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= 0.037 K(o=1.9,f=-9.7!) USER MOD Set 1.2: B 4 LYS NZ :NH3+ 173:sc= 1.86 (180deg=1.08) USER MOD Single : A 291 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 293 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 294 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 310 CYS SG : rot -53:sc= -0.59 USER MOD Single : A 319 HIS : no HD1:sc= 0.138 K(o=0.14,f=-5.8!) 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 48:sc= 0.0962 USER MOD Single : A 338 SER OG : rot 180:sc= 0.00368 USER MOD Single : A 339 SER OG : rot 180:sc= 0 USER MOD Single : A 342 GLN : amide:sc= -0.633 K(o=-0.63,f=0) USER MOD Single : A 344 THR OG1 : rot -106:sc= 1.28 USER MOD Single : A 346 GLN : amide:sc= -0.0646 K(o=-0.065,f=-0.73) USER MOD Single : A 349 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 1 ALA N :NH3+ -120:sc= 1.76 (180deg=-0.003) USER MOD Single : B 3 THR OG1 : rot 120:sc= -0.193 USER MOD Single : B 5 GLN : amide:sc=-0.000615 K(o=-0.00061,f=-0.76) USER MOD Single : B 6 THR OG1 : rot 27:sc= 0.441 USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 SER OG : rot -37:sc= 0.905 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 289 -7.474 -17.683 1.835 1.00 7.93 N ATOM 2 CA GLY A 289 -6.553 -18.626 2.507 1.00 7.32 C ATOM 3 C GLY A 289 -5.523 -17.909 3.352 1.00 6.42 C ATOM 4 O GLY A 289 -5.534 -16.679 3.441 1.00 6.32 O ATOM 0 HA2 GLY A 289 -7.127 -19.307 3.136 1.00 7.32 H new ATOM 0 HA3 GLY A 289 -6.047 -19.234 1.757 1.00 7.32 H new ATOM 10 N ALA A 290 -4.632 -18.669 3.971 1.00 6.11 N ATOM 11 CA ALA A 290 -3.572 -18.097 4.782 1.00 5.56 C ATOM 12 C ALA A 290 -2.218 -18.419 4.166 1.00 4.65 C ATOM 13 O ALA A 290 -2.157 -18.920 3.043 1.00 4.88 O ATOM 14 CB ALA A 290 -3.656 -18.612 6.210 1.00 6.29 C ATOM 0 H ALA A 290 -4.624 -19.688 3.926 1.00 6.11 H new ATOM 0 HA ALA A 290 -3.692 -17.014 4.810 1.00 5.56 H new ATOM 0 HB1 ALA A 290 -2.854 -18.173 6.803 1.00 6.29 H new ATOM 0 HB2 ALA A 290 -4.619 -18.336 6.640 1.00 6.29 H new ATOM 0 HB3 ALA A 290 -3.556 -19.697 6.212 1.00 6.29 H new ATOM 20 N MET A 291 -1.145 -18.138 4.902 1.00 4.01 N ATOM 21 CA MET A 291 0.220 -18.332 4.407 1.00 3.50 C ATOM 22 C MET A 291 0.484 -17.419 3.217 1.00 2.71 C ATOM 23 O MET A 291 1.314 -17.709 2.353 1.00 3.00 O ATOM 24 CB MET A 291 0.478 -19.802 4.042 1.00 4.13 C ATOM 25 CG MET A 291 0.414 -20.738 5.236 1.00 4.78 C ATOM 26 SD MET A 291 1.654 -20.337 6.481 1.00 5.58 S ATOM 27 CE MET A 291 1.120 -21.381 7.832 1.00 6.45 C ATOM 0 H MET A 291 -1.194 -17.772 5.853 1.00 4.01 H new ATOM 0 HA MET A 291 0.913 -18.068 5.206 1.00 3.50 H new ATOM 0 HB2 MET A 291 -0.256 -20.119 3.301 1.00 4.13 H new ATOM 0 HB3 MET A 291 1.459 -19.886 3.575 1.00 4.13 H new ATOM 0 HG2 MET A 291 -0.578 -20.686 5.684 1.00 4.78 H new ATOM 0 HG3 MET A 291 0.558 -21.765 4.899 1.00 4.78 H new ATOM 0 HE1 MET A 291 1.789 -21.247 8.682 1.00 6.45 H new ATOM 0 HE2 MET A 291 0.105 -21.109 8.123 1.00 6.45 H new ATOM 0 HE3 MET A 291 1.140 -22.424 7.516 1.00 6.45 H new ATOM 37 N ALA A 292 -0.227 -16.303 3.197 1.00 2.40 N ATOM 38 CA ALA A 292 -0.082 -15.311 2.153 1.00 2.26 C ATOM 39 C ALA A 292 0.315 -13.982 2.771 1.00 1.90 C ATOM 40 O ALA A 292 -0.533 -13.227 3.246 1.00 2.49 O ATOM 41 CB ALA A 292 -1.373 -15.178 1.356 1.00 3.16 C ATOM 0 H ALA A 292 -0.920 -16.063 3.906 1.00 2.40 H new ATOM 0 HA ALA A 292 0.701 -15.627 1.463 1.00 2.26 H new ATOM 0 HB1 ALA A 292 -1.243 -14.428 0.576 1.00 3.16 H new ATOM 0 HB2 ALA A 292 -1.619 -16.137 0.900 1.00 3.16 H new ATOM 0 HB3 ALA A 292 -2.181 -14.874 2.021 1.00 3.16 H new ATOM 47 N GLN A 293 1.609 -13.720 2.788 1.00 1.56 N ATOM 48 CA GLN A 293 2.143 -12.517 3.398 1.00 1.58 C ATOM 49 C GLN A 293 3.464 -12.166 2.737 1.00 1.07 C ATOM 50 O GLN A 293 4.524 -12.644 3.136 1.00 1.32 O ATOM 51 CB GLN A 293 2.334 -12.715 4.904 1.00 2.27 C ATOM 52 CG GLN A 293 2.827 -11.469 5.622 1.00 3.06 C ATOM 53 CD GLN A 293 2.993 -11.680 7.112 1.00 4.01 C ATOM 54 OE1 GLN A 293 2.273 -12.467 7.727 1.00 4.60 O ATOM 55 NE2 GLN A 293 3.943 -10.978 7.705 1.00 4.62 N ATOM 0 H GLN A 293 2.316 -14.332 2.381 1.00 1.56 H new ATOM 0 HA GLN A 293 1.438 -11.698 3.254 1.00 1.58 H new ATOM 0 HB2 GLN A 293 1.387 -13.028 5.344 1.00 2.27 H new ATOM 0 HB3 GLN A 293 3.045 -13.525 5.069 1.00 2.27 H new ATOM 0 HG2 GLN A 293 3.781 -11.162 5.194 1.00 3.06 H new ATOM 0 HG3 GLN A 293 2.124 -10.654 5.451 1.00 3.06 H new ATOM 0 HE21 GLN A 293 4.519 -10.336 7.160 1.00 4.62 H new ATOM 0 HE22 GLN A 293 4.101 -11.078 8.708 1.00 4.62 H new ATOM 64 N LYS A 294 3.390 -11.338 1.717 1.00 0.91 N ATOM 65 CA LYS A 294 4.551 -10.994 0.929 1.00 0.64 C ATOM 66 C LYS A 294 4.624 -9.490 0.753 1.00 0.53 C ATOM 67 O LYS A 294 3.600 -8.808 0.764 1.00 0.75 O ATOM 68 CB LYS A 294 4.468 -11.691 -0.429 1.00 1.16 C ATOM 69 CG LYS A 294 5.623 -11.389 -1.362 1.00 1.84 C ATOM 70 CD LYS A 294 6.932 -11.936 -0.826 1.00 1.95 C ATOM 71 CE LYS A 294 6.884 -13.447 -0.660 1.00 2.86 C ATOM 72 NZ LYS A 294 8.164 -13.993 -0.143 1.00 3.40 N ATOM 0 H LYS A 294 2.527 -10.887 1.413 1.00 0.91 H new ATOM 0 HA LYS A 294 5.454 -11.326 1.441 1.00 0.64 H new ATOM 0 HB2 LYS A 294 4.420 -12.768 -0.268 1.00 1.16 H new ATOM 0 HB3 LYS A 294 3.538 -11.399 -0.917 1.00 1.16 H new ATOM 0 HG2 LYS A 294 5.422 -11.821 -2.342 1.00 1.84 H new ATOM 0 HG3 LYS A 294 5.708 -10.311 -1.500 1.00 1.84 H new ATOM 0 HD2 LYS A 294 7.743 -11.670 -1.504 1.00 1.95 H new ATOM 0 HD3 LYS A 294 7.155 -11.471 0.134 1.00 1.95 H new ATOM 0 HE2 LYS A 294 6.076 -13.711 0.022 1.00 2.86 H new ATOM 0 HE3 LYS A 294 6.654 -13.910 -1.620 1.00 2.86 H new ATOM 0 HZ1 LYS A 294 8.087 -15.026 -0.045 1.00 3.40 H new ATOM 0 HZ2 LYS A 294 8.932 -13.765 -0.806 1.00 3.40 H new ATOM 0 HZ3 LYS A 294 8.371 -13.572 0.785 1.00 3.40 H new ATOM 86 N ASN A 295 5.829 -8.972 0.608 1.00 0.40 N ATOM 87 CA ASN A 295 6.032 -7.559 0.397 1.00 0.28 C ATOM 88 C ASN A 295 7.154 -7.342 -0.602 1.00 0.27 C ATOM 89 O ASN A 295 8.216 -7.957 -0.510 1.00 0.33 O ATOM 90 CB ASN A 295 6.363 -6.870 1.718 1.00 0.26 C ATOM 91 CG ASN A 295 7.266 -7.704 2.613 1.00 0.37 C ATOM 92 OD1 ASN A 295 8.486 -7.639 2.510 1.00 1.07 O ATOM 93 ND2 ASN A 295 6.673 -8.494 3.496 1.00 1.25 N ATOM 0 H ASN A 295 6.689 -9.520 0.634 1.00 0.40 H new ATOM 0 HA ASN A 295 5.114 -7.126 -0.001 1.00 0.28 H new ATOM 0 HB2 ASN A 295 6.846 -5.915 1.512 1.00 0.26 H new ATOM 0 HB3 ASN A 295 5.437 -6.650 2.249 1.00 0.26 H new ATOM 0 HD21 ASN A 295 7.235 -9.074 4.119 1.00 1.25 H new ATOM 0 HD22 ASN A 295 5.655 -8.522 3.553 1.00 1.25 H new ATOM 100 N GLU A 296 6.906 -6.467 -1.553 1.00 0.26 N ATOM 101 CA GLU A 296 7.888 -6.142 -2.576 1.00 0.31 C ATOM 102 C GLU A 296 8.906 -5.156 -2.018 1.00 0.23 C ATOM 103 O GLU A 296 8.631 -4.465 -1.036 1.00 0.31 O ATOM 104 CB GLU A 296 7.194 -5.589 -3.824 1.00 0.47 C ATOM 105 CG GLU A 296 