USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 554 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 295 ASN : amide:sc= -0.116 K(o=2.3,f=-11!) USER MOD Set 1.2: B 4 LYS NZ :NH3+ 176:sc= 2.45 (180deg=1.21) USER MOD Single : A 291 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 293 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.22) USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 310 CYS SG : rot 32:sc= -1.16 USER MOD Single : A 319 HIS : no HD1:sc= -1.48! C(o=-1.5!,f=-6.1!) USER MOD Single : A 324 SER OG : rot 180:sc= 0 USER MOD Single : A 332 SER OG : rot 180:sc= 0 USER MOD Single : A 334 THR OG1 : rot 180:sc= 0.0959 USER MOD Single : A 338 SER OG : rot -124:sc= 0.376 USER MOD Single : A 339 SER OG : rot 180:sc= 0.0011 USER MOD Single : A 342 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 344 THR OG1 : rot -45:sc= 1.3 USER MOD Single : A 346 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 349 GLN : amide:sc= -0.682 K(o=-0.68,f=0) USER MOD Single : B 1 ALA N :NH3+ -118:sc= 1.65 (180deg=-0.028) USER MOD Single : B 3 THR OG1 : rot 180:sc= 0.0342 USER MOD Single : B 5 GLN : amide:sc= -0.215 X(o=-0.22,f=-0.55) USER MOD Single : B 6 THR OG1 : rot -14:sc= 0.903 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 289 -0.887 -23.638 7.528 1.00 7.93 N ATOM 2 CA GLY A 289 -0.893 -22.253 7.002 1.00 7.32 C ATOM 3 C GLY A 289 0.503 -21.746 6.719 1.00 6.42 C ATOM 4 O GLY A 289 0.967 -20.800 7.358 1.00 6.32 O ATOM 0 HA2 GLY A 289 -1.484 -22.216 6.087 1.00 7.32 H new ATOM 0 HA3 GLY A 289 -1.378 -21.594 7.722 1.00 7.32 H new ATOM 10 N ALA A 290 1.172 -22.370 5.757 1.00 6.11 N ATOM 11 CA ALA A 290 2.524 -21.977 5.389 1.00 5.56 C ATOM 12 C ALA A 290 2.497 -20.723 4.522 1.00 4.65 C ATOM 13 O ALA A 290 2.862 -20.746 3.344 1.00 4.88 O ATOM 14 CB ALA A 290 3.234 -23.115 4.672 1.00 6.29 C ATOM 0 H ALA A 290 0.799 -23.151 5.218 1.00 6.11 H new ATOM 0 HA ALA A 290 3.079 -21.750 6.299 1.00 5.56 H new ATOM 0 HB1 ALA A 290 4.244 -22.803 4.404 1.00 6.29 H new ATOM 0 HB2 ALA A 290 3.285 -23.983 5.329 1.00 6.29 H new ATOM 0 HB3 ALA A 290 2.683 -23.375 3.768 1.00 6.29 H new ATOM 20 N MET A 291 2.051 -19.635 5.120 1.00 4.01 N ATOM 21 CA MET A 291 1.921 -18.366 4.429 1.00 3.50 C ATOM 22 C MET A 291 2.562 -17.258 5.251 1.00 2.71 C ATOM 23 O MET A 291 2.734 -17.401 6.461 1.00 3.00 O ATOM 24 CB MET A 291 0.442 -18.046 4.188 1.00 4.13 C ATOM 25 CG MET A 291 -0.362 -17.904 5.469 1.00 4.78 C ATOM 26 SD MET A 291 -2.056 -17.359 5.178 1.00 5.58 S ATOM 27 CE MET A 291 -2.651 -17.240 6.859 1.00 6.45 C ATOM 0 H MET A 291 1.768 -19.606 6.100 1.00 4.01 H new ATOM 0 HA MET A 291 2.429 -18.436 3.467 1.00 3.50 H new ATOM 0 HB2 MET A 291 0.367 -17.121 3.616 1.00 4.13 H new ATOM 0 HB3 MET A 291 0.002 -18.835 3.578 1.00 4.13 H new ATOM 0 HG2 MET A 291 -0.378 -18.861 5.990 1.00 4.78 H new ATOM 0 HG3 MET A 291 0.135 -17.192 6.127 1.00 4.78 H new ATOM 0 HE1 MET A 291 -3.691 -16.913 6.855 1.00 6.45 H new ATOM 0 HE2 MET A 291 -2.580 -18.215 7.340 1.00 6.45 H new ATOM 0 HE3 MET A 291 -2.046 -16.519 7.409 1.00 6.45 H new ATOM 37 N ALA A 292 2.919 -16.173 4.593 1.00 2.40 N ATOM 38 CA ALA A 292 3.504 -15.021 5.267 1.00 2.26 C ATOM 39 C ALA A 292 3.306 -13.762 4.436 1.00 1.90 C ATOM 40 O ALA A 292 3.872 -12.709 4.735 1.00 2.49 O ATOM 41 CB ALA A 292 4.985 -15.255 5.533 1.00 3.16 C ATOM 0 H ALA A 292 2.815 -16.061 3.585 1.00 2.40 H new ATOM 0 HA ALA A 292 2.998 -14.887 6.223 1.00 2.26 H new ATOM 0 HB1 ALA A 292 5.406 -14.385 6.037 1.00 3.16 H new ATOM 0 HB2 ALA A 292 5.107 -16.135 6.165 1.00 3.16 H new ATOM 0 HB3 ALA A 292 5.504 -15.413 4.588 1.00 3.16 H new ATOM 47 N GLN A 293 2.475 -13.888 3.401 1.00 1.56 N ATOM 48 CA GLN A 293 2.262 -12.833 2.421 1.00 1.58 C ATOM 49 C GLN A 293 3.561 -12.497 1.694 1.00 1.07 C ATOM 50 O GLN A 293 4.609 -13.099 1.939 1.00 1.32 O ATOM 51 CB GLN A 293 1.679 -11.580 3.081 1.00 2.27 C ATOM 52 CG GLN A 293 0.243 -11.740 3.553 1.00 3.06 C ATOM 53 CD GLN A 293 -0.691 -12.204 2.450 1.00 4.01 C ATOM 54 OE1 GLN A 293 -1.240 -11.394 1.701 1.00 4.60 O ATOM 55 NE2 GLN A 293 -0.898 -13.506 2.359 1.00 4.62 N ATOM 0 H GLN A 293 1.930 -14.731 3.222 1.00 1.56 H new ATOM 0 HA GLN A 293 1.542 -13.199 1.689 1.00 1.58 H new ATOM 0 HB2 GLN A 293 2.302 -11.307 3.933 1.00 2.27 H new ATOM 0 HB3 GLN A 293 1.728 -10.753 2.373 1.00 2.27 H new ATOM 0 HG2 GLN A 293 0.213 -12.457 4.374 1.00 3.06 H new ATOM 0 HG3 GLN A 293 -0.113 -10.788 3.948 1.00 3.06 H new ATOM 0 HE21 GLN A 293 -0.424 -14.144 2.998 1.00 4.62 H new ATOM 0 HE22 GLN A 293 -1.532 -13.873 1.649 1.00 4.62 H new ATOM 64 N LYS A 294 3.482 -11.546 0.785 1.00 0.91 N ATOM 65 CA LYS A 294 4.645 -11.089 0.053 1.00 0.64 C ATOM 66 C LYS A 294 4.647 -9.580 -0.003 1.00 0.53 C ATOM 67 O LYS A 294 3.595 -8.962 -0.156 1.00 0.75 O ATOM 68 CB LYS A 294 4.660 -11.663 -1.369 1.00 1.16 C ATOM 69 CG LYS A 294 5.080 -13.121 -1.439 1.00 1.84 C ATOM 70 CD LYS A 294 6.484 -13.311 -0.893 1.00 1.95 C ATOM 71 CE LYS A 294 6.906 -14.767 -0.908 1.00 2.86 C ATOM 72 NZ LYS A 294 8.195 -14.963 -0.193 1.00 3.40 N ATOM 0 H LYS A 294 2.615 -11.071 0.534 1.00 0.91 H new ATOM 0 HA LYS A 294 5.538 -11.438 0.571 1.00 0.64 H new ATOM 0 HB2 LYS A 294 3.665 -11.560 -1.802 1.00 1.16 H new ATOM 0 HB3 LYS A 294 5.338 -11.070 -1.983 1.00 1.16 H new ATOM 0 HG2 LYS A 294 4.379 -13.732 -0.870 1.00 1.84 H new ATOM 0 HG3 LYS A 294 5.038 -13.466 -2.472 1.00 1.84 H new ATOM 0 HD2 LYS A 294 7.186 -12.724 -1.485 1.00 1.95 H new ATOM 0 HD3 LYS A 294 6.531 -12.930 0.127 1.00 1.95 H new ATOM 0 HE2 LYS A 294 6.132 -15.377 -0.441 1.00 2.86 H new ATOM 0 HE3 LYS A 294 7.003 -15.109 -1.938 1.00 2.86 H new ATOM 0 HZ1 LYS A 294 8.458 -15.969 -0.220 1.00 3.40 H new ATOM 0 HZ2 LYS A 294 8.937 -14.399 -0.654 1.00 3.40 H new ATOM 0 HZ3 LYS A 294 8.093 -14.658 0.796 1.00 3.40 H new ATOM 86 N ASN A 295 5.811 -8.981 0.149 1.00 0.40 N ATOM 87 CA ASN A 295 5.960 -7.557 -0.019 1.00 0.28 C ATOM 88 C ASN A 295 7.139 -7.290 -0.928 1.00 0.27 C ATOM 89 O ASN A 295 8.219 -7.856 -0.752 1.00 0.33 O ATOM 90 CB ASN A 295 6.160 -6.871 1.333 1.00 0.26 C ATOM 91 CG ASN A 295 6.999 -7.690 2.298 1.00 0.37 C ATOM 92 OD1 ASN A 295 8.217 -7.550 2.347 1.00 1.07 O ATOM 93 ND2 ASN A 295 6.357 -8.553 3.067 1.00 1.25 N ATOM 0 H ASN A 295 6.674 -9.468 0.391 1.00 0.40 H new ATOM 0 HA ASN A 295 5.054 -7.150 -0.468 1.00 0.28 H new ATOM 0 HB2 ASN A 295 6.638 -5.904 1.176 1.00 0.26 H new ATOM 0 HB3 ASN A 295 5.186 -6.676 1.782 1.00 0.26 H new ATOM 0 HD21 ASN A 295 6.876 -9.130 3.729 1.00 1.25 H new ATOM 0 HD22 ASN A 295 5.343 -8.642 2.998 1.00 1.25 H new ATOM 100 N GLU A 296 6.923 -6.432 -1.897 1.00 0.26 N ATOM 101 CA GLU A 296 7.944 -6.127 -2.881 1.00 0.31 C ATOM 102 C GLU A 296 8.846 -5.008 -2.394 1.00 0.23 C ATOM 103 O GLU A 296 8.383 -4.031 -1.807 1.00 0.31 O ATOM 104 CB GLU A 296 7.287 -5.797 -4.221 1.00 0.47 C ATOM 105 CG GLU A 296 6.569 -7.002 -4.815 1.00 0.63 C ATOM 106 CD GLU A 296 5.833 -6.705 -6.103 1.00 0.83 C ATOM 107 OE1 GLU A 296 6.483 -6.629 -7.170 1.00 0.98 O ATOM 108 OE2 GLU A 296 4.591 -6.587 -6.067 1.00 1.11 O ATOM 0 H GLU A 296 6.046 -5.929 -2.028 1.00 0.26 H new ATOM 0 HA GLU A 296 8.579 -7.001 -3.025 1.00 0.31 H new ATOM 0 HB2 GLU A 296 6.576 -4.982 -4.086 1.00 0.47 H new ATOM 0 HB3 GLU A 296 8.046 -5.446 -4.920 1.00 0.47 H new ATOM 0 HG2 GLU A 296 7.297 -7.792 -4.998 1.00 0.63 H new ATOM 0 HG3 GLU A 296 5.859 -7.386 -4.083 1.00 0.63 H new ATOM 115 N ASP A 297 10.141 -5.166 -2.626 1.00 0.22 N ATOM 116 CA ASP A 297 11.141 -4.257 -2.071 1.00 0.20 C ATOM 117 C ASP A 297 11.362 -3.050 -2.967 1.00 0.19 C ATOM 118 O ASP A 297 12.487 -2.561 -3.104 1.00 0.30 O ATOM 119 CB ASP A 297 12.477 -4.968 -1.854 1.00 0.28 C ATOM 120 CG ASP A 297 12.355 -6.220 -1.014 1.00 0.37 C ATOM 121 OD1 ASP A 297 12.395 -6.117 0.223 1.00 0.45 O ATOM 122 OD2 ASP A 297 12.230 -7.322 -1.589 1.00 0.49 O ATOM 0 H ASP A 297 10.528 -5.918 -3.197 1.00 0.22 H new ATOM 0 HA ASP A 297 10.753 -3.917 -1.111 1.00 0.20 H new ATOM 0 HB2 ASP A 297 12.905 -5.228 -2.822 1.00 0.28 H new ATOM 0 HB3 ASP A 297 13.173 -4.281 -1.372 1.00 0.28 H new ATOM 127 N GLU A 298 10.297 -2.581 -3.589 1.00 0.21 N ATOM 128 CA GLU A 298 10.341 -1.358 -4.364 1.00 0.25 C ATOM 129 C GLU A 298 8.960 -0.742 -4.466 1.00 0.25 C ATOM 130 O GLU A 298 7.945 -1.439 -4.527 1.00 0.40 O ATOM 131 CB GLU A 298 10.962 -1.583 -5.750 1.00 0.42 C ATOM 132 CG GLU A 298 10.532 -2.861 -6.453 1.00 0.89 C ATOM 133 CD GLU A 298 9.145 -2.778 -7.051 1.00 1.81 C ATOM 134 OE1 GLU A 298 8.845 -1.785 -7.739 1.00 2.25 O ATOM 135 OE2 GLU A 298 8.362 -3.732 -6.875 1.00 2.53 O ATOM 0 H GLU A 298 9.383 -3.034 -3.571 1.00 0.21 H new ATOM 0 HA GLU A 298 10.988 -0.654 -3.840 1.00 0.25 H new ATOM 0 HB2 GLU A 298 10.709 -0.735 -6.386 1.00 0.42 H new ATOM 0 HB3 GLU A 298 12.047 -1.591 -5.647 1.00 0.42 H new ATOM 0 HG2 GLU A 298 11.247 -3.091 -7.243 1.00 0.89 H new ATOM 0 HG3 GLU A 298 10.565 -3.687 -5.742 1.00 0.89 H new ATOM 142 N CYS A 299 8.940 0.573 -4.427 1.00 0.18 N ATOM 143 CA CYS A 299 7.706 1.329 -4.485 1.00 0.17 C ATOM 144 C CYS A 299 7.111 1.283 -5.884 1.00 0.18 C ATOM 145 O CYS A 299 7.817 1.459 -6.873 1.00 0.21 O ATOM 146 CB CYS A 299 7.980 2.773 -4.080 1.00 0.17 C ATOM 147 SG CYS A 299 6.551 3.891 -4.256 1.00 0.17 S ATOM 0 H CYS A 299 9.779 1.149 -4.354 1.00 0.18 H new ATOM 0 HA CYS A 299 6.987 0.886 -3.796 1.00 0.17 H new ATOM 0 HB2 CYS A 299 8.312 2.789 -3.042 1.00 0.17 H new ATOM 0 HB3 CYS A 299 8.802 3.157 -4.684 1.00 0.17 H new ATOM 152 N ALA A 300 5.797 1.090 -5.953 1.00 0.21 N ATOM 153 CA ALA A 300 5.080 1.029 -7.224 1.00 0.26 C ATOM 154 C ALA A 300 5.141 2.362 -7.964 1.00 0.26 C ATOM 155 O ALA A 300 4.841 2.442 -9.156 1.00 0.31 O ATOM 156 CB ALA A 300 3.634 0.642 -6.982 1.00 0.31 C ATOM 0 H ALA A 300 5.201 0.972 -5.134 1.00 0.21 H new ATOM 0 HA ALA A 300 5.563 0.275 -7.846 1.00 0.26 H new ATOM 0 HB1 ALA A 300 3.105 0.598 -7.934 1.00 0.31 H new ATOM 0 HB2 ALA A 300 3.595 -0.335 -6.500 1.00 0.31 H new ATOM 0 HB3 ALA A 300 3.162 1.384 -6.338 1.00 0.31 H new ATOM 162 N VAL A 301 5.522 3.406 -7.242 1.00 0.22 N ATOM 163 CA VAL A 301 5.601 4.748 -7.800 1.00 0.23 C ATOM 164 C VAL A 301 6.909 4.962 -8.561 1.00 0.25 C ATOM 165 O VAL A 301 6.905 5.100 -9.781 1.00 0.31 O ATOM 166 CB VAL A 301 5.466 5.817 -6.688 1.00 0.20 C ATOM 167 CG1 VAL A 301 5.706 7.219 -7.229 1.00 0.22 C ATOM 168 CG2 VAL A 301 4.095 5.727 -6.031 1.00 0.22 C ATOM 0 H VAL A 301 5.784 3.347 -6.258 1.00 0.22 H new ATOM 0 HA VAL A 301 4.772 4.854 -8.500 1.00 0.23 H new ATOM 0 HB VAL A 301 6.231 5.616 -5.938 1.00 0.20 H new ATOM 0 HG11 VAL A 301 5.603 7.943 -6.421 1.00 0.22 H new ATOM 0 HG12 VAL A 301 6.711 7.281 -7.646 1.00 0.22 H new ATOM 0 HG13 VAL A 301 4.976 7.438 -8.008 1.00 0.22 H new ATOM 0 HG21 VAL A 301 4.015 6.484 -5.251 1.00 0.22 H new ATOM 0 HG22 VAL A 301 3.321 5.894 -6.780 1.00 0.22 H new ATOM 0 HG23 VAL A 301 3.967 4.738 -5.591 1.00 0.22 H new ATOM 178 N CYS A 302 8.026 4.966 -7.844 1.00 0.25 N ATOM 179 CA CYS A 302 9.311 5.314 -8.446 1.00 0.31 C ATOM 180 C CYS A 302 10.243 4.111 -8.556 1.00 0.29 C ATOM 181 O CYS A 302 11.401 4.255 -8.941 1.00 0.33 O ATOM 182 CB CYS A 302 9.976 6.421 -7.630 1.00 0.34 C ATOM 183 SG CYS A 302 10.026 6.080 -5.844 1.00 0.29 S ATOM 0 H CYS A 302 8.071 4.734 -6.852 1.00 0.25 H new ATOM 0 HA CYS A 302 9.118 5.664 -9.460 1.00 0.31 H new ATOM 0 HB2 CYS A 302 10.994 6.566 -7.992 1.00 0.34 H new ATOM 0 HB3 CYS A 302 9.441 7.356 -7.798 1.00 0.34 H new ATOM 188 N ARG A 303 9.723 2.929 -8.218 1.00 0.27 N ATOM 189 CA ARG A 303 10.479 1.675 -8.314 1.00 0.30 C ATOM 190 C ARG A 303 11.752 1.714 -7.477 1.00 0.26 C ATOM 191 O ARG A 303 12.755 1.076 -7.806 1.00 0.29 O ATOM 192 CB ARG A 303 10.791 1.353 -9.777 1.00 0.41 C ATOM 193 CG ARG A 303 9.538 1.151 -10.608 1.00 0.54 C ATOM 194 CD ARG A 303 8.638 0.111 -9.969 1.00 0.66 C ATOM 195 NE ARG A 303 7.354 -0.029 -10.643 1.00 1.24 N ATOM 196 CZ ARG A 303 6.461 -0.962 -10.320 1.00 1.48 C ATOM 197 NH1 ARG A 303 6.694 -1.773 -9.291 1.00 1.13 N ATOM 198 NH2 ARG A 303 5.331 -1.072 -11.006 1.00 2.38 N ATOM 0 H ARG A 303 8.771 2.812 -7.871 1.00 0.27 H new ATOM 0 HA ARG A 303 9.856 0.878 -7.908 1.00 0.30 H new ATOM 0 HB2 ARG A 303 11.381 2.163 -10.206 1.00 0.41 H new ATOM 0 HB3 ARG A 303 11.404 0.453 -9.825 1.00 0.41 H new ATOM 0 HG2 ARG A 303 9.002 2.095 -10.703 1.00 0.54 H new ATOM 0 HG3 ARG A 303 9.810 0.836 -11.615 1.00 0.54 H new ATOM 0 HD2 ARG A 303 9.149 -0.852 -9.970 1.00 0.66 H new ATOM 0 HD3 ARG A 303 8.466 0.379 -8.927 1.00 0.66 H new ATOM 0 HE ARG A 303 7.129 0.619 -11.398 1.00 1.24 H new ATOM 0 HH11 ARG A 303 7.555 -1.679 -8.752 1.00 1.13 H new ATOM 0 HH12 ARG A 303 6.012 -2.489 -9.041 1.00 1.13 H new ATOM 0 HH21 ARG A 303 5.143 -0.440 -11.785 1.00 2.38 H new ATOM 0 HH22 ARG A 303 4.650 -1.788 -10.755 1.00 2.38 H new ATOM 212 N ASP A 304 11.691 2.455 -6.383 1.00 0.24 N ATOM 213 CA ASP A 304 12.816 2.591 -5.473 1.00 0.27 C ATOM 214 C ASP A 304 12.482 1.899 -4.156 1.00 0.24 C ATOM 215 O ASP A 304 11.311 1.673 -3.851 1.00 0.31 O ATOM 216 CB ASP A 304 13.111 4.075 -5.256 1.00 0.34 C ATOM 217 CG ASP A 304 14.377 4.345 -4.466 1.00 0.77 C ATOM 218 OD1 ASP A 304 15.150 3.406 -4.218 1.00 1.21 O ATOM 219 OD2 ASP A 304 14.616 5.515 -4.109 1.00 1.54 O ATOM 0 H ASP A 304 10.862 2.978 -6.101 1.00 0.24 H new ATOM 0 HA ASP A 304 13.704 2.121 -5.894 1.00 0.27 H new ATOM 0 HB2 ASP A 304 13.190 4.565 -6.227 1.00 0.34 H new ATOM 0 HB3 ASP A 304 12.267 4.530 -4.737 1.00 0.34 H new ATOM 224 N GLY A 305 13.502 1.565 -3.387 1.00 0.27 N ATOM 225 CA GLY A 305 13.298 0.838 -2.153 1.00 0.31 C ATOM 226 C GLY A 305 13.598 1.688 -0.939 1.00 0.35 C ATOM 227 O GLY A 305 13.615 2.917 -1.023 1.00 0.70 O ATOM 0 H GLY A 305 14.476 1.786 -3.596 1.00 0.27 H new ATOM 0 HA2 GLY A 305 12.267 0.488 -2.105 1.00 0.31 H new ATOM 0 HA3 GLY A 305 13.936 -0.046 -2.143 1.00 0.31 H new ATOM 231 N GLY A 306 13.839 1.044 0.187 1.00 0.33 N ATOM 232 CA GLY A 306 14.139 1.773 1.396 1.00 0.35 C ATOM 233 C GLY A 306 13.016 1.696 2.403 1.00 0.34 C ATOM 234 O GLY A 306 12.594 0.601 2.785 1.00 0.40 O ATOM 0 H GLY A 306 13.832 0.029 0.286 1.00 0.33 H new ATOM 0 HA2 GLY A 306 15.051 1.376 1.841 1.00 0.35 H new ATOM 0 HA3 GLY A 306 14.333 2.817 1.150 1.00 0.35 H new ATOM 238 N GLU A 307 12.533 2.857 2.818 1.00 0.37 N ATOM 239 CA GLU A 307 11.458 2.957 3.797 1.00 0.42 C ATOM 240 C GLU A 307 10.102 2.758 3.125 1.00 0.33 C ATOM 241 O GLU A 307 9.381 3.714 2.830 1.00 0.39 O ATOM 242 CB GLU A 307 11.530 4.317 4.492 1.00 0.59 C ATOM 243 CG GLU A 307 12.835 4.524 5.236 1.00 0.74 C ATOM 244 CD GLU A 307 13.106 5.977 5.547 1.00 1.17 C ATOM 245 OE1 GLU A 307 12.522 6.490 6.524 1.00 1.51 O ATOM 246 OE2 GLU A 307 13.893 6.613 4.816 1.00 1.91 O ATOM 0 H GLU A 307 12.875 3.759 2.486 1.00 0.37 H new ATOM 0 HA GLU A 307 11.576 2.172 4.544 1.00 0.42 H new ATOM 0 HB2 GLU A 307 11.410 5.107 3.750 1.00 0.59 H new ATOM 0 HB3 GLU A 307 10.699 4.408 5.192 1.00 0.59 H new ATOM 0 HG2 GLU A 307 12.812 3.956 6.166 1.00 0.74 H new ATOM 0 HG3 GLU A 307 13.656 4.125 4.639 1.00 0.74 H new ATOM 253 N LEU A 308 9.780 1.501 2.879 1.00 0.24 N ATOM 254 CA LEU A 308 8.567 1.138 2.161 1.00 0.16 C ATOM 255 C LEU A 308 7.383 0.926 3.097 1.00 0.15 C ATOM 256 O LEU A 308 7.546 0.575 4.269 1.00 0.21 O ATOM 257 CB LEU A 308 8.804 -0.133 1.360 1.00 0.16 C ATOM 258 CG LEU A 308 9.875 -0.029 0.281 1.00 0.15 C ATOM 259 CD1 LEU A 308 10.240 -1.410 -0.220 1.00 0.18 C ATOM 260 CD2 LEU A 308 9.395 0.843 -0.872 1.00 0.14 C ATOM 0 H LEU A 308 10.348 0.705 3.169 1.00 0.24 H new ATOM 0 HA LEU A 308 8.324 1.968 1.497 1.00 0.16 H new ATOM 0 HB2 LEU A 308 9.081 -0.931 2.049 1.00 0.16 H new ATOM 0 HB3 LEU A 308 7.865 -0.428 0.891 1.00 0.16 H new ATOM 0 HG LEU A 308 10.761 0.436 0.714 1.00 0.15 H new ATOM 0 HD11 LEU A 308 11.006 -1.327 -0.991 1.00 0.18 H new ATOM 0 HD12 LEU A 308 10.622 -2.008 0.607 1.00 0.18 H new ATOM 0 HD13 LEU A 308 9.356 -1.891 -0.638 1.00 