0.733 -5.608 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.550 -0.100 -8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.055 -1.148 -7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.763 -0.141 -7.189 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.272 0.830 -8.556 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.680 -2.154 -8.668 1.00 0.00 H new ATOM 0 HD3 LYS A 64 1.066 -1.516 -8.908 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.533 -0.677 -10.487 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.313 -1.803 -11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.569 0.132 -11.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.717 0.184 -10.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.129 1.106 -10.693 1.00 0.00 H new ATOM 894 N PRO A 65 6.122 0.191 -5.196 1.00 0.00 N ATOM 895 CA PRO A 65 7.528 0.078 -4.796 1.00 0.00 C ATOM 896 C PRO A 65 8.346 -0.749 -5.781 1.00 0.00 C ATOM 897 O PRO A 65 7.984 -1.878 -6.110 1.00 0.00 O ATOM 898 CB PRO A 65 7.454 -0.626 -3.439 1.00 0.00 C ATOM 899 CG PRO A 65 6.175 -1.387 -3.475 1.00 0.00 C ATOM 900 CD PRO A 65 5.227 -0.565 -4.304 1.00 0.00 C ATOM 0 HA PRO A 65 8.022 1.049 -4.762 1.00 0.00 H new ATOM 0 HB2 PRO A 65 8.305 -1.290 -3.291 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.464 0.093 -2.619 1.00 0.00 H new ATOM 0 HG2 PRO A 65 6.321 -2.374 -3.913 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.783 -1.539 -2.469 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.536 -1.193 -4.866 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.623 0.098 -3.685 1.00 0.00 H new ATOM 908 N SER A 66 9.453 -0.179 -6.249 1.00 0.00 N ATOM 909 CA SER A 66 10.321 -0.862 -7.200 1.00 0.00 C ATOM 910 C SER A 66 11.545 -1.443 -6.497 1.00 0.00 C ATOM 911 O SER A 66 12.096 -0.835 -5.579 1.00 0.00 O ATOM 912 CB SER A 66 10.762 0.101 -8.304 1.00 0.00 C ATOM 913 OG SER A 66 9.667 0.859 -8.786 1.00 0.00 O ATOM 0 H SER A 66 9.769 0.754 -5.984 1.00 0.00 H new ATOM 0 HA SER A 66 9.757 -1.681 -7.647 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.532 0.771 -7.921 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.209 -0.461 -9.124 1.00 0.00 H new ATOM 0 HG SER A 66 9.975 1.468 -9.489 1.00 0.00 H new ATOM 919 N CYS A 67 11.965 -2.625 -6.936 1.00 0.00 N ATOM 920 CA CYS A 67 13.123 -3.291 -6.351 1.00 0.00 C ATOM 921 C CYS A 67 14.286 -3.326 -7.337 1.00 0.00 C ATOM 922 O CYS A 67 14.122 -3.718 -8.493 1.00 0.00 O ATOM 923 CB CYS A 67 12.758 -4.714 -5.924 1.00 0.00 C ATOM 924 SG CYS A 67 11.022 -4.913 -5.409 1.00 0.00 S ATOM 0 H CYS A 67 11.521 -3.141 -7.695 1.00 0.00 H new ATOM 0 HA CYS A 67 13.432 -2.724 -5.473 1.00 0.00 H new ATOM 0 HB2 CYS A 67 12.960 -5.394 -6.752 1.00 0.00 H new ATOM 0 HB3 CYS A 67 13.407 -5.013 -5.101 1.00 0.00 H new ATOM 929 N SER A 68 15.462 -2.915 -6.873 1.00 0.00 N ATOM 930 CA SER A 68 16.652 -2.896 -7.715 1.00 0.00 C ATOM 931 C SER A 68 17.915 -2.780 -6.867 1.00 0.00 C ATOM 932 O SER A 68 17.889 -2.235 -5.765 1.00 0.00 O ATOM 933 CB SER A 68 16.582 -1.734 -8.708 1.00 0.00 C ATOM 934 OG SER A 68 17.786 -1.622 -9.448 1.00 0.00 O ATOM 0 H SER A 68 15.616 -2.591 -5.918 1.00 0.00 H new ATOM 0 HA SER A 68 16.691 -3.835 -8.268 1.00 0.00 H new ATOM 0 HB2 SER A 68 15.745 -1.884 -9.390 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.393 -0.804 -8.172 1.00 0.00 H new ATOM 0 HG SER A 68 17.715 -0.873 -10.077 1.00 0.00 H new