6.202 -6.573 -4.433 1.00 0.63 C ATOM 106 CD GLU A 296 5.645 -6.115 -5.766 1.00 0.83 C ATOM 107 OE1 GLU A 296 4.752 -5.244 -5.782 1.00 1.11 O ATOM 108 OE2 GLU A 296 6.090 -6.635 -6.808 1.00 0.98 O ATOM 0 H GLU A 296 6.025 -5.961 -1.643 1.00 0.26 H new ATOM 0 HA GLU A 296 8.419 -7.048 -2.870 1.00 0.31 H new ATOM 0 HB2 GLU A 296 6.673 -4.667 -3.566 1.00 0.47 H new ATOM 0 HB3 GLU A 296 7.947 -5.331 -4.569 1.00 0.47 H new ATOM 0 HG2 GLU A 296 6.692 -7.538 -4.564 1.00 0.63 H new ATOM 0 HG3 GLU A 296 5.378 -6.726 -3.736 1.00 0.63 H new ATOM 115 N ASP A 297 10.092 -5.118 -2.611 1.00 0.22 N ATOM 116 CA ASP A 297 11.181 -4.306 -2.070 1.00 0.20 C ATOM 117 C ASP A 297 11.385 -3.052 -2.905 1.00 0.19 C ATOM 118 O ASP A 297 12.385 -2.352 -2.752 1.00 0.30 O ATOM 119 CB ASP A 297 12.495 -5.095 -2.009 1.00 0.28 C ATOM 120 CG ASP A 297 12.354 -6.449 -1.338 1.00 0.37 C ATOM 121 OD1 ASP A 297 12.428 -6.509 -0.093 1.00 0.45 O ATOM 122 OD2 ASP A 297 12.172 -7.462 -2.048 1.00 0.49 O ATOM 0 H ASP A 297 10.326 -5.634 -3.459 1.00 0.22 H new ATOM 0 HA ASP A 297 10.897 -4.024 -1.056 1.00 0.20 H new ATOM 0 HB2 ASP A 297 12.872 -5.237 -3.022 1.00 0.28 H new ATOM 0 HB3 ASP A 297 13.239 -4.507 -1.471 1.00 0.28 H new ATOM 127 N GLU A 298 10.447 -2.775 -3.796 1.00 0.21 N ATOM 128 CA GLU A 298 10.479 -1.547 -4.566 1.00 0.25 C ATOM 129 C GLU A 298 9.088 -0.945 -4.666 1.00 0.25 C ATOM 130 O GLU A 298 8.085 -1.654 -4.723 1.00 0.40 O ATOM 131 CB GLU A 298 11.104 -1.751 -5.958 1.00 0.42 C ATOM 132 CG GLU A 298 10.763 -3.066 -6.651 1.00 0.89 C ATOM 133 CD GLU A 298 9.326 -3.152 -7.125 1.00 1.81 C ATOM 134 OE1 GLU A 298 8.970 -2.421 -8.071 1.00 2.25 O ATOM 135 OE2 GLU A 298 8.543 -3.928 -6.538 1.00 2.53 O ATOM 0 H GLU A 298 9.656 -3.385 -4.002 1.00 0.21 H new ATOM 0 HA GLU A 298 11.121 -0.843 -4.036 1.00 0.25 H new ATOM 0 HB2 GLU A 298 10.788 -0.930 -6.602 1.00 0.42 H new ATOM 0 HB3 GLU A 298 12.188 -1.682 -5.863 1.00 0.42 H new ATOM 0 HG2 GLU A 298 11.426 -3.198 -7.506 1.00 0.89 H new ATOM 0 HG3 GLU A 298 10.959 -3.890 -5.964 1.00 0.89 H new ATOM 142 N CYS A 299 9.048 0.371 -4.627 1.00 0.18 N ATOM 143 CA CYS A 299 7.803 1.107 -4.692 1.00 0.17 C ATOM 144 C CYS A 299 7.190 1.019 -6.082 1.00 0.18 C ATOM 145 O CYS A 299 7.888 1.145 -7.089 1.00 0.21 O ATOM 146 CB CYS A 299 8.052 2.565 -4.319 1.00 0.17 C ATOM 147 SG CYS A 299 6.582 3.634 -4.427 1.00 0.17 S ATOM 0 H CYS A 299 9.877 0.960 -4.549 1.00 0.18 H new ATOM 0 HA CYS A 299 7.100 0.666 -3.985 1.00 0.17 H new ATOM 0 HB2 CYS A 299 8.441 2.605 -3.301 1.00 0.17 H new ATOM 0 HB3 CYS A 299 8.827 2.967 -4.972 1.00 0.17 H new ATOM 152 N ALA A 300 5.872 0.837 -6.120 1.00 0.21 N ATOM 153 CA ALA A 300 5.127 0.756 -7.372 1.00 0.26 C ATOM 154 C ALA A 300 5.173 2.082 -8.131 1.00 0.26 C ATOM 155 O ALA A 300 4.778 2.162 -9.291 1.00 0.31 O ATOM 156 CB ALA A 300 3.687 0.364 -7.092 1.00 0.31 C ATOM 0 H ALA A 300 5.293 0.742 -5.286 1.00 0.21 H new ATOM 0 HA ALA A 300 5.594 -0.005 -7.997 1.00 0.26 H new ATOM 0 HB1 ALA A 300 3.137 0.305 -8.031 1.00 0.31 H new ATOM 0 HB2 ALA A 300 3.664 -0.607 -6.597 1.00 0.31 H new ATOM 0 HB3 ALA A 300 3.225 1.112 -6.447 1.00 0.31 H new ATOM 162 N VAL A 301 5.654 3.125 -7.459 1.00 0.22 N ATOM 163 CA VAL A 301 5.718 4.457 -8.041 1.00 0.23 C ATOM 164 C VAL A 301 7.035 4.683 -8.789 1.00 0.25 C ATOM 165 O VAL A 301 7.041 4.811 -10.010 1.00 0.31 O ATOM 166 CB VAL A 301 5.529 5.551 -6.961 1.00 0.20 C ATOM 167 CG1 VAL A 301 5.713 6.945 -7.545 1.00 0.22 C ATOM 168 CG2 VAL A 301 4.158 5.428 -6.312 1.00 0.22 C ATOM 0 H VAL A 301 6.007 3.069 -6.504 1.00 0.22 H new ATOM 0 HA VAL A 301 4.900 4.530 -8.758 1.00 0.23 H new ATOM 0 HB VAL A 301 6.295 5.402 -6.200 1.00 0.20 H new ATOM 0 HG11 VAL A 301 5.574 7.689 -6.761 1.00 0.22 H new ATOM 0 HG12 VAL A 301 6.718 7.037 -7.958 1.00 0.22 H new ATOM 0 HG13 VAL A 301 4.980 7.108 -8.335 1.00 0.22 H new ATOM 0 HG21 VAL A 301 4.042 6.204 -5.556 1.00 0.22 H new ATOM 0 HG22 VAL A 301 3.384 5.543 -7.071 1.00 0.22 H new ATOM 0 HG23 VAL A 301 4.064 4.448 -5.843 1.00 0.22 H new ATOM 178 N CYS A 302 8.150 4.722 -8.062 1.00 0.25 N ATOM 179 CA CYS A 302 9.441 5.056 -8.668 1.00 0.31 C ATOM 180 C CYS A 302 10.373 3.848 -8.767 1.00 0.29 C ATOM 181 O CYS A 302 11.546 3.991 -9.120 1.00 0.33 O ATOM 182 CB CYS A 302 10.114 6.166 -7.866 1.00 0.34 C ATOM 183 SG CYS A 302 10.235 5.808 -6.085 1.00 0.29 S ATOM 0 H CYS A 302 8.188 4.529 -7.061 1.00 0.25 H new ATOM 0 HA CYS A 302 9.244 5.394 -9.685 1.00 0.31 H new ATOM 0 HB2 CYS A 302 11.115 6.334 -8.263 1.00 0.34 H new ATOM 0 HB3 CYS A 302 9.557 7.092 -8.005 1.00 0.34 H new ATOM 188 N ARG A 303 9.845 2.665 -8.453 1.00 0.27 N ATOM 189 CA ARG A 303 10.594 1.406 -8.565 1.00 0.30 C ATOM 190 C ARG A 303 11.883 1.423 -7.745 1.00 0.26 C ATOM 191 O ARG A 303 12.887 0.817 -8.131 1.00 0.29 O ATOM 192 CB ARG A 303 10.902 1.100 -10.033 1.00 0.41 C ATOM 193 CG ARG A 303 9.652 0.915 -10.875 1.00 0.54 C ATOM 194 CD ARG A 303 8.778 -0.194 -10.315 1.00 0.66 C ATOM 195 NE ARG A 303 7.432 -0.176 -10.873 1.00 1.24 N ATOM 196 CZ ARG A 303 6.420 -0.874 -10.368 1.00 1.48 C ATOM 197 NH1 ARG A 303 6.612 -1.653 -9.306 1.00 1.13 N ATOM 198 NH2 ARG A 303 5.216 -0.795 -10.918 1.00 2.38 N ATOM 0 H ARG A 303 8.890 2.549 -8.115 1.00 0.27 H new ATOM 0 HA ARG A 303 9.962 0.617 -8.157 1.00 0.30 H new ATOM 0 HB2 ARG A 303 11.498 1.912 -10.450 1.00 0.41 H new ATOM 0 HB3 ARG A 303 11.509 0.197 -10.091 1.00 0.41 H new ATOM 0 HG2 ARG A 303 9.088 1.847 -10.905 1.00 0.54 H new ATOM 0 HG3 ARG A 303 9.932 0.679 -11.902 1.00 0.54 H new ATOM 0 HD2 ARG A 303 9.242 -1.158 -10.523 1.00 0.66 H new ATOM 0 HD3 ARG A 303 8.720 -0.095 -9.231 1.00 0.66 H new ATOM 0 HE ARG A 303 7.257 0.403 -11.694 1.00 1.24 H new ATOM 0 HH11 ARG A 303 7.536 -1.715 -8.879 1.00 1.13 H new ATOM 0 HH12 ARG A 303 5.835 -2.188 -8.919 1.00 1.13 H new ATOM 0 HH21 ARG A 303 5.065 -0.197 -11.731 1.00 2.38 H new ATOM 0 HH22 ARG A 303 4.441 -1.332 -10.528 1.00 2.38 H new ATOM 212 N ASP A 304 11.855 2.115 -6.617 1.00 0.24 N ATOM 213 CA ASP A 304 13.004 2.164 -5.726 1.00 0.27 C ATOM 214 C ASP A 304 12.610 1.642 -4.355 1.00 0.24 C ATOM 215 O ASP A 304 11.436 1.383 -4.101 1.00 0.31 O ATOM 216 CB ASP A 304 13.530 3.590 -5.609 1.00 0.34 C ATOM 217 CG ASP A 304 15.031 3.640 -5.395 1.00 0.77 C ATOM 218 OD1 ASP A 304 15.523 3.009 -4.431 1.00 1.21 O ATOM 219 OD2 ASP A 304 15.726 4.307 -6.186 1.00 1.54 O ATOM 0 H ASP A 304 11.049 2.651 -6.296 1.00 0.24 H new ATOM 0 HA ASP A 304 13.795 1.537 -6.138 1.00 0.27 H new ATOM 0 HB2 ASP A 304 13.277 4.143 -6.514 1.00 0.34 H new ATOM 0 HB3 ASP A 304 13.031 4.091 -4.779 1.00 0.34 H new ATOM 224 N GLY A 305 13.582 1.515 -3.471 1.00 0.27 N ATOM 225 CA GLY A 305 13.332 0.947 -2.165 1.00 0.31 C ATOM 226 C GLY A 305 13.570 1.953 -1.064 1.00 0.35 C ATOM 227 O GLY A 305 13.795 3.136 -1.334 1.00 0.70 O ATOM 0 H GLY A 