0.18 H new ATOM 0 HD21 LEU A 308 10.175 0.904 -1.631 1.00 0.14 H new ATOM 0 HD22 LEU A 308 8.497 0.407 -1.309 1.00 0.14 H new ATOM 0 HD23 LEU A 308 9.170 1.843 -0.502 1.00 0.14 H new ATOM 272 N ILE A 309 6.199 1.149 2.551 1.00 0.12 N ATOM 273 CA ILE A 309 4.951 0.823 3.212 1.00 0.12 C ATOM 274 C ILE A 309 4.105 -0.031 2.263 1.00 0.11 C ATOM 275 O ILE A 309 3.693 0.421 1.196 1.00 0.15 O ATOM 276 CB ILE A 309 4.176 2.093 3.650 1.00 0.13 C ATOM 277 CG1 ILE A 309 2.802 1.720 4.223 1.00 0.15 C ATOM 278 CG2 ILE A 309 4.033 3.080 2.498 1.00 0.14 C ATOM 279 CD1 ILE A 309 1.966 2.914 4.635 1.00 0.21 C ATOM 0 H ILE A 309 6.078 1.565 1.628 1.00 0.12 H new ATOM 0 HA ILE A 309 5.170 0.265 4.122 1.00 0.12 H new ATOM 0 HB ILE A 309 4.753 2.582 4.435 1.00 0.13 H new ATOM 0 HG12 ILE A 309 2.253 1.143 3.479 1.00 0.15 H new ATOM 0 HG13 ILE A 309 2.943 1.072 5.088 1.00 0.15 H new ATOM 0 HG21 ILE A 309 3.485 3.959 2.838 1.00 0.14 H new ATOM 0 HG22 ILE A 309 5.022 3.380 2.151 1.00 0.14 H new ATOM 0 HG23 ILE A 309 3.489 2.608 1.680 1.00 0.14 H new ATOM 0 HD11 ILE A 309 1.010 2.570 5.030 1.00 0.21 H new ATOM 0 HD12 ILE A 309 2.493 3.480 5.403 1.00 0.21 H new ATOM 0 HD13 ILE A 309 1.792 3.553 3.769 1.00 0.21 H new ATOM 291 N CYS A 310 3.900 -1.280 2.634 1.00 0.12 N ATOM 292 CA CYS A 310 3.243 -2.237 1.760 1.00 0.12 C ATOM 293 C CYS A 310 1.802 -2.460 2.188 1.00 0.11 C ATOM 294 O CYS A 310 1.470 -2.390 3.377 1.00 0.12 O ATOM 295 CB CYS A 310 4.013 -3.560 1.768 1.00 0.14 C ATOM 296 SG CYS A 310 3.343 -4.830 0.671 1.00 1.36 S ATOM 0 H CYS A 310 4.180 -1.659 3.539 1.00 0.12 H new ATOM 0 HA CYS A 310 3.235 -1.835 0.747 1.00 0.12 H new ATOM 0 HB2 CYS A 310 5.048 -3.364 1.486 1.00 0.14 H new ATOM 0 HB3 CYS A 310 4.028 -3.950 2.786 1.00 0.14 H new ATOM 0 HG CYS A 310 2.807 -4.265 -0.370 1.00 1.36 H new ATOM 302 N CYS A 311 0.948 -2.695 1.207 1.00 0.11 N ATOM 303 CA CYS A 311 -0.458 -2.966 1.450 1.00 0.12 C ATOM 304 C CYS A 311 -0.670 -4.383 1.976 1.00 0.14 C ATOM 305 O CYS A 311 0.137 -5.282 1.721 1.00 0.17 O ATOM 306 CB CYS A 311 -1.258 -2.753 0.163 1.00 0.16 C ATOM 307 SG CYS A 311 -3.028 -3.182 0.285 1.00 0.20 S ATOM 0 H CYS A 311 1.209 -2.703 0.221 1.00 0.11 H new ATOM 0 HA CYS A 311 -0.811 -2.273 2.214 1.00 0.12 H new ATOM 0 HB2 CYS A 311 -1.171 -1.708 -0.134 1.00 0.16 H new ATOM 0 HB3 CYS A 311 -0.808 -3.348 -0.631 1.00 0.16 H new ATOM 312 N ASP A 312 -1.734 -4.568 2.742 1.00 0.19 N ATOM 313 CA ASP A 312 -2.127 -5.896 3.192 1.00 0.26 C ATOM 314 C ASP A 312 -2.440 -6.808 2.007 1.00 0.27 C ATOM 315 O ASP A 312 -1.739 -7.790 1.767 1.00 0.31 O ATOM 316 CB ASP A 312 -3.322 -5.849 4.144 1.00 0.35 C ATOM 317 CG ASP A 312 -3.691 -7.236 4.637 1.00 0.53 C ATOM 318 OD1 ASP A 312 -2.938 -7.796 5.461 1.00 0.66 O ATOM 319 OD2 ASP A 312 -4.725 -7.778 4.196 1.00 0.64 O ATOM 0 H ASP A 312 -2.342 -3.815 3.066 1.00 0.19 H new ATOM 0 HA ASP A 312 -1.278 -6.306 3.739 1.00 0.26 H new ATOM 0 HB2 ASP A 312 -3.087 -5.209 4.995 1.00 0.35 H new ATOM 0 HB3 ASP A 312 -4.177 -5.402 3.636 1.00 0.35 H new ATOM 324 N GLY A 313 -3.504 -6.469 1.284 1.00 0.29 N ATOM 325 CA GLY A 313 -4.035 -7.343 0.248 1.00 0.37 C ATOM 326 C GLY A 313 -3.182 -7.442 -1.007 1.00 0.28 C ATOM 327 O GLY A 313 -3.371 -8.361 -1.804 1.00 0.31 O ATOM 0 H GLY A 313 -4.014 -5.593 1.399 1.00 0.29 H new ATOM 0 HA2 GLY A 313 -4.159 -8.342 0.665 1.00 0.37 H new ATOM 0 HA3 GLY A 313 -5.027 -6.989 -0.032 1.00 0.37 H new ATOM 331 N CYS A 314 -2.253 -6.515 -1.203 1.00 0.25 N ATOM 332 CA CYS A 314 -1.416 -6.534 -2.398 1.00 0.24 C ATOM 333 C CYS A 314 0.050 -6.302 -2.046 1.00 0.18 C ATOM 334 O CYS A 314 0.378 -5.405 -1.268 1.00 0.17 O ATOM 335 CB CYS A 314 -1.890 -5.508 -3.434 1.00 0.35 C ATOM 336 SG CYS A 314 -1.797 -3.773 -2.889 1.00 1.34 S ATOM 0 H CYS A 314 -2.060 -5.748 -0.559 1.00 0.25 H new ATOM 0 HA CYS A 314 -1.509 -7.525 -2.842 1.00 0.24 H new ATOM 0 HB2 CYS A 314 -1.292 -5.623 -4.338 1.00 0.35 H new ATOM 0 HB3 CYS A 314 -2.922 -5.735 -3.703 1.00 0.35 H new ATOM 341 N PRO A 315 0.944 -7.129 -2.620 1.00 0.22 N ATOM 342 CA PRO A 315 2.389 -7.127 -2.314 1.00 0.23 C ATOM 343 C PRO A 315 3.103 -5.818 -2.655 1.00 0.19 C ATOM 344 O PRO A 315 4.283 -5.657 -2.339 1.00 0.22 O ATOM 345 CB PRO A 315 2.947 -8.255 -3.190 1.00 0.33 C ATOM 346 CG PRO A 315 1.771 -9.096 -3.540 1.00 0.52 C ATOM 347 CD PRO A 315 0.608 -8.154 -3.619 1.00 0.31 C ATOM 0 HA PRO A 315 2.547 -7.254 -1.243 1.00 0.23 H new ATOM 0 HB2 PRO A 315 3.427 -7.858 -4.084 1.00 0.33 H new ATOM 0 HB3 PRO A 315 3.699 -8.834 -2.654 1.00 0.33 H new ATOM 0 HG2 PRO A 315 1.925 -9.609 -4.490 1.00 0.52 H new ATOM 0 HG3 PRO A 315 1.601 -9.865 -2.786 1.00 0.52 H new ATOM 0 HD2 PRO A 315 0.502 -7.726 -4.616 1.00 0.31 H new ATOM 0 HD3 PRO A 315 -0.332 -8.653 -3.385 1.00 0.31 H new ATOM 355 N ARG A 316 2.402 -4.893 -3.303 1.00 0.18 N ATOM 356 CA ARG A 316 2.990 -3.606 -3.652 1.00 0.18 C ATOM 357 C ARG A 316 3.357 -2.815 -2.406 1.00 0.14 C ATOM 358 O ARG A 316 2.545 -2.662 -1.487 1.00 0.17 O ATOM 359 CB ARG A 316 2.047 -2.764 -4.516 1.00 0.22 C ATOM 360 CG ARG A 316 2.041 -3.141 -5.988 1.00 0.32 C ATOM 361 CD ARG A 316 1.388 -2.054 -6.829 1.00 0.39 C ATOM 362 NE ARG A 316 1.412 -2.375 -8.255 1.00 0.67 N ATOM 363 CZ ARG A 316 1.196 -1.492 -9.232 1.00 0.87 C ATOM 364 NH1 ARG A 316 0.860 -0.237 -8.954 1.00 1.30 N ATOM 365 NH2 ARG A 316 1.294 -1.876 -10.496 1.00 1.11 N ATOM 0 H ARG A 316 1.432 -5.010 -3.595 1.00 0.18 H new ATOM 0 HA ARG A 316 3.892 -3.823 -4.225 1.00 0.18 H new ATOM 0 HB2 ARG A 316 1.034 -2.858 -4.125 1.00 0.22 H new ATOM 0 HB3 ARG A 316 2.328 -1.715 -4.423 1.00 0.22 H new ATOM 0 HG2 ARG A 316 3.063 -3.304 -6.329 1.00 0.32 H new ATOM 0 HG3 ARG A 316 1.506 -4.081 -6.124 1.00 0.32 H new ATOM 0 HD2 ARG A 316 0.356 -1.917 -6.506 1.00 0.39 H new ATOM 0 HD3 ARG A 316 1.903 -1.108 -6.662 1.00 0.39 H new ATOM 0 HE ARG A 316 1.607 -3.340 -8.521 1.00 0.67 H new ATOM 0 HH11 ARG A 316 0.764 0.062 -7.984 1.00 1.30 H new ATOM 0 HH12 ARG A 316 0.698 0.427 -9.711 1.00 1.30 H new ATOM 0 HH21 ARG A 316 1.533 -2.842 -10.718 1.00 1.11 H new ATOM 0 HH22 ARG A 316 1.130 -1.205 -11.247 1.00 1.11 H new ATOM 379 N ALA A 317 4.586 -2.324 -2.377 1.00 0.12 N ATOM 380 CA ALA A 317 5.028 -1.417 -1.338 1.00 0.11 C ATOM 381 C ALA A 317 5.217 -0.037 -1.946 1.00 0.10 C ATOM 382 O ALA A 317 5.356 0.095 -3.162 1.00 0.14 O ATOM 383 CB ALA A 317 6.315 -1.912 -0.691 1.00 0.14 C ATOM 0 H ALA A 317 5.300 -2.544 -3.071 1.00 0.12 H new ATOM 0 HA ALA A 317 4.274 -1.368 -0.552 1.00 0.11 H new ATOM 0 HB1 ALA A 317 6.624 -1.212 0.085 1.00 0.14 H new ATOM 0 HB2 ALA A 317 6.146 -2.894 -0.248 1.00 0.14 H new ATOM 0 HB3 ALA A 317 7.097 -1.985 -1.446 1.00 0.14 H new ATOM 389 N PHE A 318 5.184 0.990 -1.117 1.00 0.11 N ATOM 390 CA PHE A 318 5.275 2.355 -1.608 1.00 0.10 C ATOM 391 C PHE A 318 6.156 3.200 -0.702 1.00 0.11 C ATOM 392 O PHE A 318 6.566 2.759 0.365 1.00 0.14 O ATOM 393 CB PHE A 318 3.886 2.996 -1.658 1.00 0.12 C ATOM 394 CG PHE A 318 2.835 2.183 -2.363 1.00 0.13 C ATOM 395 CD1 PHE A 318 2.109 1.219 -1.684 1.00 0.15 C ATOM 396 CD2 PHE A 318 2.594 2.371 -3.715 1.00 0.18 C ATOM 397 CE1 PHE A 318 1.160 0.460 -2.341 1.00 0.19 C ATOM 398 CE2 PHE A 318 1.649 1.614 -4.375 1.00 0.21 C ATOM 399 CZ PHE A 318 0.860 0.707 -3.637 1.00 0.21 C ATOM 0 H PHE A 318 5.095 0.907 -0.104 1.00 0.11 H new ATOM 0 HA PHE A 318 5.708 2.316 -2.607 1.00 0.10 H new ATOM 0 HB2 PHE A 318 3.553 3.186 -0.638 1.00 0.12 H new ATOM 0 HB3 PHE A 318 3.967 3.964 -2.152 1.00 0.12 H new ATOM 0 HD1 PHE A 318 2.286 1.059 -0.631 1.00 0.15 H new ATOM 0 HD2 PHE A 318 3.153 3.119 -4.258 1.00 0.18 H new ATOM 0 HE1 PHE A 318 0.654 -0.337 -1.816 1.00 0.19 H new ATOM 0 HE2 PHE A 318 1.515 1.714 -5.442 1.00 0.21 H new ATOM 0 HZ PHE A 318 0.021 0.212 -4.104 1.00 0.21 H new ATOM 409 N HIS A 319 6.449 4.411 -1.150 1.00 0.11 N ATOM 410 CA HIS A 319 7.075 5.412 -0.300 1.00 0.12 C ATOM 411 C HIS A 319 6.001 6.354 0.213 1.00 0.12 C ATOM 412 O HIS A 319 5.042 6.633 -0.513 