305 14.548 1.797 -3.635 1.00 0.27 H new ATOM 0 HA2 GLY A 305 12.304 0.589 -2.115 1.00 0.31 H new ATOM 0 HA3 GLY A 305 13.979 0.083 -2.014 1.00 0.31 H new ATOM 231 N GLY A 306 13.529 1.495 0.174 1.00 0.33 N ATOM 232 CA GLY A 306 13.737 2.382 1.297 1.00 0.35 C ATOM 233 C GLY A 306 12.590 2.326 2.272 1.00 0.34 C ATOM 234 O GLY A 306 12.143 1.241 2.643 1.00 0.40 O ATOM 0 H GLY A 306 13.355 0.521 0.423 1.00 0.33 H new ATOM 0 HA2 GLY A 306 14.662 2.112 1.807 1.00 0.35 H new ATOM 0 HA3 GLY A 306 13.858 3.403 0.936 1.00 0.35 H new ATOM 238 N GLU A 307 12.102 3.490 2.677 1.00 0.37 N ATOM 239 CA GLU A 307 10.987 3.570 3.609 1.00 0.42 C ATOM 240 C GLU A 307 9.688 3.182 2.912 1.00 0.33 C ATOM 241 O GLU A 307 8.897 4.037 2.510 1.00 0.39 O ATOM 242 CB GLU A 307 10.889 4.974 4.199 1.00 0.59 C ATOM 243 CG GLU A 307 12.186 5.437 4.838 1.00 0.74 C ATOM 244 CD GLU A 307 12.059 6.780 5.514 1.00 1.17 C ATOM 245 OE1 GLU A 307 12.028 7.802 4.798 1.00 1.91 O ATOM 246 OE2 GLU A 307 11.974 6.823 6.759 1.00 1.51 O ATOM 0 H GLU A 307 12.462 4.395 2.373 1.00 0.37 H new ATOM 0 HA GLU A 307 11.160 2.869 4.426 1.00 0.42 H new ATOM 0 HB2 GLU A 307 10.607 5.674 3.413 1.00 0.59 H new ATOM 0 HB3 GLU A 307 10.094 4.995 4.945 1.00 0.59 H new ATOM 0 HG2 GLU A 307 12.510 4.697 5.569 1.00 0.74 H new ATOM 0 HG3 GLU A 307 12.962 5.492 4.075 1.00 0.74 H new ATOM 253 N LEU A 308 9.496 1.883 2.764 1.00 0.24 N ATOM 254 CA LEU A 308 8.358 1.340 2.046 1.00 0.16 C ATOM 255 C LEU A 308 7.191 1.072 2.982 1.00 0.15 C ATOM 256 O LEU A 308 7.378 0.805 4.166 1.00 0.21 O ATOM 257 CB LEU A 308 8.749 0.038 1.353 1.00 0.16 C ATOM 258 CG LEU A 308 9.832 0.149 0.280 1.00 0.15 C ATOM 259 CD1 LEU A 308 10.356 -1.232 -0.067 1.00 0.18 C ATOM 260 CD2 LEU A 308 9.288 0.832 -0.966 1.00 0.14 C ATOM 0 H LEU A 308 10.126 1.174 3.139 1.00 0.24 H new ATOM 0 HA LEU A 308 8.051 2.079 1.306 1.00 0.16 H new ATOM 0 HB2 LEU A 308 9.088 -0.667 2.112 1.00 0.16 H new ATOM 0 HB3 LEU A 308 7.856 -0.390 0.897 1.00 0.16 H new ATOM 0 HG LEU A 308 10.649 0.754 0.672 1.00 0.15 H new ATOM 0 HD11 LEU A 308 11.128 -1.147 -0.832 1.00 0.18 H new ATOM 0 HD12 LEU A 308 10.779 -1.695 0.824 1.00 0.18 H new ATOM 0 HD13 LEU A 308 9.539 -1.847 -0.443 1.00 0.18 H new ATOM 0 HD21 LEU A 308 10.075 0.900 -1.717 1.00 0.14 H new ATOM 0 HD22 LEU A 308 8.456 0.252 -1.365 1.00 0.14 H new ATOM 0 HD23 LEU A 308 8.942 1.834 -0.710 1.00 0.14 H new ATOM 272 N ILE A 309 5.995 1.143 2.431 1.00 0.12 N ATOM 273 CA ILE A 309 4.786 0.786 3.144 1.00 0.12 C ATOM 274 C ILE A 309 3.934 -0.127 2.258 1.00 0.11 C ATOM 275 O ILE A 309 3.354 0.303 1.260 1.00 0.15 O ATOM 276 CB ILE A 309 3.995 2.044 3.594 1.00 0.13 C ATOM 277 CG1 ILE A 309 2.664 1.651 4.242 1.00 0.15 C ATOM 278 CG2 ILE A 309 3.771 3.002 2.430 1.00 0.14 C ATOM 279 CD1 ILE A 309 1.896 2.830 4.797 1.00 0.21 C ATOM 0 H ILE A 309 5.835 1.451 1.472 1.00 0.12 H new ATOM 0 HA ILE A 309 5.055 0.250 4.054 1.00 0.12 H new ATOM 0 HB ILE A 309 4.595 2.563 4.341 1.00 0.13 H new ATOM 0 HG12 ILE A 309 2.046 1.139 3.504 1.00 0.15 H new ATOM 0 HG13 ILE A 309 2.855 0.940 5.046 1.00 0.15 H new ATOM 0 HG21 ILE A 309 3.215 3.873 2.777 1.00 0.14 H new ATOM 0 HG22 ILE A 309 4.734 3.322 2.032 1.00 0.14 H new ATOM 0 HG23 ILE A 309 3.204 2.498 1.648 1.00 0.14 H new ATOM 0 HD11 ILE A 309 0.964 2.481 5.241 1.00 0.21 H new ATOM 0 HD12 ILE A 309 2.496 3.329 5.558 1.00 0.21 H new ATOM 0 HD13 ILE A 309 1.674 3.531 3.992 1.00 0.21 H new ATOM 291 N CYS A 310 3.920 -1.402 2.607 1.00 0.12 N ATOM 292 CA CYS A 310 3.271 -2.419 1.796 1.00 0.12 C ATOM 293 C CYS A 310 1.810 -2.599 2.190 1.00 0.11 C ATOM 294 O CYS A 310 1.435 -2.449 3.358 1.00 0.12 O ATOM 295 CB CYS A 310 4.030 -3.742 1.931 1.00 0.14 C ATOM 296 SG CYS A 310 3.297 -5.133 1.042 1.00 1.36 S ATOM 0 H CYS A 310 4.356 -1.761 3.456 1.00 0.12 H new ATOM 0 HA CYS A 310 3.290 -2.094 0.756 1.00 0.12 H new ATOM 0 HB2 CYS A 310 5.049 -3.597 1.573 1.00 0.14 H new ATOM 0 HB3 CYS A 310 4.097 -4.000 2.988 1.00 0.14 H new ATOM 0 HG CYS A 310 2.049 -5.257 1.383 1.00 1.36 H new ATOM 302 N CYS A 311 0.992 -2.904 1.193 1.00 0.11 N ATOM 303 CA CYS A 311 -0.433 -3.120 1.382 1.00 0.12 C ATOM 304 C CYS A 311 -0.703 -4.470 2.041 1.00 0.14 C ATOM 305 O CYS A 311 0.115 -5.391 1.954 1.00 0.17 O ATOM 306 CB CYS A 311 -1.149 -3.028 0.030 1.00 0.16 C ATOM 307 SG CYS A 311 -2.938 -3.374 0.084 1.00 0.20 S ATOM 0 H CYS A 311 1.301 -3.009 0.226 1.00 0.11 H new ATOM 0 HA CYS A 311 -0.818 -2.346 2.046 1.00 0.12 H new ATOM 0 HB2 CYS A 311 -0.999 -2.028 -0.377 1.00 0.16 H new ATOM 0 HB3 CYS A 311 -0.679 -3.727 -0.662 1.00 0.16 H new ATOM 312 N ASP A 312 -1.828 -4.574 2.731 1.00 0.19 N ATOM 313 CA ASP A 312 -2.208 -5.823 3.375 1.00 0.26 C ATOM 314 C ASP A 312 -2.359 -6.951 2.353 1.00 0.27 C ATOM 315 O ASP A 312 -1.541 -7.875 2.311 1.00 0.31 O ATOM 316 CB ASP A 312 -3.494 -5.669 4.182 1.00 0.35 C ATOM 317 CG ASP A 312 -3.822 -6.932 4.953 1.00 0.53 C ATOM 318 OD1 ASP A 312 -3.025 -7.332 5.826 1.00 0.66 O ATOM 319 OD2 ASP A 312 -4.896 -7.521 4.698 1.00 0.64 O ATOM 0 H ASP A 312 -2.493 -3.811 2.860 1.00 0.19 H new ATOM 0 HA ASP A 312 -1.404 -6.085 4.063 1.00 0.26 H new ATOM 0 HB2 ASP A 312 -3.391 -4.835 4.876 1.00 0.35 H new ATOM 0 HB3 ASP A 312 -4.318 -5.427 3.511 1.00 0.35 H new ATOM 324 N GLY A 313 -3.391 -6.855 1.521 1.00 0.29 N ATOM 325 CA GLY A 313 -3.696 -7.919 0.581 1.00 0.37 C ATOM 326 C GLY A 313 -2.884 -7.858 -0.702 1.00 0.28 C ATOM 327 O GLY A 313 -2.989 -8.750 -1.546 1.00 0.31 O ATOM 0 H GLY A 313 -4.024 -6.056 1.481 1.00 0.29 H new ATOM 0 HA2 GLY A 313 -3.521 -8.880 1.065 1.00 0.37 H new ATOM 0 HA3 GLY A 313 -4.756 -7.877 0.331 1.00 0.37 H new ATOM 331 N CYS A 314 -2.077 -6.820 -0.857 1.00 0.25 N ATOM 332 CA CYS A 314 -1.248 -6.677 -2.048 1.00 0.24 C ATOM 333 C CYS A 314 0.205 -6.429 -1.664 1.00 0.18 C ATOM 334 O CYS A 314 0.507 -5.521 -0.891 1.00 0.17 O ATOM 335 CB CYS A 314 -1.761 -5.543 -2.942 1.00 0.35 C ATOM 336 SG CYS A 314 -3.448 -5.807 -3.580 1.00 1.34 S ATOM 0 H CYS A 314 -1.977 -6.066 -0.177 1.00 0.25 H new ATOM 0 HA CYS A 314 -1.307 -7.609 -2.610 1.00 0.24 H new ATOM 0 HB2 CYS A 314 -1.739 -4.611 -2.377 1.00 0.35 H new ATOM 0 HB3 CYS A 314 -1.080 -5.422 -3.784 1.00 0.35 H new ATOM 341 N PRO A 315 1.125 -7.235 -2.215 1.00 0.22 N ATOM 342 CA PRO A 315 2.550 -7.181 -1.866 1.00 0.23 C ATOM 343 C PRO A 315 3.235 -5.872 -2.267 1.00 0.19 C ATOM 344 O PRO A 315 4.363 -5.614 -1.849 1.00 0.22 O ATOM 345 CB PRO A 315 3.160 -8.361 -2.630 1.00 0.33 C ATOM 346 CG PRO A 315 2.204 -8.652 -3.734 1.00 0.52 C ATOM 347 CD PRO A 315 0.843 -8.277 -3.219 1.00 0.31 C ATOM 0 HA PRO A 315 2.685 -7.233 -0.786 1.00 0.23 H new ATOM 0 HB2 PRO A 315 4.146 -8.109 -3.020 1.00 0.33 H new ATOM 0 HB3 PRO A 315 3.286 -9.227 -1.980 1.00 0.33 H new ATOM 0 HG2 PRO A 315 2.454 -8.079 -4.627 1.00 0.52 H new ATOM 0 HG3 PRO A 315 