1.00 0.13 O ATOM 413 CB HIS A 319 8.136 6.216 -1.059 1.00 0.14 C ATOM 414 CG HIS A 319 9.360 5.428 -1.412 1.00 0.14 C ATOM 415 ND1 HIS A 319 9.639 5.092 -2.713 1.00 0.16 N ATOM 416 CD2 HIS A 319 10.348 4.957 -0.612 1.00 0.17 C ATOM 417 CE1 HIS A 319 10.779 4.430 -2.680 1.00 0.18 C ATOM 418 NE2 HIS A 319 11.247 4.325 -1.432 1.00 0.18 N ATOM 0 H HIS A 319 6.262 4.725 -2.102 1.00 0.11 H new ATOM 0 HA HIS A 319 7.571 4.903 0.526 1.00 0.12 H new ATOM 0 HB2 HIS A 319 7.693 6.610 -1.974 1.00 0.14 H new ATOM 0 HB3 HIS A 319 8.430 7.073 -0.453 1.00 0.14 H new ATOM 0 HD2 HIS A 319 10.414 5.060 0.461 1.00 0.17 H new ATOM 0 HE1 HIS A 319 11.272 4.024 -3.551 1.00 0.18 H new ATOM 0 HE2 HIS A 319 12.109 3.862 -1.144 1.00 0.18 H new ATOM 426 N LEU A 320 6.154 6.846 1.433 1.00 0.14 N ATOM 427 CA LEU A 320 5.110 7.647 2.070 1.00 0.15 C ATOM 428 C LEU A 320 4.698 8.835 1.204 1.00 0.14 C ATOM 429 O LEU A 320 3.518 9.002 0.879 1.00 0.15 O ATOM 430 CB LEU A 320 5.572 8.139 3.441 1.00 0.18 C ATOM 431 CG LEU A 320 5.733 7.054 4.505 1.00 0.22 C ATOM 432 CD1 LEU A 320 6.151 7.667 5.834 1.00 0.27 C ATOM 433 CD2 LEU A 320 4.437 6.272 4.661 1.00 0.23 C ATOM 0 H LEU A 320 6.988 6.707 2.004 1.00 0.14 H new ATOM 0 HA LEU A 320 4.239 7.003 2.193 1.00 0.15 H new ATOM 0 HB2 LEU A 320 6.526 8.652 3.322 1.00 0.18 H new ATOM 0 HB3 LEU A 320 4.857 8.877 3.804 1.00 0.18 H new ATOM 0 HG LEU A 320 6.516 6.367 4.184 1.00 0.22 H new ATOM 0 HD11 LEU A 320 6.261 6.879 6.579 1.00 0.27 H new ATOM 0 HD12 LEU A 320 7.102 8.186 5.712 1.00 0.27 H new ATOM 0 HD13 LEU A 320 5.390 8.375 6.163 1.00 0.27 H new ATOM 0 HD21 LEU A 320 4.566 5.502 5.422 1.00 0.23 H new ATOM 0 HD22 LEU A 320 3.637 6.949 4.961 1.00 0.23 H new ATOM 0 HD23 LEU A 320 4.178 5.804 3.711 1.00 0.23 H new ATOM 445 N ALA A 321 5.680 9.628 0.798 1.00 0.15 N ATOM 446 CA ALA A 321 5.430 10.850 0.041 1.00 0.16 C ATOM 447 C ALA A 321 5.064 10.551 -1.411 1.00 0.16 C ATOM 448 O ALA A 321 4.442 11.374 -2.087 1.00 0.20 O ATOM 449 CB ALA A 321 6.654 11.748 0.096 1.00 0.19 C ATOM 0 H ALA A 321 6.667 9.446 0.982 1.00 0.15 H new ATOM 0 HA ALA A 321 4.581 11.359 0.497 1.00 0.16 H new ATOM 0 HB1 ALA A 321 6.463 12.659 -0.471 1.00 0.19 H new ATOM 0 HB2 ALA A 321 6.871 12.004 1.133 1.00 0.19 H new ATOM 0 HB3 ALA A 321 7.508 11.226 -0.335 1.00 0.19 H new ATOM 455 N CYS A 322 5.455 9.380 -1.886 1.00 0.15 N ATOM 456 CA CYS A 322 5.217 9.003 -3.275 1.00 0.16 C ATOM 457 C CYS A 322 3.771 8.570 -3.496 1.00 0.14 C ATOM 458 O CYS A 322 3.264 8.632 -4.615 1.00 0.18 O ATOM 459 CB CYS A 322 6.179 7.892 -3.696 1.00 0.17 C ATOM 460 SG CYS A 322 7.934 8.380 -3.649 1.00 0.21 S ATOM 0 H CYS A 322 5.939 8.672 -1.333 1.00 0.15 H new ATOM 0 HA CYS A 322 5.398 9.881 -3.896 1.00 0.16 H new ATOM 0 HB2 CYS A 322 6.033 7.032 -3.043 1.00 0.17 H new ATOM 0 HB3 CYS A 322 5.928 7.571 -4.707 1.00 0.17 H new ATOM 465 N LEU A 323 3.113 8.135 -2.431 1.00 0.13 N ATOM 466 CA LEU A 323 1.710 7.737 -2.503 1.00 0.15 C ATOM 467 C LEU A 323 0.805 8.899 -2.881 1.00 0.19 C ATOM 468 O LEU A 323 1.179 10.064 -2.753 1.00 0.20 O ATOM 469 CB LEU A 323 1.255 7.172 -1.161 1.00 0.15 C ATOM 470 CG LEU A 323 1.638 5.721 -0.905 1.00 0.15 C ATOM 471 CD1 LEU A 323 1.496 5.386 0.569 1.00 0.19 C ATOM 472 CD2 LEU A 323 0.765 4.805 -1.746 1.00 0.20 C ATOM 0 H LEU A 323 3.528 8.048 -1.503 1.00 0.13 H new ATOM 0 HA LEU A 323 1.633 6.976 -3.280 1.00 0.15 H new ATOM 0 HB2 LEU A 323 1.674 7.787 -0.365 1.00 0.15 H new ATOM 0 HB3 LEU A 323 0.171 7.262 -1.096 1.00 0.15 H new ATOM 0 HG LEU A 323 2.680 5.574 -1.187 1.00 0.15 H new ATOM 0 HD11 LEU A 323 1.774 4.345 0.734 1.00 0.19 H new ATOM 0 HD12 LEU A 323 2.150 6.033 1.154 1.00 0.19 H new ATOM 0 HD13 LEU A 323 0.462 5.539 0.879 1.00 0.19 H new ATOM 0 HD21 LEU A 323 1.042 3.767 -1.560 1.00 0.20 H new ATOM 0 HD22 LEU A 323 -0.281 4.955 -1.480 1.00 0.20 H new ATOM 0 HD23 LEU A 323 0.907 5.035 -2.802 1.00 0.20 H new ATOM 484 N SER A 324 -0.377 8.570 -3.376 1.00 0.24 N ATOM 485 CA SER A 324 -1.421 9.546 -3.607 1.00 0.30 C ATOM 486 C SER A 324 -2.769 8.957 -3.192 1.00 0.33 C ATOM 487 O SER A 324 -3.250 8.001 -3.808 1.00 0.38 O ATOM 488 CB SER A 324 -1.447 9.961 -5.077 1.00 0.39 C ATOM 489 OG SER A 324 -2.394 10.992 -5.306 1.00 0.93 O ATOM 0 H SER A 324 -0.637 7.616 -3.628 1.00 0.24 H new ATOM 0 HA SER A 324 -1.221 10.434 -3.008 1.00 0.30 H new ATOM 0 HB2 SER A 324 -0.456 10.301 -5.378 1.00 0.39 H new ATOM 0 HB3 SER A 324 -1.690 9.098 -5.696 1.00 0.39 H new ATOM 0 HG SER A 324 -2.387 11.238 -6.255 1.00 0.93 H new ATOM 495 N PRO A 325 -3.381 9.486 -2.118 1.00 0.33 N ATOM 496 CA PRO A 325 -2.805 10.561 -1.299 1.00 0.30 C ATOM 497 C PRO A 325 -1.594 10.087 -0.497 1.00 0.26 C ATOM 498 O PRO A 325 -1.552 8.945 -0.038 1.00 0.31 O ATOM 499 CB PRO A 325 -3.952 10.951 -0.350 1.00 0.35 C ATOM 500 CG PRO A 325 -5.173 10.314 -0.918 1.00 0.61 C ATOM 501 CD PRO A 325 -4.700 9.080 -1.619 1.00 0.40 C ATOM 0 HA PRO A 325 -2.444 11.387 -1.911 1.00 0.30 H new ATOM 0 HB2 PRO A 325 -3.760 10.598 0.663 1.00 0.35 H new ATOM 0 HB3 PRO A 325 -4.064 12.034 -0.294 1.00 0.35 H new ATOM 0 HG2 PRO A 325 -5.887 10.068 -0.132 1.00 0.61 H new ATOM 0 HG3 PRO A 325 -5.679 10.987 -1.610 1.00 0.61 H new ATOM 0 HD2 PRO A 325 -4.633 8.228 -0.942 1.00 0.40 H new ATOM 0 HD3 PRO A 325 -5.370 8.791 -2.429 1.00 0.40 H new ATOM 509 N PRO A 326 -0.591 10.960 -0.333 1.00 0.22 N ATOM 510 CA PRO A 326 0.638 10.634 0.386 1.00 0.20 C ATOM 511 C PRO A 326 0.411 10.505 1.886 1.00 0.21 C ATOM 512 O PRO A 326 -0.271 11.332 2.497 1.00 0.28 O ATOM 513 CB PRO A 326 1.578 11.812 0.092 1.00 0.20 C ATOM 514 CG PRO A 326 0.886 12.659 -0.926 1.00 0.42 C ATOM 515 CD PRO A 326 -0.579 12.333 -0.844 1.00 0.27 C ATOM 0 HA PRO A 326 1.040 9.673 0.066 1.00 0.20 H new ATOM 0 HB2 PRO A 326 1.781 12.382 0.998 1.00 0.20 H new ATOM 0 HB3 PRO A 326 2.538 11.458 -0.284 1.00 0.20 H new ATOM 0 HG2 PRO A 326 1.058 13.717 -0.729 1.00 0.42 H new ATOM 0 HG3 PRO A 326 1.272 12.454 -1.925 1.00 0.42 H new ATOM 0 HD2 PRO A 326 -1.106 13.015 -0.177 1.00 0.27 H new ATOM 0 HD3 PRO A 326 -1.062 12.404 -1.819 1.00 0.27 H new ATOM 523 N LEU A 327 0.985 9.472 2.473 1.00 0.23 N ATOM 524 CA LEU A 327 0.877 9.254 3.905 1.00 0.25 C ATOM 525 C LEU A 327 2.005 9.968 4.626 1.00 0.25 C ATOM 526 O LEU A 327 3.172 9.783 4.301 1.00 0.32 O ATOM 527 CB LEU A 327 0.910 7.761 4.248 1.00 0.29 C ATOM 528 CG LEU A 327 -0.429 7.020 4.159 1.00 0.35 C ATOM 529 CD1 LEU A 327 -1.446 7.645 5.101 1.00 1.03 C ATOM 530 CD2 LEU A 327 -0.962 7.010 2.736 1.00 0.81 C ATOM 0 H LEU A 327 1.533 8.768 1.979 1.00 0.23 H new ATOM 0 HA LEU A 327 -0.081 9.658 4.232 1.00 0.25 H new ATOM 0 HB2 LEU A 327 1.619 7.271 3.580 1.00 0.29 H new ATOM 0 HB3 LEU A 327 1.297 7.650 5.261 1.00 0.29 H new ATOM 0 HG LEU A 327 -0.259 5.986 4.460 1.00 0.35 H new ATOM 0 HD11 LEU A 327 -2.391 7.107 5.025 1.00 1.03 H new ATOM 0 HD12 LEU A 327 -1.077 7.588 6.125 1.00 1.03 H new ATOM 0 HD13 LEU A 327 -1.600 8.689 4.829 1.00 1.03 H new ATOM 0 HD21 LEU A 327 -1.912 6.477 2.707 1.00 0.81 H new ATOM 0 HD22 LEU A 327 -1.110 8.035 2.396 1.00 0.81 H new ATOM 0 HD23 LEU A 327 -0.246 6.511 2.083 1.00 0.81 H new ATOM 542 N ARG A 328 1.652 10.791 5.598 1.00 0.25 N ATOM 543 CA ARG A 328 2.646 11.527 6.372 1.00 0.29 C ATOM 544 C ARG A 328 3.073 10.722 7.590 1.00 0.28 C ATOM 545 O ARG A 328 4.124 10.965 8.182 1.00 0.34 O ATOM 546 CB ARG A 328 2.081 12.869 6.827 1.00 0.38 C ATOM 547 CG ARG A 328 0.883 12.738 7.752 1.00 0.50 C ATOM 548 CD ARG A 328 0.587 14.044 8.465 1.00 0.93 C ATOM 549 NE ARG A 328 1.759 14.547 9.181 1.00 1.56 N ATOM 550 CZ ARG A 328 2.007 14.331 10.471 1.00 2.11 C ATOM 551 NH1 ARG A 328 1.200 13.567 11.203 1.00 2.14 N ATOM 552 NH2 ARG A 328 3.087 14.864 11.023 1.00 3.15 N ATOM 0 H ARG A 328 0.686 10.969 5.873 1.00 0.25 H new ATOM 0 HA ARG A 328 3.512 11.700 5.733 1.00 0.29 H new ATOM 0 HB2 ARG A 328 2.864 13.430 7.337 1.00 0.38 H new ATOM 0 HB3 ARG A 328 1.792 13.449 5.950 1.00 0.38 H new ATOM 0 HG2 ARG A 