2.239 -9.706 -4.012 1.00 0.52 H new ATOM 0 HD2 PRO A 315 0.202 -7.902 -4.017 1.00 0.31 H new ATOM 0 HD3 PRO A 315 0.333 -9.132 -2.776 1.00 0.31 H new ATOM 355 N ARG A 316 2.562 -5.049 -3.069 1.00 0.18 N ATOM 356 CA ARG A 316 3.124 -3.762 -3.475 1.00 0.18 C ATOM 357 C ARG A 316 3.424 -2.887 -2.267 1.00 0.14 C ATOM 358 O ARG A 316 2.570 -2.690 -1.394 1.00 0.17 O ATOM 359 CB ARG A 316 2.192 -3.006 -4.429 1.00 0.22 C ATOM 360 CG ARG A 316 2.150 -3.586 -5.829 1.00 0.32 C ATOM 361 CD ARG A 316 1.493 -2.640 -6.824 1.00 0.39 C ATOM 362 NE ARG A 316 1.465 -3.219 -8.168 1.00 0.67 N ATOM 363 CZ ARG A 316 0.573 -2.910 -9.110 1.00 0.87 C ATOM 364 NH1 ARG A 316 -0.375 -2.013 -8.875 1.00 1.30 N ATOM 365 NH2 ARG A 316 0.642 -3.489 -10.306 1.00 1.11 N ATOM 0 H ARG A 316 1.636 -5.247 -3.448 1.00 0.18 H new ATOM 0 HA ARG A 316 4.053 -3.982 -4.000 1.00 0.18 H new ATOM 0 HB2 ARG A 316 1.184 -3.007 -4.015 1.00 0.22 H new ATOM 0 HB3 ARG A 316 2.512 -1.965 -4.486 1.00 0.22 H new ATOM 0 HG2 ARG A 316 3.165 -3.809 -6.158 1.00 0.32 H new ATOM 0 HG3 ARG A 316 1.605 -4.530 -5.813 1.00 0.32 H new ATOM 0 HD2 ARG A 316 0.476 -2.417 -6.500 1.00 0.39 H new ATOM 0 HD3 ARG A 316 2.036 -1.695 -6.844 1.00 0.39 H new ATOM 0 HE ARG A 316 2.179 -3.909 -8.401 1.00 0.67 H new ATOM 0 HH11 ARG A 316 -0.427 -1.552 -7.967 1.00 1.30 H new ATOM 0 HH12 ARG A 316 -1.052 -1.784 -9.603 1.00 1.30 H new ATOM 0 HH21 ARG A 316 1.377 -4.169 -10.502 1.00 1.11 H new ATOM 0 HH22 ARG A 316 -0.040 -3.253 -11.027 1.00 1.11 H new ATOM 379 N ALA A 317 4.644 -2.376 -2.224 1.00 0.12 N ATOM 380 CA ALA A 317 5.058 -1.448 -1.192 1.00 0.11 C ATOM 381 C ALA A 317 5.300 -0.082 -1.824 1.00 0.10 C ATOM 382 O ALA A 317 5.721 0.003 -2.976 1.00 0.14 O ATOM 383 CB ALA A 317 6.311 -1.961 -0.490 1.00 0.14 C ATOM 0 H ALA A 317 5.372 -2.595 -2.904 1.00 0.12 H new ATOM 0 HA ALA A 317 4.275 -1.357 -0.440 1.00 0.11 H new ATOM 0 HB1 ALA A 317 6.611 -1.253 0.283 1.00 0.14 H new ATOM 0 HB2 ALA A 317 6.102 -2.929 -0.035 1.00 0.14 H new ATOM 0 HB3 ALA A 317 7.117 -2.068 -1.216 1.00 0.14 H new ATOM 389 N PHE A 318 5.008 0.980 -1.095 1.00 0.11 N ATOM 390 CA PHE A 318 5.102 2.322 -1.653 1.00 0.10 C ATOM 391 C PHE A 318 5.955 3.228 -0.779 1.00 0.11 C ATOM 392 O PHE A 318 6.225 2.914 0.372 1.00 0.14 O ATOM 393 CB PHE A 318 3.708 2.937 -1.781 1.00 0.12 C ATOM 394 CG PHE A 318 2.743 2.137 -2.612 1.00 0.13 C ATOM 395 CD1 PHE A 318 2.085 1.043 -2.072 1.00 0.15 C ATOM 396 CD2 PHE A 318 2.476 2.491 -3.923 1.00 0.18 C ATOM 397 CE1 PHE A 318 1.185 0.317 -2.824 1.00 0.19 C ATOM 398 CE2 PHE A 318 1.572 1.771 -4.679 1.00 0.21 C ATOM 399 CZ PHE A 318 0.927 0.682 -4.128 1.00 0.21 C ATOM 0 H PHE A 318 4.706 0.943 -0.122 1.00 0.11 H new ATOM 0 HA PHE A 318 5.568 2.236 -2.634 1.00 0.10 H new ATOM 0 HB2 PHE A 318 3.289 3.064 -0.783 1.00 0.12 H new ATOM 0 HB3 PHE A 318 3.803 3.932 -2.216 1.00 0.12 H new ATOM 0 HD1 PHE A 318 2.280 0.755 -1.049 1.00 0.15 H new ATOM 0 HD2 PHE A 318 2.980 3.340 -4.360 1.00 0.18 H new ATOM 0 HE1 PHE A 318 0.683 -0.536 -2.392 1.00 0.19 H new ATOM 0 HE2 PHE A 318 1.370 2.060 -5.700 1.00 0.21 H new ATOM 0 HZ PHE A 318 0.221 0.117 -4.718 1.00 0.21 H new ATOM 409 N HIS A 319 6.387 4.346 -1.342 1.00 0.11 N ATOM 410 CA HIS A 319 7.029 5.389 -0.557 1.00 0.12 C ATOM 411 C HIS A 319 5.970 6.361 -0.055 1.00 0.12 C ATOM 412 O HIS A 319 4.989 6.614 -0.763 1.00 0.13 O ATOM 413 CB HIS A 319 8.079 6.144 -1.378 1.00 0.14 C ATOM 414 CG HIS A 319 9.304 5.343 -1.707 1.00 0.14 C ATOM 415 ND1 HIS A 319 9.595 4.978 -2.998 1.00 0.16 N ATOM 416 CD2 HIS A 319 10.292 4.899 -0.891 1.00 0.17 C ATOM 417 CE1 HIS A 319 10.747 4.330 -2.944 1.00 0.18 C ATOM 418 NE2 HIS A 319 11.207 4.258 -1.690 1.00 0.18 N ATOM 0 H HIS A 319 6.305 4.554 -2.337 1.00 0.11 H new ATOM 0 HA HIS A 319 7.539 4.921 0.285 1.00 0.12 H new ATOM 0 HB2 HIS A 319 7.621 6.482 -2.307 1.00 0.14 H new ATOM 0 HB3 HIS A 319 8.380 7.036 -0.828 1.00 0.14 H new ATOM 0 HD2 HIS A 319 10.348 5.025 0.180 1.00 0.17 H new ATOM 0 HE1 HIS A 319 11.252 3.912 -3.803 1.00 0.18 H new ATOM 0 HE2 HIS A 319 12.072 3.812 -1.385 1.00 0.18 H new ATOM 426 N LEU A 320 6.158 6.910 1.138 1.00 0.14 N ATOM 427 CA LEU A 320 5.132 7.749 1.755 1.00 0.15 C ATOM 428 C LEU A 320 4.747 8.916 0.848 1.00 0.14 C ATOM 429 O LEU A 320 3.573 9.086 0.511 1.00 0.15 O ATOM 430 CB LEU A 320 5.600 8.273 3.114 1.00 0.18 C ATOM 431 CG LEU A 320 5.783 7.211 4.205 1.00 0.22 C ATOM 432 CD1 LEU A 320 6.270 7.857 5.491 1.00 0.27 C ATOM 433 CD2 LEU A 320 4.474 6.468 4.453 1.00 0.23 C ATOM 0 H LEU A 320 7.004 6.793 1.696 1.00 0.14 H new ATOM 0 HA LEU A 320 4.249 7.127 1.904 1.00 0.15 H new ATOM 0 HB2 LEU A 320 6.548 8.794 2.976 1.00 0.18 H new ATOM 0 HB3 LEU A 320 4.879 9.011 3.467 1.00 0.18 H new ATOM 0 HG LEU A 320 6.530 6.493 3.866 1.00 0.22 H new ATOM 0 HD11 LEU A 320 6.396 7.092 6.257 1.00 0.27 H new ATOM 0 HD12 LEU A 320 7.225 8.351 5.311 1.00 0.27 H new ATOM 0 HD13 LEU A 320 5.539 8.592 5.828 1.00 0.27 H new ATOM 0 HD21 LEU A 320 4.623 5.718 5.230 1.00 0.23 H new ATOM 0 HD22 LEU A 320 3.709 7.175 4.773 1.00 0.23 H new ATOM 0 HD23 LEU A 320 4.154 5.979 3.533 1.00 0.23 H new ATOM 445 N ALA A 321 5.748 9.685 0.424 1.00 0.15 N ATOM 446 CA ALA A 321 5.522 10.879 -0.389 1.00 0.16 C ATOM 447 C ALA A 321 5.049 10.527 -1.799 1.00 0.16 C ATOM 448 O ALA A 321 4.408 11.338 -2.467 1.00 0.20 O ATOM 449 CB ALA A 321 6.795 11.713 -0.459 1.00 0.19 C ATOM 0 H ALA A 321 6.730 9.501 0.632 1.00 0.15 H new ATOM 0 HA ALA A 321 4.732 11.458 0.089 1.00 0.16 H new ATOM 0 HB1 ALA A 321 6.616 12.600 -1.067 1.00 0.19 H new ATOM 0 HB2 ALA A 321 7.088 12.015 0.547 1.00 0.19 H new ATOM 0 HB3 ALA A 321 7.593 11.121 -0.907 1.00 0.19 H new ATOM 455 N CYS A 322 5.374 9.324 -2.247 1.00 0.15 N ATOM 456 CA CYS A 322 4.992 8.878 -3.584 1.00 0.16 C ATOM 457 C CYS A 322 3.507 8.537 -3.644 1.00 0.14 C ATOM 458 O CYS A 322 2.895 8.573 -4.714 1.00 0.18 O ATOM 459 CB CYS A 322 5.835 7.674 -4.011 1.00 0.17 C ATOM 460 SG CYS A 322 7.615 8.030 -4.140 1.00 0.21 S ATOM 0 H CYS A 322 5.901 8.637 -1.707 1.00 0.15 H new ATOM 0 HA CYS A 322 5.180 9.697 -4.278 1.00 0.16 H new ATOM 0 HB2 CYS A 322 5.687 6.866 -3.294 1.00 0.17 H new ATOM 0 HB3 CYS A 322 5.475 7.314 -4.975 1.00 0.17 H new ATOM 465 N LEU A 323 2.932 8.211 -2.494 1.00 0.13 N ATOM 466 CA LEU A 323 1.511 7.910 -2.402 1.00 0.15 C ATOM 467 C LEU A 323 0.655 9.161 -2.530 1.00 0.19 C ATOM 468 O LEU A 323 1.127 10.276 -2.328 1.00 0.20 O ATOM 469 CB LEU A 323 1.211 7.225 -1.073 1.00 0.15 C ATOM 470 CG LEU A 323 1.575 5.747 -1.019 1.00 0.15 C ATOM 471 CD1 LEU A 323 1.429 5.217 0.395 1.00 0.19 C ATOM 472 CD2 LEU A 323 0.696 4.956 -1.975 1.00 0.20 C ATOM 0 H LEU A 323 3.432 8.148 -1.607 1.00 0.13 H new ATOM 0 HA LEU A 323 1.263 7.247 -3.230 1.00 0.15 H new ATOM 0 HB2 LEU A 323 1.750 7.746 -0.282 1.00 0.15 H new ATOM 0 HB3 LEU A 