328 0.010 12.430 7.177 1.00 0.50 H new ATOM 0 HG3 ARG A 328 1.073 11.956 8.487 1.00 0.50 H new ATOM 0 HD2 ARG A 328 0.257 14.788 7.740 1.00 0.93 H new ATOM 0 HD3 ARG A 328 -0.233 13.897 9.167 1.00 0.93 H new ATOM 0 HE ARG A 328 2.434 15.102 8.655 1.00 1.56 H new ATOM 0 HH11 ARG A 328 0.379 13.138 10.777 1.00 2.14 H new ATOM 0 HH12 ARG A 328 1.403 13.410 12.190 1.00 2.14 H new ATOM 0 HH21 ARG A 328 3.719 15.434 10.460 1.00 3.15 H new ATOM 0 HH22 ARG A 328 3.286 14.705 12.011 1.00 3.15 H new ATOM 566 N GLU A 329 2.235 9.767 7.951 1.00 0.26 N ATOM 567 CA GLU A 329 2.440 8.958 9.141 1.00 0.30 C ATOM 568 C GLU A 329 2.076 7.504 8.854 1.00 0.22 C ATOM 569 O GLU A 329 1.218 7.226 8.015 1.00 0.27 O ATOM 570 CB GLU A 329 1.595 9.523 10.291 1.00 0.47 C ATOM 571 CG GLU A 329 0.115 9.644 9.955 1.00 0.71 C ATOM 572 CD GLU A 329 -0.632 10.596 10.869 1.00 1.11 C ATOM 573 OE1 GLU A 329 -1.101 10.148 11.941 1.00 1.23 O ATOM 574 OE2 GLU A 329 -0.733 11.795 10.540 1.00 1.57 O ATOM 0 H GLU A 329 1.392 9.530 7.428 1.00 0.26 H new ATOM 0 HA GLU A 329 3.490 8.990 9.432 1.00 0.30 H new ATOM 0 HB2 GLU A 329 1.710 8.882 11.165 1.00 0.47 H new ATOM 0 HB3 GLU A 329 1.979 10.506 10.564 1.00 0.47 H new ATOM 0 HG2 GLU A 329 0.010 9.983 8.925 1.00 0.71 H new ATOM 0 HG3 GLU A 329 -0.346 8.658 10.014 1.00 0.71 H new ATOM 581 N ILE A 330 2.754 6.585 9.532 1.00 0.21 N ATOM 582 CA ILE A 330 2.522 5.158 9.339 1.00 0.19 C ATOM 583 C ILE A 330 1.238 4.711 10.028 1.00 0.20 C ATOM 584 O ILE A 330 1.082 4.860 11.243 1.00 0.27 O ATOM 585 CB ILE A 330 3.713 4.315 9.854 1.00 0.25 C ATOM 586 CG1 ILE A 330 4.963 4.602 9.018 1.00 0.28 C ATOM 587 CG2 ILE A 330 3.384 2.824 9.824 1.00 0.26 C ATOM 588 CD1 ILE A 330 4.810 4.248 7.553 1.00 0.26 C ATOM 0 H ILE A 330 3.472 6.804 10.223 1.00 0.21 H new ATOM 0 HA ILE A 330 2.421 4.994 8.266 1.00 0.19 H new ATOM 0 HB ILE A 330 3.907 4.596 10.889 1.00 0.25 H new ATOM 0 HG12 ILE A 330 5.211 5.660 9.103 1.00 0.28 H new ATOM 0 HG13 ILE A 330 5.802 4.043 9.432 1.00 0.28 H new ATOM 0 HG21 ILE A 330 4.238 2.255 10.191 1.00 0.26 H new ATOM 0 HG22 ILE A 330 2.519 2.629 10.458 1.00 0.26 H new ATOM 0 HG23 ILE A 330 3.159 2.521 8.801 1.00 0.26 H new ATOM 0 HD11 ILE A 330 5.735 4.479 7.024 1.00 0.26 H new ATOM 0 HD12 ILE A 330 4.593 3.184 7.457 1.00 0.26 H new ATOM 0 HD13 ILE A 330 3.992 4.826 7.122 1.00 0.26 H new ATOM 600 N PRO A 331 0.300 4.177 9.232 1.00 0.19 N ATOM 601 CA PRO A 331 -0.964 3.633 9.730 1.00 0.23 C ATOM 602 C PRO A 331 -0.757 2.513 10.738 1.00 0.24 C ATOM 603 O PRO A 331 0.060 1.611 10.527 1.00 0.29 O ATOM 604 CB PRO A 331 -1.651 3.069 8.489 1.00 0.29 C ATOM 605 CG PRO A 331 -0.953 3.662 7.316 1.00 0.27 C ATOM 606 CD PRO A 331 0.413 4.090 7.770 1.00 0.19 C ATOM 0 HA PRO A 331 -1.540 4.402 10.244 1.00 0.23 H new ATOM 0 HB2 PRO A 331 -1.586 1.981 8.470 1.00 0.29 H new ATOM 0 HB3 PRO A 331 -2.710 3.326 8.481 1.00 0.29 H new ATOM 0 HG2 PRO A 331 -0.878 2.935 6.507 1.00 0.27 H new ATOM 0 HG3 PRO A 331 -1.512 4.514 6.928 1.00 0.27 H new ATOM 0 HD2 PRO A 331 1.175 3.369 7.472 1.00 0.19 H new ATOM 0 HD3 PRO A 331 0.694 5.049 7.335 1.00 0.19 H new ATOM 614 N SER A 332 -1.536 2.548 11.802 1.00 0.34 N ATOM 615 CA SER A 332 -1.409 1.582 12.882 1.00 0.45 C ATOM 616 C SER A 332 -2.397 0.435 12.693 1.00 0.37 C ATOM 617 O SER A 332 -3.092 0.031 13.626 1.00 0.60 O ATOM 618 CB SER A 332 -1.631 2.273 14.227 1.00 0.67 C ATOM 619 OG SER A 332 -0.702 3.329 14.406 1.00 1.66 O ATOM 0 H SER A 332 -2.271 3.241 11.944 1.00 0.34 H new ATOM 0 HA SER A 332 -0.402 1.165 12.866 1.00 0.45 H new ATOM 0 HB2 SER A 332 -2.647 2.663 14.278 1.00 0.67 H new ATOM 0 HB3 SER A 332 -1.527 1.549 15.035 1.00 0.67 H new ATOM 0 HG SER A 332 -0.860 3.761 15.271 1.00 1.66 H new ATOM 625 N GLY A 333 -2.445 -0.088 11.479 1.00 0.41 N ATOM 626 CA GLY A 333 -3.336 -1.184 11.171 1.00 0.34 C ATOM 627 C GLY A 333 -3.146 -1.681 9.759 1.00 0.36 C ATOM 628 O GLY A 333 -2.177 -1.310 9.090 1.00 0.46 O ATOM 0 H GLY A 333 -1.877 0.231 10.695 1.00 0.41 H new ATOM 0 HA2 GLY A 333 -3.162 -2.002 11.871 1.00 0.34 H new ATOM 0 HA3 GLY A 333 -4.369 -0.862 11.307 1.00 0.34 H new ATOM 632 N THR A 334 -4.069 -2.510 9.304 1.00 0.33 N ATOM 633 CA THR A 334 -4.030 -3.046 7.952 1.00 0.34 C ATOM 634 C THR A 334 -4.225 -1.942 6.916 1.00 0.29 C ATOM 635 O THR A 334 -5.270 -1.292 6.870 1.00 0.35 O ATOM 636 CB THR A 334 -5.107 -4.130 7.766 1.00 0.41 C ATOM 637 OG1 THR A 334 -6.204 -3.892 8.664 1.00 0.58 O ATOM 638 CG2 THR A 334 -4.526 -5.515 8.008 1.00 0.48 C ATOM 0 H THR A 334 -4.864 -2.830 9.857 1.00 0.33 H new ATOM 0 HA THR A 334 -3.047 -3.492 7.803 1.00 0.34 H new ATOM 0 HB THR A 334 -5.469 -4.084 6.739 1.00 0.41 H new ATOM 0 HG1 THR A 334 -6.886 -4.585 8.538 1.00 0.58 H new ATOM 0 HG21 THR A 334 -5.305 -6.265 7.871 1.00 0.48 H new ATOM 0 HG22 THR A 334 -3.717 -5.699 7.301 1.00 0.48 H new ATOM 0 HG23 THR A 334 -4.139 -5.575 9.025 1.00 0.48 H new ATOM 646 N TRP A 335 -3.212 -1.725 6.095 1.00 0.23 N ATOM 647 CA TRP A 335 -3.252 -0.652 5.120 1.00 0.20 C ATOM 648 C TRP A 335 -3.615 -1.181 3.735 1.00 0.17 C ATOM 649 O TRP A 335 -3.265 -2.306 3.379 1.00 0.18 O ATOM 650 CB TRP A 335 -1.911 0.075 5.083 1.00 0.21 C ATOM 651 CG TRP A 335 -1.923 1.289 4.210 1.00 0.20 C ATOM 652 CD1 TRP A 335 -2.454 2.504 4.515 1.00 0.23 C ATOM 653 CD2 TRP A 335 -1.392 1.396 2.890 1.00 0.20 C ATOM 654 NE1 TRP A 335 -2.294 3.365 3.460 1.00 0.24 N ATOM 655 CE2 TRP A 335 -1.643 2.707 2.446 1.00 0.23 C ATOM 656 CE3 TRP A 335 -0.732 0.507 2.037 1.00 0.21 C ATOM 657 CZ2 TRP A 335 -1.254 3.148 1.186 1.00 0.27 C ATOM 658 CZ3 TRP A 335 -0.347 0.948 0.789 1.00 0.26 C ATOM 659 CH2 TRP A 335 -0.610 2.256 0.372 1.00 0.29 C ATOM 0 H TRP A 335 -2.354 -2.277 6.085 1.00 0.23 H new ATOM 0 HA TRP A 335 -4.026 0.054 5.420 1.00 0.20 H new ATOM 0 HB2 TRP A 335 -1.635 0.367 6.096 1.00 0.21 H new ATOM 0 HB3 TRP A 335 -1.142 -0.612 4.729 1.00 0.21 H new ATOM 0 HD1 TRP A 335 -2.932 2.754 5.451 1.00 0.23 H new ATOM 0 HE1 TRP A 335 -2.607 4.335 3.433 1.00 0.24 H new ATOM 0 HE3 TRP A 335 -0.528 -0.506 2.350 1.00 0.21 H new ATOM 0 HZ2 TRP A 335 -1.453 4.159 0.861 1.00 0.27 H new ATOM 0 HZ3 TRP A 335 0.167 0.271 0.122 1.00 0.26 H new ATOM 0 HH2 TRP A 335 -0.298 2.569 -0.613 1.00 0.29 H new ATOM 670 N ARG A 336 -4.318 -0.361 2.965 1.00 0.18 N ATOM 671 CA ARG A 336 -4.724 -0.716 1.614 1.00 0.19 C ATOM 672 C ARG A 336 -4.271 0.351 0.624 1.00 0.21 C ATOM 673 O ARG A 336 -4.395 1.543 0.894 1.00 0.27 O ATOM 674 CB ARG A 336 -6.241 -0.879 1.542 1.00 0.28 C ATOM 675 CG ARG A 336 -6.738 -2.252 1.967 1.00 0.43 C ATOM 676 CD ARG A 336 -8.253 -2.355 1.855 1.00 0.63 C ATOM 677 NE ARG A 336 -8.690 -3.743 1.705 1.00 1.09 N ATOM 678 CZ ARG A 336 -9.963 -4.113 1.548 1.00 1.55 C ATOM 679 NH1 ARG A 336 -10.942 -3.222 1.653 1.00 1.85 N ATOM 680 NH2 ARG A 336 -10.263 -5.381 1.309 1.00 1.99 N ATOM 0 H ARG A 336 -4.622 0.567 3.260 1.00 0.18 H new ATOM 0 HA ARG A 336 -4.252 -1.663 1.351 1.00 0.19 H new ATOM 0 HB2 ARG A 336 -6.707 -0.124 2.174 1.00 0.28 H new ATOM 0 HB3 ARG A 336 -6.569 -0.686 0.520 1.00 0.28 H new ATOM 0 HG2 ARG A 336 -6.273 -3.017 1.345 1.00 0.43 H new ATOM 0 HG3 ARG A 336 -6.434 -2.448 2.995 1.00 0.43 H new ATOM 0 HD2 ARG A 336 -8.714 -1.922 2.743 1.00 0.63 H new ATOM 0 HD3 ARG A 336 -8.596 -1.771 1.001 1.00 0.63 H new ATOM 0 HE ARG A 336 -7.978 -4.473 1.721 1.00 1.09 H new ATOM 0 HH11 ARG A 336 -10.724 -2.246 1.855 1.00 1.85 H new ATOM 0 HH12 ARG A 336 -11.912 -3.513 1.532 1.00 1.85 H new ATOM 0 HH21 ARG A 336 -9.520 -6.077 1.245 1.00 1.99 H new ATOM 0 HH22 ARG A 336 -11.237 -5.661 1.189 1.00 1.99 H new ATOM 694 N CYS A 337 -3.742 -0.083 -0.518 1.00 0.24 N ATOM 695 CA CYS A 337 -3.272 0.844 -1.546 1.00 0.32 C ATOM 696 C CYS A 337 -4.445 1.568 -2.203 1.00 0.40 C ATOM 697 O CYS A 337 -5.605 1.208 -1.975 1.00 0.37 O ATOM 698 CB CYS A 337 -2.474 0.100 -2.616 1.00 0.37 C ATOM 699 SG CYS A 337 -3.485 -0.993 -3.661 1.00 0.63 S ATOM 0 H CYS A 337 -3.628 -1.069 -0.755 1.00 0.24 H new