323 0.148 7.331 -0.858 1.00 0.15 H new ATOM 0 HG LEU A 323 2.615 5.632 -1.324 1.00 0.15 H new ATOM 0 HD11 LEU A 323 1.693 4.160 0.416 1.00 0.19 H new ATOM 0 HD12 LEU A 323 2.092 5.770 1.061 1.00 0.19 H new ATOM 0 HD13 LEU A 323 0.398 5.340 0.725 1.00 0.19 H new ATOM 0 HD21 LEU A 323 0.965 3.901 -1.928 1.00 0.20 H new ATOM 0 HD22 LEU A 323 -0.350 5.077 -1.692 1.00 0.20 H new ATOM 0 HD23 LEU A 323 0.842 5.323 -2.991 1.00 0.20 H new ATOM 484 N SER A 324 -0.601 8.957 -2.884 1.00 0.24 N ATOM 485 CA SER A 324 -1.572 10.031 -2.946 1.00 0.30 C ATOM 486 C SER A 324 -2.914 9.544 -2.404 1.00 0.33 C ATOM 487 O SER A 324 -3.523 8.643 -2.982 1.00 0.38 O ATOM 488 CB SER A 324 -1.725 10.520 -4.385 1.00 0.39 C ATOM 489 OG SER A 324 -2.587 11.642 -4.460 1.00 0.93 O ATOM 0 H SER A 324 -0.975 8.042 -3.136 1.00 0.24 H new ATOM 0 HA SER A 324 -1.225 10.863 -2.334 1.00 0.30 H new ATOM 0 HB2 SER A 324 -0.747 10.783 -4.788 1.00 0.39 H new ATOM 0 HB3 SER A 324 -2.119 9.714 -5.005 1.00 0.39 H new ATOM 0 HG SER A 324 -2.664 11.933 -5.392 1.00 0.93 H new ATOM 495 N PRO A 325 -3.381 10.098 -1.272 1.00 0.33 N ATOM 496 CA PRO A 325 -2.646 11.102 -0.492 1.00 0.30 C ATOM 497 C PRO A 325 -1.453 10.494 0.238 1.00 0.26 C ATOM 498 O PRO A 325 -1.509 9.352 0.696 1.00 0.31 O ATOM 499 CB PRO A 325 -3.686 11.614 0.522 1.00 0.35 C ATOM 500 CG PRO A 325 -4.998 11.071 0.060 1.00 0.61 C ATOM 501 CD PRO A 325 -4.679 9.797 -0.663 1.00 0.40 C ATOM 0 HA PRO A 325 -2.234 11.887 -1.126 1.00 0.30 H new ATOM 0 HB2 PRO A 325 -3.453 11.271 1.530 1.00 0.35 H new ATOM 0 HB3 PRO A 325 -3.701 12.703 0.552 1.00 0.35 H new ATOM 0 HG2 PRO A 325 -5.664 10.886 0.903 1.00 0.61 H new ATOM 0 HG3 PRO A 325 -5.504 11.778 -0.597 1.00 0.61 H new ATOM 0 HD2 PRO A 325 -4.621 8.947 0.017 1.00 0.40 H new ATOM 0 HD3 PRO A 325 -5.433 9.555 -1.412 1.00 0.40 H new ATOM 509 N PRO A 326 -0.353 11.248 0.334 1.00 0.22 N ATOM 510 CA PRO A 326 0.865 10.784 0.990 1.00 0.20 C ATOM 511 C PRO A 326 0.711 10.720 2.505 1.00 0.21 C ATOM 512 O PRO A 326 0.379 11.718 3.151 1.00 0.28 O ATOM 513 CB PRO A 326 1.924 11.829 0.609 1.00 0.20 C ATOM 514 CG PRO A 326 1.271 12.767 -0.355 1.00 0.42 C ATOM 515 CD PRO A 326 -0.213 12.610 -0.188 1.00 0.27 C ATOM 0 HA PRO A 326 1.125 9.773 0.677 1.00 0.20 H new ATOM 0 HB2 PRO A 326 2.276 12.363 1.491 1.00 0.20 H new ATOM 0 HB3 PRO A 326 2.794 11.352 0.157 1.00 0.20 H new ATOM 0 HG2 PRO A 326 1.574 13.795 -0.157 1.00 0.42 H new ATOM 0 HG3 PRO A 326 1.570 12.538 -1.378 1.00 0.42 H new ATOM 0 HD2 PRO A 326 -0.620 13.349 0.502 1.00 0.27 H new ATOM 0 HD3 PRO A 326 -0.739 12.734 -1.134 1.00 0.27 H new ATOM 523 N LEU A 327 0.958 9.544 3.066 1.00 0.23 N ATOM 524 CA LEU A 327 0.882 9.351 4.508 1.00 0.25 C ATOM 525 C LEU A 327 2.048 10.053 5.193 1.00 0.25 C ATOM 526 O LEU A 327 3.200 9.904 4.783 1.00 0.32 O ATOM 527 CB LEU A 327 0.901 7.853 4.865 1.00 0.29 C ATOM 528 CG LEU A 327 -0.385 7.060 4.579 1.00 0.35 C ATOM 529 CD1 LEU A 327 -1.575 7.708 5.263 1.00 1.03 C ATOM 530 CD2 LEU A 327 -0.632 6.926 3.084 1.00 0.81 C ATOM 0 H LEU A 327 1.214 8.707 2.543 1.00 0.23 H new ATOM 0 HA LEU A 327 -0.057 9.780 4.857 1.00 0.25 H new ATOM 0 HB2 LEU A 327 1.719 7.383 4.319 1.00 0.29 H new ATOM 0 HB3 LEU A 327 1.130 7.759 5.926 1.00 0.29 H new ATOM 0 HG LEU A 327 -0.256 6.057 4.985 1.00 0.35 H new ATOM 0 HD11 LEU A 327 -2.476 7.132 5.049 1.00 1.03 H new ATOM 0 HD12 LEU A 327 -1.407 7.732 6.340 1.00 1.03 H new ATOM 0 HD13 LEU A 327 -1.698 8.726 4.892 1.00 1.03 H new ATOM 0 HD21 LEU A 327 -1.548 6.360 2.916 1.00 0.81 H new ATOM 0 HD22 LEU A 327 -0.731 7.917 2.641 1.00 0.81 H new ATOM 0 HD23 LEU A 327 0.206 6.404 2.622 1.00 0.81 H new ATOM 542 N ARG A 328 1.745 10.820 6.230 1.00 0.25 N ATOM 543 CA ARG A 328 2.778 11.528 6.973 1.00 0.29 C ATOM 544 C ARG A 328 3.372 10.613 8.036 1.00 0.28 C ATOM 545 O ARG A 328 4.517 10.780 8.453 1.00 0.34 O ATOM 546 CB ARG A 328 2.218 12.805 7.621 1.00 0.38 C ATOM 547 CG ARG A 328 1.098 12.554 8.619 1.00 0.50 C ATOM 548 CD ARG A 328 0.758 13.804 9.423 1.00 0.93 C ATOM 549 NE ARG A 328 0.228 14.887 8.592 1.00 1.56 N ATOM 550 CZ ARG A 328 0.140 16.158 8.992 1.00 2.11 C ATOM 551 NH1 ARG A 328 0.536 16.501 10.210 1.00 2.14 N ATOM 552 NH2 ARG A 328 -0.356 17.083 8.180 1.00 3.15 N ATOM 0 H ARG A 328 0.797 10.968 6.575 1.00 0.25 H new ATOM 0 HA ARG A 328 3.562 11.822 6.275 1.00 0.29 H new ATOM 0 HB2 ARG A 328 3.029 13.329 8.126 1.00 0.38 H new ATOM 0 HB3 ARG A 328 1.850 13.466 6.837 1.00 0.38 H new ATOM 0 HG2 ARG A 328 0.210 12.212 8.088 1.00 0.50 H new ATOM 0 HG3 ARG A 328 1.391 11.754 9.299 1.00 0.50 H new ATOM 0 HD2 ARG A 328 0.026 13.549 10.190 1.00 0.93 H new ATOM 0 HD3 ARG A 328 1.652 14.153 9.939 1.00 0.93 H new ATOM 0 HE ARG A 328 -0.093 14.657 7.652 1.00 1.56 H new ATOM 0 HH11 ARG A 328 0.909 15.794 10.843 1.00 2.14 H new ATOM 0 HH12 ARG A 328 0.468 17.472 10.514 1.00 2.14 H new ATOM 0 HH21 ARG A 328 -0.672 16.825 7.245 1.00 3.15 H new ATOM 0 HH22 ARG A 328 -0.421 18.052 8.491 1.00 3.15 H new ATOM 566 N GLU A 329 2.577 9.644 8.462 1.00 0.26 N ATOM 567 CA GLU A 329 3.004 8.674 9.457 1.00 0.30 C ATOM 568 C GLU A 329 2.478 7.290 9.096 1.00 0.22 C ATOM 569 O GLU A 329 1.514 7.165 8.337 1.00 0.27 O ATOM 570 CB GLU A 329 2.514 9.088 10.846 1.00 0.47 C ATOM 571 CG GLU A 329 1.013 9.314 10.925 1.00 0.71 C ATOM 572 CD GLU A 329 0.552 9.633 12.328 1.00 1.11 C ATOM 573 OE1 GLU A 329 0.698 10.794 12.757 1.00 1.57 O ATOM 574 OE2 GLU A 329 0.045 8.721 13.011 1.00 1.23 O ATOM 0 H GLU A 329 1.622 9.508 8.129 1.00 0.26 H new ATOM 0 HA GLU A 329 4.093 8.640 9.472 1.00 0.30 H new ATOM 0 HB2 GLU A 329 2.794 8.318 11.564 1.00 0.47 H new ATOM 0 HB3 GLU A 329 3.026 10.003 11.144 1.00 0.47 H new ATOM 0 HG2 GLU A 329 0.736 10.132 10.260 1.00 0.71 H new ATOM 0 HG3 GLU A 329 0.495 8.424 10.569 1.00 0.71 H new ATOM 581 N ILE A 330 3.114 6.262 9.642 1.00 0.21 N ATOM 582 CA ILE A 330 2.761 4.884 9.329 1.00 0.19 C ATOM 583 C ILE A 330 1.494 4.451 10.059 1.00 0.20 C ATOM 584 O ILE A 330 1.447 4.416 11.290 1.00 0.27 O ATOM 585 CB ILE A 330 3.921 3.918 9.658 1.00 0.25 C ATOM 586 CG1 ILE A 330 5.095 4.185 8.711 1.00 0.28 C ATOM 587 CG2 ILE A 330 3.468 2.465 9.558 1.00 0.26 C ATOM 588 CD1 ILE A 330 4.728 4.051 7.247 1.00 0.26 C ATOM 0 H ILE A 330 3.881 6.358 10.307 1.00 0.21 H new ATOM 0 HA ILE A 330 2.569 4.840 8.257 1.00 0.19 H new ATOM 0 HB ILE A 330 4.243 4.093 10.684 1.00 0.25 H new ATOM 0 HG12 ILE A 330 5.477 5.190 8.892 1.00 0.28 H new ATOM 0 HG13 ILE A 330 5.903 3.490 8.941 1.00 0.28 H new ATOM 0 HG21 ILE A 330 4.304 1.806 9.794 1.00 0.26 H new ATOM 0 HG22 ILE A 330 2.656 2.288 10.263 1.00 0.26 H new ATOM 0 HG23 ILE A 330 3.121 2.261 8.545 1.00 0.26 H new ATOM 0 HD11 ILE A 330 5.605 4.253 6.632 1.00 0.26 H new ATOM 0 HD12 ILE A 330 4.373 3.039 7.052 1.00 0.26 H new ATOM 0 HD13 ILE A 330 3.941 4.764 7.002 