ATOM 0 HA CYS A 337 -2.628 1.578 -1.061 1.00 0.32 H new ATOM 0 HB2 CYS A 337 -1.969 0.828 -3.251 1.00 0.37 H new ATOM 0 HB3 CYS A 337 -1.698 -0.493 -2.131 1.00 0.37 H new ATOM 704 N SER A 338 -4.145 2.556 -3.044 1.00 0.53 N ATOM 705 CA SER A 338 -5.177 3.333 -3.723 1.00 0.63 C ATOM 706 C SER A 338 -6.131 2.416 -4.497 1.00 0.62 C ATOM 707 O SER A 338 -7.349 2.586 -4.449 1.00 0.63 O ATOM 708 CB SER A 338 -4.519 4.339 -4.670 1.00 0.81 C ATOM 709 OG SER A 338 -3.447 5.014 -4.028 1.00 1.47 O ATOM 0 H SER A 338 -3.191 2.837 -3.271 1.00 0.53 H new ATOM 0 HA SER A 338 -5.761 3.870 -2.976 1.00 0.63 H new ATOM 0 HB2 SER A 338 -4.150 3.823 -5.556 1.00 0.81 H new ATOM 0 HB3 SER A 338 -5.259 5.064 -5.009 1.00 0.81 H new ATOM 0 HG SER A 338 -3.592 5.982 -4.079 1.00 1.47 H new ATOM 715 N SER A 339 -5.562 1.423 -5.174 1.00 0.64 N ATOM 716 CA SER A 339 -6.335 0.485 -5.975 1.00 0.69 C ATOM 717 C SER A 339 -7.362 -0.260 -5.117 1.00 0.59 C ATOM 718 O SER A 339 -8.513 -0.432 -5.519 1.00 0.63 O ATOM 719 CB SER A 339 -5.385 -0.508 -6.647 1.00 0.79 C ATOM 720 OG SER A 339 -4.288 0.176 -7.233 1.00 1.67 O ATOM 0 H SER A 339 -4.557 1.248 -5.182 1.00 0.64 H new ATOM 0 HA SER A 339 -6.881 1.042 -6.736 1.00 0.69 H new ATOM 0 HB2 SER A 339 -5.023 -1.228 -5.913 1.00 0.79 H new ATOM 0 HB3 SER A 339 -5.920 -1.073 -7.411 1.00 0.79 H new ATOM 0 HG SER A 339 -3.688 -0.472 -7.658 1.00 1.67 H new ATOM 726 N CYS A 340 -6.938 -0.692 -3.937 1.00 0.51 N ATOM 727 CA CYS A 340 -7.825 -1.386 -3.009 1.00 0.48 C ATOM 728 C CYS A 340 -8.916 -0.451 -2.495 1.00 0.48 C ATOM 729 O CYS A 340 -10.083 -0.831 -2.415 1.00 0.57 O ATOM 730 CB CYS A 340 -7.033 -1.959 -1.834 1.00 0.45 C ATOM 731 SG CYS A 340 -5.783 -3.195 -2.309 1.00 0.55 S ATOM 0 H CYS A 340 -5.983 -0.574 -3.598 1.00 0.51 H new ATOM 0 HA CYS A 340 -8.298 -2.206 -3.549 1.00 0.48 H new ATOM 0 HB2 CYS A 340 -6.538 -1.141 -1.310 1.00 0.45 H new ATOM 0 HB3 CYS A 340 -7.729 -2.414 -1.129 1.00 0.45 H new ATOM 736 N LEU A 341 -8.534 0.778 -2.165 1.00 0.48 N ATOM 737 CA LEU A 341 -9.477 1.754 -1.625 1.00 0.59 C ATOM 738 C LEU A 341 -10.495 2.162 -2.679 1.00 0.69 C ATOM 739 O LEU A 341 -11.635 2.490 -2.361 1.00 0.85 O ATOM 740 CB LEU A 341 -8.737 2.994 -1.119 1.00 0.66 C ATOM 741 CG LEU A 341 -7.718 2.741 -0.006 1.00 0.62 C ATOM 742 CD1 LEU A 341 -7.004 4.029 0.367 1.00 0.78 C ATOM 743 CD2 LEU A 341 -8.399 2.138 1.212 1.00 0.65 C ATOM 0 H LEU A 341 -7.579 1.123 -2.261 1.00 0.48 H new ATOM 0 HA LEU A 341 -10.001 1.287 -0.791 1.00 0.59 H new ATOM 0 HB2 LEU A 341 -8.223 3.458 -1.961 1.00 0.66 H new ATOM 0 HB3 LEU A 341 -9.472 3.713 -0.759 1.00 0.66 H new ATOM 0 HG LEU A 341 -6.977 2.031 -0.374 1.00 0.62 H new ATOM 0 HD11 LEU A 341 -6.283 3.829 1.160 1.00 0.78 H new ATOM 0 HD12 LEU A 341 -6.483 4.422 -0.506 1.00 0.78 H new ATOM 0 HD13 LEU A 341 -7.733 4.761 0.715 1.00 0.78 H new ATOM 0 HD21 LEU A 341 -7.659 1.965 1.994 1.00 0.65 H new ATOM 0 HD22 LEU A 341 -9.162 2.825 1.580 1.00 0.65 H new ATOM 0 HD23 LEU A 341 -8.865 1.192 0.937 1.00 0.65 H new ATOM 755 N GLN A 342 -10.075 2.129 -3.936 1.00 0.68 N ATOM 756 CA GLN A 342 -10.940 2.492 -5.045 1.00 0.81 C ATOM 757 C GLN A 342 -12.009 1.422 -5.262 1.00 0.87 C ATOM 758 O GLN A 342 -13.016 1.660 -5.929 1.00 1.05 O ATOM 759 CB GLN A 342 -10.102 2.691 -6.310 1.00 0.92 C ATOM 760 CG GLN A 342 -10.878 3.284 -7.472 1.00 1.13 C ATOM 761 CD GLN A 342 -9.980 3.690 -8.623 1.00 1.37 C ATOM 762 OE1 GLN A 342 -9.504 4.822 -8.676 1.00 1.79 O ATOM 763 NE2 GLN A 342 -9.745 2.777 -9.555 1.00 1.93 N ATOM 0 H GLN A 342 -9.133 1.852 -4.212 1.00 0.68 H new ATOM 0 HA GLN A 342 -11.446 3.428 -4.811 1.00 0.81 H new ATOM 0 HB2 GLN A 342 -9.260 3.342 -6.078 1.00 0.92 H new ATOM 0 HB3 GLN A 342 -9.687 1.730 -6.615 1.00 0.92 H new ATOM 0 HG2 GLN A 342 -11.609 2.557 -7.825 1.00 1.13 H new ATOM 0 HG3 GLN A 342 -11.435 4.154 -7.126 1.00 1.13 H new ATOM 0 HE21 GLN A 342 -10.159 1.848 -9.475 1.00 1.93 H new ATOM 0 HE22 GLN A 342 -9.150 3.003 -10.352 1.00 1.93 H new ATOM 772 N ALA A 343 -11.801 0.248 -4.670 1.00 0.84 N ATOM 773 CA ALA A 343 -12.773 -0.837 -4.748 1.00 1.01 C ATOM 774 C ALA A 343 -13.767 -0.738 -3.595 1.00 1.11 C ATOM 775 O ALA A 343 -14.123 -1.739 -2.976 1.00 1.31 O ATOM 776 CB ALA A 343 -12.063 -2.184 -4.731 1.00 1.06 C ATOM 0 H ALA A 343 -10.965 0.025 -4.130 1.00 0.84 H new ATOM 0 HA ALA A 343 -13.323 -0.750 -5.685 1.00 1.01 H new ATOM 0 HB1 ALA A 343 -12.800 -2.985 -4.790 1.00 1.06 H new ATOM 0 HB2 ALA A 343 -11.387 -2.250 -5.584 1.00 1.06 H new ATOM 0 HB3 ALA A 343 -11.493 -2.283 -3.807 1.00 1.06 H new ATOM 782 N THR A 344 -14.142 0.496 -3.279 1.00 1.11 N ATOM 783 CA THR A 344 -15.155 0.799 -2.268 1.00 1.35 C ATOM 784 C THR A 344 -16.504 0.112 -2.544 1.00 1.98 C ATOM 785 O THR A 344 -17.460 0.753 -2.980 1.00 2.69 O ATOM 786 CB THR A 344 -15.390 2.316 -2.201 1.00 1.92 C ATOM 787 OG1 THR A 344 -14.226 3.011 -2.675 1.00 2.52 O ATOM 788 CG2 THR A 344 -15.710 2.758 -0.779 1.00 2.43 C ATOM 0 H THR A 344 -13.748 1.326 -3.722 1.00 1.11 H new ATOM 0 HA THR A 344 -14.770 0.417 -1.323 1.00 1.35 H new ATOM 0 HB THR A 344 -16.243 2.557 -2.835 1.00 1.92 H new ATOM 0 HG1 THR A 344 -13.423 2.610 -2.282 1.00 2.52 H new ATOM 0 HG21 THR A 344 -15.872 3.836 -0.761 1.00 2.43 H new ATOM 0 HG22 THR A 344 -16.611 2.250 -0.434 1.00 2.43 H new ATOM 0 HG23 THR A 344 -14.877 2.505 -0.123 1.00 2.43 H new ATOM 796 N VAL A 345 -16.577 -1.188 -2.287 1.00 2.46 N ATOM 797 CA VAL A 345 -17.839 -1.921 -2.356 1.00 3.48 C ATOM 798 C VAL A 345 -18.475 -1.951 -0.966 1.00 3.77 C ATOM 799 O VAL A 345 -19.591 -2.437 -0.769 1.00 4.41 O ATOM 800 CB VAL A 345 -17.624 -3.366 -2.871 1.00 4.43 C ATOM 801 CG1 VAL A 345 -18.952 -4.056 -3.155 1.00 5.52 C ATOM 802 CG2 VAL A 345 -16.749 -3.372 -4.116 1.00 4.61 C ATOM 0 H VAL A 345 -15.774 -1.761 -2.027 1.00 2.46 H new ATOM 0 HA VAL A 345 -18.500 -1.413 -3.059 1.00 3.48 H new ATOM 0 HB VAL A 345 -17.114 -3.923 -2.085 1.00 4.43 H new ATOM 0 HG11 VAL A 345 -18.767 -5.068 -3.515 1.00 5.52 H new ATOM 0 HG12 VAL A 345 -19.543 -4.099 -2.240 1.00 5.52 H new ATOM 0 HG13 VAL A 345 -19.498 -3.496 -3.914 1.00 5.52 H new ATOM 0 HG21 VAL A 345 -16.612 -4.397 -4.459 1.00 4.61 H new ATOM 0 HG22 VAL A 345 -17.229 -2.788 -4.901 1.00 4.61 H new ATOM 0 HG23 VAL A 345 -15.778 -2.935 -3.881 1.00 4.61 H new ATOM 812 N GLN A 346 -17.742 -1.408 -0.004 1.00 3.72 N ATOM 813 CA GLN A 346 -18.197 -1.330 1.376 1.00 4.43 C ATOM 814 C GLN A 346 -19.336 -0.327 1.509 1.00 4.64 C ATOM 815 O GLN A 346 -19.103 0.874 1.648 1.00 4.85 O ATOM 816 CB GLN A 346 -17.039 -0.923 2.288 1.00 4.92 C ATOM 817 CG GLN A 346 -15.872 -1.894 2.267 1.00 5.36 C ATOM 818 CD GLN A 346 -14.667 -1.375 3.025 1.00 6.22 C ATOM 819 OE1 GLN A 346 -14.434 -0.168 3.097 1.00 6.73 O ATOM 820 NE2 GLN A 346 -13.891 -2.279 3.600 1.00 6.73 N ATOM 0 H GLN A 346 -16.816 -1.010 -0.159 1.00 3.72 H new ATOM 0 HA GLN A 346 -18.561 -2.313 1.675 1.00 4.43 H new ATOM 0 HB2 GLN A 346 -16.684 0.064 1.990 1.00 4.92 H new ATOM 0 HB3 GLN A 346 -17.407 -0.834 3.310 1.00 4.92 H new ATOM 0 HG2 GLN A 346 -16.187 -2.844 2.699 1.00 5.36 H new ATOM 0 HG3 GLN A 346 -15.588 -2.093 1.233 1.00 5.36 H new ATOM 0 HE21 GLN A 346 -14.116 -3.270 3.518 1.00 6.73 H new ATOM 0 HE22 GLN A 346 -13.067 -1.985 4.125 1.00 6.73 H new ATOM 829 N GLU A 347 -20.562 -0.821 1.413 1.00 5.05 N ATOM 830 CA GLU A 347 -21.743 0.004 1.619 1.00 5.69 C ATOM 831 C GLU A 347 -21.711 0.645 3.002 1.00 6.30 C ATOM 832 O GLU A 347 -21.252 0.031 3.966 1.00 6.66 O ATOM 833 CB GLU A 347 -23.010 -0.834 1.449 1.00 6.27 C ATOM 834 CG GLU A 347 -24.279 -0.004 1.403 1.00 6.68 C ATOM 835 CD GLU A 347 -24.253 1.013 0.283 1.00 7.28 C ATOM 836 OE1 GLU A 347 -23.724 2.123 0.500 1.00 7.68 O ATOM 837 OE2 GLU A 347 -24.772 0.710 -0.813 1.00 7.60 O ATOM 0 H GLU A 347 -20.765 -1.796 1.192 1.00 5.05 H new ATOM 0 HA GLU A 347 -21.747 0.797 0.872 1.00 5.69 H new ATOM 0 HB2 GLU A 347 -22.932 -1.416 0.531 1.00 6.27 H new ATOM 0 HB3 GLU A 347 -23.079 -1.545 