1.00 0.26 H new ATOM 600 N PRO A 331 0.448 4.135 9.285 1.00 0.19 N ATOM 601 CA PRO A 331 -0.839 3.706 9.826 1.00 0.23 C ATOM 602 C PRO A 331 -0.795 2.338 10.488 1.00 0.24 C ATOM 603 O PRO A 331 -0.185 1.394 9.976 1.00 0.29 O ATOM 604 CB PRO A 331 -1.768 3.654 8.618 1.00 0.29 C ATOM 605 CG PRO A 331 -0.898 3.677 7.406 1.00 0.27 C ATOM 606 CD PRO A 331 0.450 4.203 7.816 1.00 0.19 C ATOM 0 HA PRO A 331 -1.162 4.394 10.607 1.00 0.23 H new ATOM 0 HB2 PRO A 331 -2.379 2.752 8.638 1.00 0.29 H new ATOM 0 HB3 PRO A 331 -2.452 4.502 8.619 1.00 0.29 H new ATOM 0 HG2 PRO A 331 -0.805 2.676 6.984 1.00 0.27 H new ATOM 0 HG3 PRO A 331 -1.336 4.309 6.634 1.00 0.27 H new ATOM 0 HD2 PRO A 331 1.255 3.602 7.393 1.00 0.19 H new ATOM 0 HD3 PRO A 331 0.599 5.225 7.467 1.00 0.19 H new ATOM 614 N SER A 332 -1.463 2.241 11.619 1.00 0.34 N ATOM 615 CA SER A 332 -1.593 0.986 12.331 1.00 0.45 C ATOM 616 C SER A 332 -2.905 0.316 11.930 1.00 0.37 C ATOM 617 O SER A 332 -3.989 0.792 12.270 1.00 0.60 O ATOM 618 CB SER A 332 -1.543 1.236 13.843 1.00 0.67 C ATOM 619 OG SER A 332 -1.508 0.022 14.575 1.00 1.66 O ATOM 0 H SER A 332 -1.930 3.028 12.070 1.00 0.34 H new ATOM 0 HA SER A 332 -0.767 0.324 12.071 1.00 0.45 H new ATOM 0 HB2 SER A 332 -0.663 1.832 14.084 1.00 0.67 H new ATOM 0 HB3 SER A 332 -2.414 1.818 14.145 1.00 0.67 H new ATOM 0 HG SER A 332 -1.475 0.219 15.534 1.00 1.66 H new ATOM 625 N GLY A 333 -2.802 -0.777 11.189 1.00 0.41 N ATOM 626 CA GLY A 333 -3.978 -1.421 10.651 1.00 0.34 C ATOM 627 C GLY A 333 -3.733 -1.951 9.257 1.00 0.36 C ATOM 628 O GLY A 333 -2.599 -1.940 8.768 1.00 0.46 O ATOM 0 H GLY A 333 -1.920 -1.230 10.951 1.00 0.41 H new ATOM 0 HA2 GLY A 333 -4.276 -2.240 11.305 1.00 0.34 H new ATOM 0 HA3 GLY A 333 -4.805 -0.711 10.631 1.00 0.34 H new ATOM 632 N THR A 334 -4.794 -2.389 8.608 1.00 0.33 N ATOM 633 CA THR A 334 -4.695 -2.908 7.257 1.00 0.34 C ATOM 634 C THR A 334 -4.661 -1.777 6.239 1.00 0.29 C ATOM 635 O THR A 334 -5.688 -1.174 5.921 1.00 0.35 O ATOM 636 CB THR A 334 -5.857 -3.862 6.928 1.00 0.41 C ATOM 637 OG1 THR A 334 -7.104 -3.314 7.385 1.00 0.58 O ATOM 638 CG2 THR A 334 -5.634 -5.225 7.560 1.00 0.48 C ATOM 0 H THR A 334 -5.738 -2.396 8.995 1.00 0.33 H new ATOM 0 HA THR A 334 -3.762 -3.468 7.200 1.00 0.34 H new ATOM 0 HB THR A 334 -5.896 -3.981 5.845 1.00 0.41 H new ATOM 0 HG1 THR A 334 -7.173 -2.378 7.103 1.00 0.58 H new ATOM 0 HG21 THR A 334 -6.468 -5.881 7.313 1.00 0.48 H new ATOM 0 HG22 THR A 334 -4.708 -5.656 7.179 1.00 0.48 H new ATOM 0 HG23 THR A 334 -5.565 -5.117 8.642 1.00 0.48 H new ATOM 646 N TRP A 335 -3.473 -1.484 5.739 1.00 0.23 N ATOM 647 CA TRP A 335 -3.320 -0.429 4.755 1.00 0.20 C ATOM 648 C TRP A 335 -3.584 -0.985 3.366 1.00 0.17 C ATOM 649 O TRP A 335 -3.213 -2.119 3.056 1.00 0.18 O ATOM 650 CB TRP A 335 -1.925 0.205 4.819 1.00 0.21 C ATOM 651 CG TRP A 335 -1.776 1.337 3.848 1.00 0.20 C ATOM 652 CD1 TRP A 335 -2.140 2.639 4.039 1.00 0.23 C ATOM 653 CD2 TRP A 335 -1.253 1.258 2.518 1.00 0.20 C ATOM 654 NE1 TRP A 335 -1.887 3.370 2.902 1.00 0.24 N ATOM 655 CE2 TRP A 335 -1.339 2.543 1.957 1.00 0.23 C ATOM 656 CE3 TRP A 335 -0.724 0.220 1.748 1.00 0.21 C ATOM 657 CZ2 TRP A 335 -0.917 2.813 0.657 1.00 0.27 C ATOM 658 CZ3 TRP A 335 -0.303 0.494 0.463 1.00 0.26 C ATOM 659 CH2 TRP A 335 -0.404 1.781 -0.069 1.00 0.29 C ATOM 0 H TRP A 335 -2.607 -1.958 5.996 1.00 0.23 H new ATOM 0 HA TRP A 335 -4.045 0.353 4.979 1.00 0.20 H new ATOM 0 HB2 TRP A 335 -1.738 0.568 5.830 1.00 0.21 H new ATOM 0 HB3 TRP A 335 -1.172 -0.554 4.608 1.00 0.21 H new ATOM 0 HD1 TRP A 335 -2.564 3.036 4.949 1.00 0.23 H new ATOM 0 HE1 TRP A 335 -2.076 4.365 2.782 1.00 0.24 H new ATOM 0 HE3 TRP A 335 -0.646 -0.779 2.151 1.00 0.21 H new ATOM 0 HZ2 TRP A 335 -0.994 3.806 0.239 1.00 0.27 H new ATOM 0 HZ3 TRP A 335 0.111 -0.300 -0.141 1.00 0.26 H new ATOM 0 HH2 TRP A 335 -0.068 1.962 -1.079 1.00 0.29 H new ATOM 670 N ARG A 336 -4.224 -0.181 2.536 1.00 0.18 N ATOM 671 CA ARG A 336 -4.638 -0.604 1.213 1.00 0.19 C ATOM 672 C ARG A 336 -4.113 0.344 0.145 1.00 0.21 C ATOM 673 O ARG A 336 -4.141 1.561 0.319 1.00 0.27 O ATOM 674 CB ARG A 336 -6.150 -0.631 1.159 1.00 0.28 C ATOM 675 CG ARG A 336 -6.767 -1.702 2.022 1.00 0.43 C ATOM 676 CD ARG A 336 -8.125 -1.265 2.504 1.00 0.63 C ATOM 677 NE ARG A 336 -8.033 -0.257 3.560 1.00 1.09 N ATOM 678 CZ ARG A 336 -8.942 -0.110 4.517 1.00 1.55 C ATOM 679 NH1 ARG A 336 -10.044 -0.852 4.498 1.00 1.85 N ATOM 680 NH2 ARG A 336 -8.762 0.781 5.485 1.00 1.99 N ATOM 0 H ARG A 336 -4.471 0.783 2.761 1.00 0.18 H new ATOM 0 HA ARG A 336 -4.230 -1.596 1.019 1.00 0.19 H new ATOM 0 HB2 ARG A 336 -6.533 0.340 1.471 1.00 0.28 H new ATOM 0 HB3 ARG A 336 -6.465 -0.782 0.127 1.00 0.28 H new ATOM 0 HG2 ARG A 336 -6.855 -2.629 1.456 1.00 0.43 H new ATOM 0 HG3 ARG A 336 -6.120 -1.910 2.874 1.00 0.43 H new ATOM 0 HD2 ARG A 336 -8.695 -0.862 1.667 1.00 0.63 H new ATOM 0 HD3 ARG A 336 -8.674 -2.130 2.876 1.00 0.63 H new ATOM 0 HE ARG A 336 -7.226 0.367 3.561 1.00 1.09 H new ATOM 0 HH11 ARG A 336 -10.189 -1.531 3.751 1.00 1.85 H new ATOM 0 HH12 ARG A 336 -10.745 -0.743 5.231 1.00 1.85 H new ATOM 0 HH21 ARG A 336 -7.921 1.358 5.497 1.00 1.99 H new ATOM 0 HH22 ARG A 336 -9.465 0.888 6.217 1.00 1.99 H new ATOM 694 N CYS A 337 -3.636 -0.217 -0.957 1.00 0.24 N ATOM 695 CA CYS A 337 -3.213 0.584 -2.100 1.00 0.32 C ATOM 696 C CYS A 337 -4.434 1.149 -2.831 1.00 0.40 C ATOM 697 O CYS A 337 -5.570 0.784 -2.512 1.00 0.37 O ATOM 698 CB CYS A 337 -2.369 -0.263 -3.054 1.00 0.37 C ATOM 699 SG CYS A 337 -3.200 -1.780 -3.624 1.00 0.63 S ATOM 0 H CYS A 337 -3.532 -1.224 -1.085 1.00 0.24 H new ATOM 0 HA CYS A 337 -2.606 1.415 -1.741 1.00 0.32 H new ATOM 0 HB2 CYS A 337 -2.102 0.341 -3.921 1.00 0.37 H new ATOM 0 HB3 CYS A 337 -1.438 -0.535 -2.556 1.00 0.37 H new ATOM 704 N SER A 338 -4.202 2.017 -3.809 1.00 0.53 N ATOM 705 CA SER A 338 -5.282 2.696 -4.519 1.00 0.63 C ATOM 706 C SER A 338 -6.294 1.705 -5.105 1.00 0.62 C ATOM 707 O SER A 338 -7.505 1.913 -4.994 1.00 0.63 O ATOM 708 CB SER A 338 -4.695 3.564 -5.632 1.00 0.81 C ATOM 709 OG SER A 338 -3.594 4.320 -5.153 1.00 1.47 O ATOM 0 H SER A 338 -3.268 2.269 -4.131 1.00 0.53 H new ATOM 0 HA SER A 338 -5.815 3.321 -3.802 1.00 0.63 H new ATOM 0 HB2 SER A 338 -4.375 2.933 -6.461 1.00 0.81 H new ATOM 0 HB3 SER A 338 -5.462 4.235 -6.019 1.00 0.81 H new ATOM 0 HG SER A 338 -3.232 4.867 -5.881 1.00 1.47 H new ATOM 715 N SER A 339 -5.792 0.632 -5.710 1.00 0.64 N ATOM 716 CA SER A 339 -6.644 -0.385 -6.321 1.00 0.69 C ATOM 717 C SER A 339 -7.636 -0.956 -5.310 1.00 0.59 C ATOM 718 O SER A 339 -8.833 -1.036 -5.580 1.00 0.63 O ATOM 719 CB SER A 339 -5.789 -1.512 -6.905 1.00 0.79 C ATOM 720 OG SER A 339 -6.598 -2.486 -7.545 1.00 1.67 O ATOM 0 H SER A 339 -4.793 0.443 -5.791 1.00 0.64 H new ATOM 0 HA SER A 339 -7.209 0.090 -7.123 1.00 