2.272 1.00 6.27 H new ATOM 0 HG2 GLU A 347 -25.138 -0.663 1.274 1.00 6.68 H new ATOM 0 HG3 GLU A 347 -24.411 0.509 2.355 1.00 6.68 H new ATOM 844 N VAL A 348 -22.212 1.876 3.084 1.00 6.79 N ATOM 845 CA VAL A 348 -22.174 2.661 4.305 1.00 7.69 C ATOM 846 C VAL A 348 -20.729 2.911 4.738 1.00 8.41 C ATOM 847 O VAL A 348 -20.148 2.149 5.518 1.00 9.19 O ATOM 848 CB VAL A 348 -22.975 1.983 5.429 1.00 8.24 C ATOM 849 CG1 VAL A 348 -22.862 2.753 6.742 1.00 8.98 C ATOM 850 CG2 VAL A 348 -24.435 1.831 5.029 1.00 8.51 C ATOM 0 H VAL A 348 -22.656 2.354 2.300 1.00 6.79 H new ATOM 0 HA VAL A 348 -22.642 3.624 4.101 1.00 7.69 H new ATOM 0 HB VAL A 348 -22.548 0.993 5.586 1.00 8.24 H new ATOM 0 HG11 VAL A 348 -23.441 2.244 7.513 1.00 8.98 H new ATOM 0 HG12 VAL A 348 -21.816 2.802 7.046 1.00 8.98 H new ATOM 0 HG13 VAL A 348 -23.248 3.763 6.606 1.00 8.98 H new ATOM 0 HG21 VAL A 348 -24.985 1.349 5.837 1.00 8.51 H new ATOM 0 HG22 VAL A 348 -24.863 2.814 4.834 1.00 8.51 H new ATOM 0 HG23 VAL A 348 -24.504 1.220 4.129 1.00 8.51 H new ATOM 860 N GLN A 349 -20.151 3.971 4.187 1.00 8.35 N ATOM 861 CA GLN A 349 -18.792 4.386 4.514 1.00 9.25 C ATOM 862 C GLN A 349 -18.679 4.673 6.006 1.00 9.81 C ATOM 863 O GLN A 349 -19.622 5.177 6.618 1.00 9.85 O ATOM 864 CB GLN A 349 -18.419 5.634 3.708 1.00 9.50 C ATOM 865 CG GLN A 349 -18.504 5.422 2.206 1.00 9.64 C ATOM 866 CD GLN A 349 -18.205 6.677 1.405 1.00 10.09 C ATOM 867 OE1 GLN A 349 -18.751 6.873 0.320 1.00 10.30 O ATOM 868 NE2 GLN A 349 -17.335 7.530 1.924 1.00 10.48 N ATOM 0 H GLN A 349 -20.611 4.568 3.500 1.00 8.35 H new ATOM 0 HA GLN A 349 -18.104 3.581 4.258 1.00 9.25 H new ATOM 0 HB2 GLN A 349 -19.080 6.453 3.991 1.00 9.50 H new ATOM 0 HB3 GLN A 349 -17.405 5.938 3.969 1.00 9.50 H new ATOM 0 HG2 GLN A 349 -17.803 4.639 1.916 1.00 9.64 H new ATOM 0 HG3 GLN A 349 -19.503 5.066 1.952 1.00 9.64 H new ATOM 0 HE21 GLN A 349 -16.903 7.332 2.827 1.00 10.48 H new ATOM 0 HE22 GLN A 349 -17.097 8.385 1.421 1.00 10.48 H new ATOM 877 N PRO A 350 -17.519 4.355 6.606 1.00 10.46 N ATOM 878 CA PRO A 350 -17.308 4.481 8.048 1.00 11.22 C ATOM 879 C PRO A 350 -17.562 5.897 8.542 1.00 12.02 C ATOM 880 O PRO A 350 -16.849 6.839 8.181 1.00 12.51 O ATOM 881 CB PRO A 350 -15.840 4.091 8.249 1.00 11.80 C ATOM 882 CG PRO A 350 -15.221 4.163 6.898 1.00 11.63 C ATOM 883 CD PRO A 350 -16.317 3.870 5.917 1.00 10.74 C ATOM 0 HA PRO A 350 -17.997 3.852 8.612 1.00 11.22 H new ATOM 0 HB2 PRO A 350 -15.345 4.770 8.944 1.00 11.80 H new ATOM 0 HB3 PRO A 350 -15.754 3.088 8.667 1.00 11.80 H new ATOM 0 HG2 PRO A 350 -14.792 5.149 6.719 1.00 11.63 H new ATOM 0 HG3 PRO A 350 -14.410 3.441 6.803 1.00 11.63 H new ATOM 0 HD2 PRO A 350 -16.159 4.386 4.970 1.00 10.74 H new ATOM 0 HD3 PRO A 350 -16.383 2.805 5.692 1.00 10.74 H new ATOM 891 N ARG A 351 -18.591 6.042 9.361 1.00 12.32 N ATOM 892 CA ARG A 351 -18.978 7.340 9.864 1.00 13.21 C ATOM 893 C ARG A 351 -18.280 7.619 11.185 1.00 14.01 C ATOM 894 O ARG A 351 -18.796 7.300 12.257 1.00 14.62 O ATOM 895 CB ARG A 351 -20.492 7.421 10.049 1.00 13.33 C ATOM 896 CG ARG A 351 -20.979 8.840 10.278 1.00 13.46 C ATOM 897 CD ARG A 351 -21.025 9.630 8.980 1.00 13.60 C ATOM 898 NE ARG A 351 -22.111 9.189 8.105 1.00 14.02 N ATOM 899 CZ ARG A 351 -21.984 9.006 6.790 1.00 14.33 C ATOM 900 NH1 ARG A 351 -20.799 9.144 6.206 1.00 14.26 N ATOM 901 NH2 ARG A 351 -23.038 8.654 6.063 1.00 14.87 N ATOM 0 H ARG A 351 -19.172 5.271 9.690 1.00 12.32 H new ATOM 0 HA ARG A 351 -18.678 8.092 9.134 1.00 13.21 H new ATOM 0 HB2 ARG A 351 -20.984 7.010 9.167 1.00 13.33 H new ATOM 0 HB3 ARG A 351 -20.784 6.800 10.896 1.00 13.33 H new ATOM 0 HG2 ARG A 351 -21.972 8.817 10.726 1.00 13.46 H new ATOM 0 HG3 ARG A 351 -20.321 9.342 10.987 1.00 13.46 H new ATOM 0 HD2 ARG A 351 -21.149 10.689 9.205 1.00 13.60 H new ATOM 0 HD3 ARG A 351 -20.074 9.524 8.458 1.00 13.60 H new ATOM 0 HE ARG A 351 -23.022 9.010 8.527 1.00 14.02 H new ATOM 0 HH11 ARG A 351 -19.981 9.391 6.764 1.00 14.26 H new ATOM 0 HH12 ARG A 351 -20.707 9.003 5.200 1.00 14.26 H new ATOM 0 HH21 ARG A 351 -23.945 8.523 6.510 1.00 14.87 H new ATOM 0 HH22 ARG A 351 -22.940 8.514 5.057 1.00 14.87 H new ATOM 915 N ALA A 352 -17.103 8.216 11.109 1.00 14.16 N ATOM 916 CA ALA A 352 -16.362 8.562 12.305 1.00 15.05 C ATOM 917 C ALA A 352 -16.808 9.928 12.799 1.00 15.58 C ATOM 918 O ALA A 352 -16.146 10.939 12.566 1.00 15.81 O ATOM 919 CB ALA A 352 -14.865 8.537 12.038 1.00 15.21 C ATOM 0 H ALA A 352 -16.643 8.470 10.235 1.00 14.16 H new ATOM 0 HA ALA A 352 -16.568 7.824 13.080 1.00 15.05 H new ATOM 0 HB1 ALA A 352 -14.328 8.800 12.950 1.00 15.21 H new ATOM 0 HB2 ALA A 352 -14.569 7.538 11.718 1.00 15.21 H new ATOM 0 HB3 ALA A 352 -14.623 9.255 11.255 1.00 15.21 H new ATOM 925 N GLU A 353 -17.954 9.950 13.455 1.00 15.90 N ATOM 926 CA GLU A 353 -18.521 11.186 13.964 1.00 16.56 C ATOM 927 C GLU A 353 -17.934 11.483 15.337 1.00 17.16 C ATOM 928 O GLU A 353 -17.569 12.619 15.648 1.00 17.69 O ATOM 929 CB GLU A 353 -20.043 11.062 14.040 1.00 16.64 C ATOM 930 CG GLU A 353 -20.753 12.360 14.370 1.00 17.13 C ATOM 931 CD GLU A 353 -22.250 12.182 14.435 1.00 17.09 C ATOM 932 OE1 GLU A 353 -22.884 12.095 13.366 1.00 17.07 O ATOM 933 OE2 GLU A 353 -22.802 12.154 15.556 1.00 17.21 O ATOM 0 H GLU A 353 -18.514 9.120 13.649 1.00 15.90 H new ATOM 0 HA GLU A 353 -18.276 12.009 13.293 1.00 16.56 H new ATOM 0 HB2 GLU A 353 -20.415 10.689 13.086 1.00 16.64 H new ATOM 0 HB3 GLU A 353 -20.299 10.318 14.794 1.00 16.64 H new ATOM 0 HG2 GLU A 353 -20.391 12.739 15.326 1.00 17.13 H new ATOM 0 HG3 GLU A 353 -20.509 13.109 13.617 1.00 17.13 H new ATOM 940 N GLU A 354 -17.840 10.436 16.144 1.00 17.19 N ATOM 941 CA GLU A 354 -17.220 10.506 17.454 1.00 17.88 C ATOM 942 C GLU A 354 -16.992 9.089 17.966 1.00 18.30 C ATOM 943 O GLU A 354 -17.879 8.553 18.658 1.00 18.38 O ATOM 944 CB GLU A 354 -18.093 11.298 18.434 1.00 17.97 C ATOM 945 CG GLU A 354 -17.435 11.535 19.787 1.00 18.18 C ATOM 946 CD GLU A 354 -16.198 12.409 19.701 1.00 18.58 C ATOM 947 OE1 GLU A 354 -15.119 11.894 19.345 1.00 18.81 O ATOM 948 OE2 GLU A 354 -16.298 13.618 20.002 1.00 18.79 O ATOM 949 OXT GLU A 354 -15.942 8.501 17.635 1.00 18.67 O ATOM 0 H GLU A 354 -18.195 9.510 15.905 1.00 17.19 H new ATOM 0 HA GLU A 354 -16.265 11.026 17.372 1.00 17.88 H new ATOM 0 HB2 GLU A 354 -18.343 12.261 17.988 1.00 17.97 H new ATOM 0 HB3 GLU A 354 -19.031 10.764 18.585 1.00 17.97 H new ATOM 0 HG2 GLU A 354 -18.156 12.001 20.459 1.00 18.18 H new ATOM 0 HG3 GLU A 354 -17.165 10.575 20.226 1.00 18.18 H new TER 956 GLU A 354 ATOM 957 N ALA B 1 0.522 -1.085 9.091 1.00 0.29 N ATOM 958 CA ALA B 1 0.964 -1.075 7.679 1.00 0.21 C ATOM 959 C ALA B 1 2.192 -1.966 7.518 1.00 0.20 C ATOM 960 O ALA B 1 3.023 -2.049 8.423 1.00 0.28 O ATOM 961 CB ALA B 1 1.255 0.353 7.232 1.00 0.21 C ATOM 0 H1 ALA B 1 -0.439 -1.478 9.151 1.00 0.29 H new ATOM 0 H2 ALA B 1 1.171 -1.671 9.654 1.00 0.29 H new ATOM 0 H3 ALA B 1 0.522 -0.113 9.462 1.00 0.29 H new ATOM 0 HA ALA B 1 0.169 -1.469 7.046 1.00 0.21 H new ATOM 0 HB1 ALA B 1 1.580 0.350 6.191 1.00 0.21 H new ATOM 0 HB2 ALA B 1 0.352 0.956 7.328 1.00 0.21 H new ATOM 0 HB3 ALA B 1 2.042 0.776 7.856 1.00 0.21 H new ATOM 969 N ARG B 2 2.295 -2.646 6.378 1.00 0.18 N ATOM 970 CA ARG B 2 3.388 -3.587 6.144 1.00 0.19 C ATOM 971 C ARG B 2 4.667 -2.832 5.788 1.00 0.23 C ATOM 972 O ARG B 2 5.065 -2.771 4.627 1.00 0.61 O ATOM 973 CB ARG B 2 3.011 -4.563 5.021 1.00 0.21 C ATOM 974 CG ARG B 2 3.943 -5.759 4.898 1.00 0.24 C ATOM 975 CD ARG B 2 3.610 -6.626 3.690 1.00 0.33 C ATOM 976 NE ARG B 2 2.173 -6.871 3.531 1.00 0.32 N ATOM 977 CZ ARG B 2 1.455 -7.700 4.295 1.00 0.44 C ATOM 978 NH1 ARG B 2 2.030 -8.364 5.292 1.00 0.54 N ATOM 979 NH2 ARG B 2 0.163 -7.875 4.048 1.00 0.69 N ATOM 0 H ARG B 2 1.636 -2.563 5.603 1.00 0.18 H new ATOM 0 HA ARG B 2 3.565 -4.157 7.056 1.00 0.19 H new ATOM 0 HB2 ARG B 2 1.996 -4.923 5.192 1.00 0.21 H new ATOM 0 HB3 ARG B 2 3.002 -4.024 4.074 1.00 0.21 H new ATOM 0 HG2 ARG B 2 4.972 -5.409 4.819 1.00 0.24 H new ATOM 0 HG3 ARG B 2 3.880 -6.362 5.804 1.00 0.24 H new ATOM 0 HD2 ARG B 2 3.991 -6.144 2.790 1.00 0.33 H new ATOM 0 HD3 ARG B 2 4.126 -7.581 3.784 1.00 0.33 H new ATOM 0 HE ARG B 2 1.687 -6.374 2.785 1.00 0.32 H new ATOM 0 HH11 ARG B 2 3.025 -8.243 5.478 1.00 0.54 H new ATOM 0 HH12 ARG B 2 1.476 -8.995 5.871 1.00 0.54 H new ATOM 0 HH21 ARG B 2 -0.281 -7.377 3.276 1.00 0.69 H new ATOM 0 HH22 ARG B 2 -0.386 -8.507 4.630 1.00 0.69 H new ATOM 993 N THR B 3 5.298 -2.249 6.789 1.00 0.29 N ATOM 994 CA THR B 3 6.477 -1.433 6.577 1.00 0.30 C ATOM 995 C THR B 3 7.718 -2.287 6.336 1.00 0.31 C ATOM 996 O THR B 3 7.847 -3.391 6.870 1.00 0.38 O ATOM 997 CB THR B 3 6.707 -0.497 7.774 1.00 0.33 C ATOM 998 OG1 THR B 3 6.543 -1.224 9.000 1.00 0.95 O ATOM 999 CG2 THR B 3 5.735 0.670 7.740 1.00 0.70 C ATOM 0 H THR B 3 5.010 -2.327 7.765 1.00 0.29 H new ATOM 0 HA THR B 3 6.303 -0.834 5.683 1.00 0.30 H new ATOM 0 HB THR B 3 7.723 -0.106 7.714 1.00 0.33 H new ATOM 0 HG1 THR B 3 6.692 -0.623 9.759 1.00 0.95 H new ATOM 0 HG21 THR B 3 5.916 1.319 8.597 1.00 0.70 H new ATOM 0 HG22 THR B 3 5.878 1.236 6.819 1.00 0.70 H new ATOM 0 HG23 THR B 3 4.713 0.293 7.780 1.00 0.70 H new ATOM 1007 N LYS B 4 8.615 -1.774 5.508 1.00 0.28 N ATOM 1008 CA LYS B 4 9.855 -2.463 5.191 1.00 0.30 C ATOM 1009 C LYS B 4 11.032 -1.510 5.330 1.00 0.34 C ATOM 1010 O LYS B 4 10.985 -0.389 4.825 1.00 0.37 O ATOM 1011 CB LYS B 4 9.820 -3.010 3.760 1.00 0.30 C ATOM 1012 CG LYS B 4 8.728 -4.039 3.508 1.00 0.34 C ATOM 1013 CD LYS B 4 8.562 -4.338 2.022 1.00 0.40 C ATOM 1014 CE LYS B 4 9.862 -4.796 1.376 1.00 0.54 C ATOM 1015 NZ LYS B 4 10.400 -6.044 1.983 1.00 0.75 N ATOM 0 H LYS B 4 8.505 -0.874 5.040 1.00 0.28 H new ATOM 0 HA LYS B 4 9.969 -3.293 5.888 1.00 0.30 H new ATOM 0 HB2 LYS B 4 9.685 -2.178 3.069 1.00 0.30 H new ATOM 0 HB3 LYS B 4 10.786 -3.460 3.532 1.00 0.30 H new ATOM 0 HG2 LYS B 4 8.967 -4.960 4.039 1.00 0.34 H new ATOM 0 HG3 LYS B 4 7.784 -3.674 3.913 1.00 0.34 H new ATOM 0 HD2 LYS B 4 7.803 -5.109 1.891 1.00 0.40 H new ATOM 0 HD3 LYS B 4 8.200 -3.445 1.512 1.00 0.40 H new ATOM 0 HE2 LYS B 4 9.696 -4.958 0.311 1.00 0.54 H new ATOM 0 HE3 LYS B 4 10.606 -4.004 1.466 1.00 0.54 H new ATOM 0 HZ1 LYS B 4 11.247 -6.346 1.461 1.00 0.75 H new ATOM 0 HZ2 LYS B 4 10.650 -5.867 2.977 1.00 0.75 H new ATOM 0 HZ3 LYS B 4 9.679 -6.792 1.936 1.00 0.75 H new ATOM 1029 N GLN B 5 12.072 -1.951 6.019 1.00 0.46 N ATOM 1030 CA GLN B 5 13.307 -1.181 6.120 1.00 0.52 C ATOM 1031 C GLN B 5 14.360 -1.781 5.200 1.00 0.57 C ATOM 1032 O GLN B 5 15.314 -2.412 5.649 1.00 1.35 O ATOM 1033 CB GLN B 5 13.827 -1.154 7.561 1.00 0.73 C ATOM 1034 CG GLN B 5 12.956 -0.358 8.520 1.00 1.45 C ATOM 1035 CD GLN B 5 12.830 1.104 8.125 1.00 2.10 C ATOM 1036 OE1 GLN B 5 11.916 1.485 7.393 1.00 2.62 O ATOM 1037 NE2 GLN B 5 13.750 1.931 8.599 1.00 2.88 N ATOM 0 H GLN B 5 12.088 -2.840 6.519 1.00 0.46 H new ATOM 0 HA GLN B 5 13.097 -0.155 5.818 1.00 0.52 H new ATOM 0 HB2 GLN B 5 13.909 -2.178 7.926 1.00 0.73 H new ATOM 0 HB3 GLN B 5 14.832 -0.733 7.565 1.00 0.73 H new ATOM 0 HG2 GLN B 5 11.963 -0.806 8.559 1.00 1.45 H new ATOM 0 HG3 GLN B 5 13.375 -0.424 9.524 1.00 1.45 H new ATOM 0 HE21 GLN B 5 14.492 1.577 9.203 1.00 2.88 H new ATOM 0 HE22 GLN B 5 13.717 2.922 8.360 1.00 2.88 H new ATOM 1046 N THR B 6 14.172 -1.589 3.906 1.00 0.67 N ATOM 1047 CA THR B 6 15.050 -2.186 2.910 1.00 0.58 C ATOM 1048 C THR B 6 16.139 -1.213 2.479 1.00 0.67 C ATOM 1049 O THR B 6 16.151 -0.052 2.896 1.00 0.88 O ATOM 1050 CB THR B 6 14.255 -2.640 1.668 1.00 0.57 C ATOM 1051 OG1 THR B 6 13.436 -1.565 1.178 1.00 1.03 O ATOM 1052 CG2 THR B 6 13.382 -3.840 1.991 1.00 0.70 C ATOM 0 H THR B 6 13.417 -1.023 3.518 1.00 0.67 H new ATOM 0 HA THR B 6 15.514 -3.056 3.375 1.00 0.58 H new ATOM 0 HB THR B 6 14.971 -2.927 0.898 1.00 0.57 H new ATOM 0 HG1 THR B 6 13.383 -0.859 1.855 1.00 1.03 H new ATOM 0 HG21 THR B 6 12.832 -4.140 1.099 1.00 0.70 H new ATOM 0 HG22 THR B 6 14.009 -4.666 2.326 1.00 0.70 H new ATOM 0 HG23 THR B 6 12.678 -3.576 2.780 1.00 0.70 H new ATOM 1060 N ALA B 7 17.058 -1.697 1.660 1.00 0.68 N ATOM 1061 CA ALA B 7 18.078 -0.850 1.072 1.00 0.75 C ATOM 1062 C ALA B 7 17.488 -0.087 -0.104 1.00 0.70 C ATOM 1063 O ALA B 7 16.748 -0.656 -0.911 1.00 0.67 O ATOM 1064 CB ALA B 7 19.261 -1.692 0.623 1.00 0.90 C ATOM 0 H ALA B 7 17.117 -2.678 1.387 1.00 0.68 H new ATOM 0 HA ALA B 7 18.429 -0.136 1.817 1.00 0.75 H new ATOM 0 HB1 ALA B 7 20.021 -1.046 0.183 1.00 0.90 H new ATOM 0 HB2 ALA B 7 19.682 -2.215 1.482 1.00 0.90 H new ATOM 0 HB3 ALA B 7 18.930 -2.419 -0.118 1.00 0.90 H new ATOM 1070 N ARG B 8 17.798 1.199 -0.194 1.00 0.74 N ATOM 1071 CA ARG B 8 17.271 2.033 -1.260 1.00 0.74 C ATOM 1072 C ARG B 8 17.865 1.619 -2.600 1.00 0.82 C ATOM 1073 O ARG B 8 19.008 1.171 -2.672 1.00 1.15 O ATOM 1074 CB ARG B 8 17.550 3.511 -0.986 1.00 0.81 C ATOM 1075 CG ARG B 8 16.820 4.051 0.234 1.00 0.86 C ATOM 1076 CD ARG B 8 16.860 5.569 0.272 1.00 1.10 C ATOM 1077 NE ARG B 8 16.183 6.115 1.454 1.00 1.72 N ATOM 1078 CZ ARG B 8 15.715 7.363 1.539 1.00 2.18 C ATOM 1079 NH1 ARG B 8 15.803 8.184 0.504 1.00 2.19 N ATOM 1080 NH2 ARG B 8 15.136 7.789 2.658 1.00 3.09 N ATOM 0 H ARG B 8 18.412 1.685 0.459 1.00 0.74 H new ATOM 0 HA ARG B 8 16.191 1.894 -1.299 1.00 0.74 H new ATOM 0 HB2 ARG B 8 18.622 3.651 -0.849 1.00 0.81 H new ATOM 0 HB3 ARG B 8 17.262 4.095 -1.860 1.00 0.81 H new ATOM 0 HG2 ARG B 8 15.784 3.712 0.220 1.00 0.86 H new ATOM 0 HG3 ARG B 8 17.275 3.650 1.140 1.00 0.86 H new ATOM 0 HD2 ARG B 8 17.897 5.903 0.264 1.00 1.10 H new ATOM 0 HD3 ARG B 8 16.390 5.965 -0.628 1.00 1.10 H new ATOM 0 HE ARG B 8 16.062 5.503 2.261 1.00 1.72 H new ATOM 0 HH11 ARG B 8 16.230 7.865 -0.365 1.00 2.19 H new ATOM 0 HH12 ARG B 8 15.443 9.136 0.576 1.00 2.19 H new ATOM 0 HH21 ARG B 8 15.047 7.161 3.457 1.00 3.09 H new ATOM 0 HH22 ARG B 8 14.781 8.743 2.717 1.00 3.09 H new ATOM 1094 N LYS B 9 17.091 1.786 -3.658 1.00 0.77 N ATOM 1095 CA LYS B 9 17.485 1.329 -4.980 1.00 0.91 C ATOM 1096 C LYS B 9 17.999 2.502 -5.802 1.00 1.52 C ATOM 1097 O LYS B 9 17.432 2.846 -6.842 1.00 1.96 O ATOM 1098 CB LYS B 9 16.300 0.660 -5.690 1.00 1.00 C ATOM 1099 CG LYS B 9 15.646 -0.445 -4.875 1.00 1.52 C ATOM 1100 CD LYS B 9 16.642 -1.522 -4.482 1.00 2.37 C ATOM 1101 CE LYS B 9 16.028 -2.513 -3.511 1.00 3.15 C ATOM 1102 NZ LYS B 9 16.995 -3.559 -3.099 1.00 3.53 N ATOM 0 H LYS B 9 16.178 2.239 -3.626 1.00 0.77 H new ATOM 0 HA LYS B 9 18.283 0.594 -4.875 1.00 0.91 H new ATOM 0 HB2 LYS B 9 15.553 1.418 -5.924 1.00 1.00 H new ATOM 0 HB3 LYS B 9 16.642 0.246 -6.639 1.00 1.00 H new ATOM 0 HG2 LYS B 9 15.199 -0.018 -3.977 1.00 1.52 H new ATOM 0 HG3 LYS B 9 14.837 -0.892 -5.452 1.00 1.52 H new ATOM 0 HD2 LYS B 9 16.983 -2.047 -5.374 1.00 2.37 H new ATOM 0 HD3 LYS B 9 17.519 -1.061 -4.028 1.00 2.37 H new ATOM 0 HE2 LYS B 9 15.671 -1.982 -2.629 1.00 3.15 H new ATOM 0 HE3 LYS B 9 15.160 -2.983 -3.973 1.00 3.15 H new ATOM 0 HZ1 LYS B 9 16.535 -4.215 -2.436 1.00 3.53 H new ATOM 0 HZ2 LYS B 9 17.317 -4.083 -3.937 1.00 3.53 H new ATOM 0 HZ3 LYS B 9 17.812 -3.113 -2.634 1.00 3.53 H new ATOM 1116 N SER B 10 19.060 3.122 -5.315 1.00 2.30 N ATOM 1117 CA SER B 10 19.666 4.250 -5.999 1.00 3.23 C ATOM 1118 C SER B 10 20.377 3.780 -7.262 1.00 3.61 C ATOM 1119 O SER B 10 21.365 3.019 -7.142 1.00 4.10 O ATOM 1120 CB SER B 10 20.647 4.963 -5.069 1.00 4.17 C ATOM 1121 OG SER B 10 20.016 5.317 -3.847 1.00 4.45 O ATOM 1122 OXT SER B 10 19.939 4.152 -8.367 1.00 3.81 O ATOM 0 H SER B 10 19.521 2.861 -4.444 1.00 2.30 H new ATOM 0 HA SER B 10 18.882 4.952 -6.283 1.00 3.23 H new ATOM 0 HB2 SER B 10 21.501 4.316 -4.869 1.00 4.17 H new ATOM 0 HB3 SER B 10 21.033 5.858 -5.557 1.00 4.17 H new ATOM 0 HG SER B 10 20.661 5.771 -3.265 1.00 4.45 H new TER 1128 SER B 10 HETATM 1129 ZN ZN A 355 7.987 5.967 -4.366 1.00 0.18 ZN HETATM 1130 ZN ZN A 356 -3.586 -2.382 -1.810 1.00 0.71 ZN