0.69 H new ATOM 0 HB2 SER A 339 -5.077 -1.100 -7.620 1.00 0.79 H new ATOM 0 HB3 SER A 339 -5.208 -1.981 -6.111 1.00 0.79 H new ATOM 0 HG SER A 339 -6.029 -3.195 -7.911 1.00 1.67 H new ATOM 726 N CYS A 340 -7.132 -1.325 -4.139 1.00 0.51 N ATOM 727 CA CYS A 340 -7.957 -1.916 -3.094 1.00 0.48 C ATOM 728 C CYS A 340 -9.039 -0.943 -2.635 1.00 0.48 C ATOM 729 O CYS A 340 -10.185 -1.336 -2.411 1.00 0.57 O ATOM 730 CB CYS A 340 -7.091 -2.332 -1.908 1.00 0.45 C ATOM 731 SG CYS A 340 -5.903 -3.659 -2.281 1.00 0.55 S ATOM 0 H CYS A 340 -6.148 -1.224 -3.889 1.00 0.51 H new ATOM 0 HA CYS A 340 -8.444 -2.799 -3.507 1.00 0.48 H new ATOM 0 HB2 CYS A 340 -6.544 -1.460 -1.549 1.00 0.45 H new ATOM 0 HB3 CYS A 340 -7.740 -2.658 -1.095 1.00 0.45 H new ATOM 736 N LEU A 341 -8.664 0.325 -2.492 1.00 0.48 N ATOM 737 CA LEU A 341 -9.594 1.350 -2.034 1.00 0.59 C ATOM 738 C LEU A 341 -10.663 1.627 -3.087 1.00 0.69 C ATOM 739 O LEU A 341 -11.839 1.785 -2.763 1.00 0.85 O ATOM 740 CB LEU A 341 -8.846 2.644 -1.706 1.00 0.66 C ATOM 741 CG LEU A 341 -7.769 2.522 -0.626 1.00 0.62 C ATOM 742 CD1 LEU A 341 -7.100 3.865 -0.390 1.00 0.78 C ATOM 743 CD2 LEU A 341 -8.365 1.986 0.670 1.00 0.65 C ATOM 0 H LEU A 341 -7.723 0.666 -2.687 1.00 0.48 H new ATOM 0 HA LEU A 341 -10.081 0.980 -1.132 1.00 0.59 H new ATOM 0 HB2 LEU A 341 -8.381 3.017 -2.619 1.00 0.66 H new ATOM 0 HB3 LEU A 341 -9.572 3.393 -1.389 1.00 0.66 H new ATOM 0 HG LEU A 341 -7.014 1.816 -0.972 1.00 0.62 H new ATOM 0 HD11 LEU A 341 -6.337 3.761 0.381 1.00 0.78 H new ATOM 0 HD12 LEU A 341 -6.637 4.208 -1.315 1.00 0.78 H new ATOM 0 HD13 LEU A 341 -7.846 4.591 -0.066 1.00 0.78 H new ATOM 0 HD21 LEU A 341 -7.583 1.907 1.425 1.00 0.65 H new ATOM 0 HD22 LEU A 341 -9.141 2.665 1.022 1.00 0.65 H new ATOM 0 HD23 LEU A 341 -8.798 1.002 0.492 1.00 0.65 H new ATOM 755 N GLN A 342 -10.251 1.665 -4.349 1.00 0.68 N ATOM 756 CA GLN A 342 -11.159 2.006 -5.433 1.00 0.81 C ATOM 757 C GLN A 342 -12.088 0.840 -5.759 1.00 0.87 C ATOM 758 O GLN A 342 -13.187 1.039 -6.269 1.00 1.05 O ATOM 759 CB GLN A 342 -10.364 2.416 -6.675 1.00 0.92 C ATOM 760 CG GLN A 342 -11.210 3.087 -7.741 1.00 1.13 C ATOM 761 CD GLN A 342 -10.393 3.595 -8.915 1.00 1.37 C ATOM 762 OE1 GLN A 342 -10.732 4.612 -9.524 1.00 1.79 O ATOM 763 NE2 GLN A 342 -9.335 2.881 -9.265 1.00 1.93 N ATOM 0 H GLN A 342 -9.296 1.464 -4.644 1.00 0.68 H new ATOM 0 HA GLN A 342 -11.774 2.846 -5.111 1.00 0.81 H new ATOM 0 HB2 GLN A 342 -9.564 3.094 -6.377 1.00 0.92 H new ATOM 0 HB3 GLN A 342 -9.890 1.532 -7.102 1.00 0.92 H new ATOM 0 HG2 GLN A 342 -11.956 2.379 -8.104 1.00 1.13 H new ATOM 0 HG3 GLN A 342 -11.752 3.921 -7.295 1.00 1.13 H new ATOM 0 HE21 GLN A 342 -9.086 2.045 -8.736 1.00 1.93 H new ATOM 0 HE22 GLN A 342 -8.768 3.167 -10.064 1.00 1.93 H new ATOM 772 N ALA A 343 -11.662 -0.371 -5.414 1.00 0.84 N ATOM 773 CA ALA A 343 -12.428 -1.578 -5.725 1.00 1.01 C ATOM 774 C ALA A 343 -13.558 -1.799 -4.722 1.00 1.11 C ATOM 775 O ALA A 343 -14.070 -2.913 -4.573 1.00 1.31 O ATOM 776 CB ALA A 343 -11.511 -2.791 -5.762 1.00 1.06 C ATOM 0 H ALA A 343 -10.788 -0.545 -4.917 1.00 0.84 H new ATOM 0 HA ALA A 343 -12.878 -1.442 -6.708 1.00 1.01 H new ATOM 0 HB1 ALA A 343 -12.095 -3.682 -5.994 1.00 1.06 H new ATOM 0 HB2 ALA A 343 -10.748 -2.647 -6.527 1.00 1.06 H new ATOM 0 HB3 ALA A 343 -11.032 -2.915 -4.791 1.00 1.06 H new ATOM 782 N THR A 344 -13.927 -0.740 -4.024 1.00 1.11 N ATOM 783 CA THR A 344 -15.046 -0.777 -3.105 1.00 1.35 C ATOM 784 C THR A 344 -16.354 -0.530 -3.849 1.00 1.98 C ATOM 785 O THR A 344 -16.400 -0.630 -5.075 1.00 2.69 O ATOM 786 CB THR A 344 -14.866 0.267 -1.986 1.00 1.92 C ATOM 787 OG1 THR A 344 -14.498 1.536 -2.551 1.00 2.52 O ATOM 788 CG2 THR A 344 -13.803 -0.182 -0.994 1.00 2.43 C ATOM 0 H THR A 344 -13.461 0.165 -4.079 1.00 1.11 H new ATOM 0 HA THR A 344 -15.082 -1.767 -2.651 1.00 1.35 H new ATOM 0 HB THR A 344 -15.814 0.368 -1.457 1.00 1.92 H new ATOM 0 HG1 THR A 344 -13.548 1.706 -2.383 1.00 2.52 H new ATOM 0 HG21 THR A 344 -13.693 0.570 -0.213 1.00 2.43 H new ATOM 0 HG22 THR A 344 -14.101 -1.130 -0.545 1.00 2.43 H new ATOM 0 HG23 THR A 344 -12.852 -0.309 -1.512 1.00 2.43 H new ATOM 796 N VAL A 345 -17.413 -0.214 -3.119 1.00 2.46 N ATOM 797 CA VAL A 345 -18.703 0.091 -3.738 1.00 3.48 C ATOM 798 C VAL A 345 -18.580 1.306 -4.665 1.00 3.77 C ATOM 799 O VAL A 345 -19.391 1.500 -5.574 1.00 4.41 O ATOM 800 CB VAL A 345 -19.792 0.353 -2.673 1.00 4.43 C ATOM 801 CG1 VAL A 345 -21.166 0.501 -3.312 1.00 5.52 C ATOM 802 CG2 VAL A 345 -19.807 -0.764 -1.640 1.00 4.61 C ATOM 0 H VAL A 345 -17.409 -0.161 -2.100 1.00 2.46 H new ATOM 0 HA VAL A 345 -19.000 -0.779 -4.324 1.00 3.48 H new ATOM 0 HB VAL A 345 -19.550 1.291 -2.173 1.00 4.43 H new ATOM 0 HG11 VAL A 345 -21.910 0.684 -2.537 1.00 5.52 H new ATOM 0 HG12 VAL A 345 -21.155 1.339 -4.009 1.00 5.52 H new ATOM 0 HG13 VAL A 345 -21.418 -0.414 -3.848 1.00 5.52 H new ATOM 0 HG21 VAL A 345 -20.580 -0.563 -0.898 1.00 4.61 H new ATOM 0 HG22 VAL A 345 -20.016 -1.713 -2.133 1.00 4.61 H new ATOM 0 HG23 VAL A 345 -18.836 -0.817 -1.147 1.00 4.61 H new ATOM 812 N GLN A 346 -17.543 2.109 -4.432 1.00 3.72 N ATOM 813 CA GLN A 346 -17.254 3.268 -5.273 1.00 4.43 C ATOM 814 C GLN A 346 -17.094 2.846 -6.731 1.00 4.64 C ATOM 815 O GLN A 346 -17.739 3.399 -7.623 1.00 4.85 O ATOM 816 CB GLN A 346 -15.979 3.967 -4.797 1.00 4.92 C ATOM 817 CG GLN A 346 -16.080 4.547 -3.396 1.00 5.36 C ATOM 818 CD GLN A 346 -17.095 5.669 -3.289 1.00 6.22 C ATOM 819 OE1 GLN A 346 -17.367 6.377 -4.261 1.00 6.73 O ATOM 820 NE2 GLN A 346 -17.653 5.849 -2.104 1.00 6.73 N ATOM 0 H GLN A 346 -16.886 1.976 -3.663 1.00 3.72 H new ATOM 0 HA GLN A 346 -18.091 3.961 -5.196 1.00 4.43 H new ATOM 0 HB2 GLN A 346 -15.154 3.255 -4.826 1.00 4.92 H new ATOM 0 HB3 GLN A 346 -15.734 4.768 -5.494 1.00 4.92 H new ATOM 0 HG2 GLN A 346 -16.350 3.753 -2.699 1.00 5.36 H new ATOM 0 HG3 GLN A 346 -15.102 4.920 -3.092 1.00 5.36 H new ATOM 0 HE21 GLN A 346 -17.401 5.242 -1.324 1.00 6.73 H new ATOM 0 HE22 GLN A 346 -18.335 6.595 -1.970 1.00 6.73 H new ATOM 829 N GLU A 347 -16.236 1.863 -6.963 1.00 5.05 N ATOM 830 CA GLU A 347 -16.035 1.322 -8.295 1.00 5.69 C ATOM 831 C GLU A 347 -15.950 -0.197 -8.230 1.00 6.30 C ATOM 832 O GLU A 347 -14.940 -0.765 -7.815 1.00 6.66 O ATOM 833 CB GLU A 347 -14.776 1.912 -8.930 1.00 6.27 C ATOM 834 CG GLU A 347 -14.546 1.451 -10.356 1.00 6.68 C ATOM 835 CD GLU A 347 -13.446 2.227 -11.048 1.00 7.28 C ATOM 836 OE1 GLU A 347 -13.725 3.304 -11.608 1.00 7.60 O ATOM 837 OE2 GLU A 347 -12.287 1.763 -11.018 1.00 7.68 O ATOM 0 H GLU A 347 -15.666 1.423 -6.240 1.00 5.05 H new ATOM 0 HA GLU A 347 -16.885 1.596 -8.920 1.00 5.69 H new ATOM 0 HB2 GLU A 347 -14.846 3.000 -8.915 1.00 6.27 H new ATOM 0 HB3 GLU A 347 -13.911 1.640 -8.325 1.00 6.27 H new ATOM 0 HG2 GLU A 347 -14.292 0.391 -10.355 1.00 6.68 H new ATOM 0 HG3 GLU A 347 -15.472 1.557 -10.922 1.00 6.68 H new ATOM 844 N VAL A 348 -17.020 -0.851 -8.658 1.00 6.79 N ATOM 845 CA VAL A 348 -17.121 -2.303 -8.561 1.00 7.69 C ATOM 846 C VAL A 348 -16.532 -2.956 -9.810 1.00 8.41 C ATOM 847 O VAL A 348 -16.774 -4.128 -10.108 1.00 9.19 O ATOM 848 CB VAL A 348 -18.584 -2.751 -8.359 1.00 8.24 C ATOM 849 CG1 VAL A 348 -18.652 -4.177 -7.833 1.00 8.98 C ATOM 850 CG2 VAL A 348 -19.312 -1.803 -7.420 1.00 8.51 C ATOM 0 H VAL A 348 -17.833 -0.400 -9.077 1.00 6.79 H new ATOM 0 HA VAL A 348 -16.550 -2.624 -7.690 1.00 7.69 H new ATOM 0 HB VAL A 348 -19.079 -2.724 -9.330 1.00 8.24 H new ATOM 0 HG11 VAL A 348 -19.694 -4.466 -7.700 1.00 8.98 H new ATOM 0 HG12 VAL A 348 -18.176 -4.851 -8.546 1.00 8.98 H new ATOM 0 HG13 VAL A 348 -18.134 -4.237 -6.876 1.00 8.98 H new ATOM 0 HG21 VAL A 348 -20.341 -2.137 -7.292 1.00 8.51 H new ATOM 0 HG22 VAL A 348 -18.810 -1.793 -6.452 1.00 8.51 H new ATOM 0 HG23 VAL A 348 -19.307 -0.798 -7.842 1.00 8.51 H new ATOM 860 N GLN A 349 -15.760 -2.171 -10.538 1.00 8.35 N ATOM 861 CA GLN A 349 -15.026 -2.647 -11.699 1.00 9.25 C ATOM 862 C GLN A 349 -13.805 -1.759 -11.925 1.00 9.81 C ATOM 863 O GLN A 349 -13.801 -0.872 -12.784 1.00 9.85 O ATOM 864 CB GLN A 349 -15.929 -2.699 -12.942 1.00 9.50 C ATOM 865 CG GLN A 349 -16.678 -1.406 -13.233 1.00 9.64 C ATOM 866 CD GLN A 349 -17.667 -1.556 -14.372 1.00 10.09 C ATOM 867 OE1 GLN A 349 -18.831 -1.896 -14.154 1.00 10.30 O ATOM 868 NE2 GLN A 349 -17.220 -1.304 -15.591 1.00 10.48 N ATOM 0 H GLN A 349 -15.623 -1.180 -10.341 1.00 8.35 H new ATOM 0 HA GLN A 349 -14.685 -3.666 -11.515 1.00 9.25 H new ATOM 0 HB2 GLN A 349 -15.319 -2.953 -13.809 1.00 9.50 H new ATOM 0 HB3 GLN A 349 -16.654 -3.503 -12.816 1.00 9.50 H new ATOM 0 HG2 GLN A 349 -17.207 -1.086 -12.335 1.00 9.64 H new ATOM 0 HG3 GLN A 349 -15.962 -0.622 -13.478 1.00 9.64 H new ATOM 0 HE21 GLN A 349 -16.249 -1.025 -15.731 1.00 10.48 H new ATOM 0 HE22 GLN A 349 -17.846 -1.389 -16.392 1.00 10.48 H new ATOM 877 N PRO A 350 -12.754 -1.989 -11.125 1.00 10.46 N ATOM 878 CA PRO A 350 -11.550 -1.159 -11.129 1.00 11.22 C ATOM 879 C PRO A 350 -10.791 -1.257 -12.445 1.00 12.02 C ATOM 880 O PRO A 350 -10.400 -2.345 -12.872 1.00 12.51 O ATOM 881 CB PRO A 350 -10.712 -1.717 -9.978 1.00 11.80 C ATOM 882 CG PRO A 350 -11.208 -3.104 -9.770 1.00 11.63 C ATOM 883 CD PRO A 350 -12.657 -3.100 -10.163 1.00 10.74 C ATOM 0 HA PRO A 350 -11.787 -0.101 -11.013 1.00 11.22 H new ATOM 0 HB2 PRO A 350 -9.650 -1.712 -10.225 1.00 11.80 H new ATOM 0 HB3 PRO A 350 -10.832 -1.117 -9.076 1.00 11.80 H new ATOM 0 HG2 PRO A 350 -10.643 -3.813 -10.375 1.00 11.63 H new ATOM 0 HG3 PRO A 350 -11.089 -3.407 -8.730 1.00 11.63 H new ATOM 0 HD2 PRO A 350 -12.952 -4.047 -10.614 1.00 10.74 H new ATOM 0 HD3 PRO A 350 -13.305 -2.941 -9.301 1.00 10.74 H new ATOM 891 N ARG A 351 -10.573 -0.115 -13.080 1.00 12.32 N ATOM 892 CA ARG A 351 -9.937 -0.082 -14.388 1.00 13.21 C ATOM 893 C ARG A 351 -8.550 0.544 -14.320 1.00 14.01 C ATOM 894 O ARG A 351 -8.100 1.192 -15.266 1.00 14.62 O ATOM 895 CB ARG A 351 -10.811 0.663 -15.389 1.00 13.33 C ATOM 896 CG ARG A 351 -12.075 -0.095 -15.748 1.00 13.46 C ATOM 897 CD ARG A 351 -11.778 -1.375 -16.517 1.00 13.60 C ATOM 898 NE ARG A 351 -11.355 -2.467 -15.639 1.00 14.02 N ATOM 899 CZ ARG A 351 -10.542 -3.462 -16.002 1.00 14.33 C ATOM 900 NH1 ARG A 351 -9.988 -3.483 -17.210 1.00 14.26 N ATOM 901 NH2 ARG A 351 -10.270 -4.430 -15.140 1.00 14.87 N ATOM 0 H ARG A 351 -10.827 0.801 -12.710 1.00 12.32 H new ATOM 0 HA ARG A 351 -9.819 -1.112 -14.725 1.00 13.21 H new ATOM 0 HB2 ARG A 351 -11.081 1.635 -14.975 1.00 13.33 H new ATOM 0 HB3 ARG A 351 -10.236 0.851 -16.296 1.00 13.33 H new ATOM 0 HG2 ARG A 351 -12.622 -0.339 -14.837 1.00 13.46 H new ATOM 0 HG3 ARG A 351 -12.723 0.545 -16.347 1.00 13.46 H new ATOM 0 HD2 ARG A 351 -12.668 -1.679 -17.068 1.00 13.60 H new ATOM 0 HD3 ARG A 351 -10.998 -1.181 -17.253 1.00 13.60 H new ATOM 0 HE ARG A 351 -11.706 -2.468 -14.681 1.00 14.02 H new ATOM 0 HH11 ARG A 351 -10.182 -2.733 -17.873 1.00 14.26 H new ATOM 0 HH12 ARG A 351 -9.369 -4.249 -17.474 1.00 14.26 H new ATOM 0 HH21 ARG A 351 -10.681 -4.412 -14.206 1.00 14.87 H new ATOM 0 HH22 ARG A 351 -9.650 -5.194 -15.410 1.00 14.87 H new ATOM 915 N ALA A 352 -7.877 0.356 -13.196 1.00 14.16 N ATOM 916 CA ALA A 352 -6.508 0.815 -13.055 1.00 15.05 C ATOM 917 C ALA A 352 -5.575 -0.135 -13.793 1.00 15.58 C ATOM 918 O ALA A 352 -5.868 -1.326 -13.915 1.00 15.81 O ATOM 919 CB ALA A 352 -6.122 0.926 -11.588 1.00 15.21 C ATOM 0 H ALA A 352 -8.256 -0.110 -12.372 1.00 14.16 H new ATOM 0 HA ALA A 352 -6.420 1.809 -13.493 1.00 15.05 H new ATOM 0 HB1 ALA A 352 -5.091 1.272 -11.508 1.00 15.21 H new ATOM 0 HB2 ALA A 352 -6.783 1.636 -11.091 1.00 15.21 H new ATOM 0 HB3 ALA A 352 -6.215 -0.050 -11.112 1.00 15.21 H new ATOM 925 N GLU A 353 -4.470 0.406 -14.304 1.00 15.90 N ATOM 926 CA GLU A 353 -3.498 -0.369 -15.076 1.00 16.56 C ATOM 927 C GLU A 353 -4.107 -0.919 -16.368 1.00 17.16 C ATOM 928 O GLU A 353 -3.557 -1.831 -16.985 1.00 17.69 O ATOM 929 CB GLU A 353 -2.913 -1.495 -14.216 1.00 16.64 C ATOM 930 CG GLU A 353 -1.998 -0.979 -13.119 1.00 17.13 C ATOM 931 CD GLU A 353 -1.762 -1.988 -12.015 1.00 17.09 C ATOM 932 OE1 GLU A 353 -1.206 -3.068 -12.310 1.00 17.07 O ATOM 933 OE2 GLU A 353 -2.134 -1.718 -10.853 1.00 17.21 O ATOM 0 H GLU A 353 -4.223 1.390 -14.196 1.00 15.90 H new ATOM 0 HA GLU A 353 -2.689 0.302 -15.367 1.00 16.56 H new ATOM 0 HB2 GLU A 353 -3.727 -2.064 -13.767 1.00 16.64 H new ATOM 0 HB3 GLU A 353 -2.357 -2.183 -14.854 1.00 16.64 H new ATOM 0 HG2 GLU A 353 -1.040 -0.698 -13.556 1.00 17.13 H new ATOM 0 HG3 GLU A 353 -2.430 -0.075 -12.690 1.00 17.13 H new ATOM 940 N GLU A 354 -5.245 -0.356 -16.767 1.00 17.19 N ATOM 941 CA GLU A 354 -5.865 -0.688 -18.042 1.00 17.88 C ATOM 942 C GLU A 354 -5.459 0.344 -19.089 1.00 18.30 C ATOM 943 O GLU A 354 -4.419 0.141 -19.750 1.00 18.38 O ATOM 944 CB GLU A 354 -7.396 -0.732 -17.912 1.00 17.97 C ATOM 945 CG GLU A 354 -8.111 -1.047 -19.222 1.00 18.18 C ATOM 946 CD GLU A 354 -9.612 -0.859 -19.133 1.00 18.58 C ATOM 947 OE1 GLU A 354 -10.065 0.288 -18.925 1.00 18.79 O ATOM 948 OE2 GLU A 354 -10.348 -1.854 -19.281 1.00 18.81 O ATOM 949 OXT GLU A 354 -6.165 1.365 -19.231 1.00 18.67 O ATOM 0 H GLU A 354 -5.757 0.336 -16.220 1.00 17.19 H new ATOM 0 HA GLU A 354 -5.522 -1.676 -18.351 1.00 17.88 H new ATOM 0 HB2 GLU A 354 -7.668 -1.483 -17.170 1.00 17.97 H new ATOM 0 HB3 GLU A 354 -7.748 0.229 -17.537 1.00 17.97 H new ATOM 0 HG2 GLU A 354 -7.715 -0.406 -20.010 1.00 18.18 H new ATOM 0 HG3 GLU A 354 -7.895 -2.076 -19.510 1.00 18.18 H new TER 956 GLU A 354 ATOM 957 N ALA B 1 0.114 -1.377 8.788 1.00 0.29 N ATOM 958 CA ALA B 1 0.791 -1.153 7.494 1.00 0.21 C ATOM 959 C ALA B 1 2.099 -1.930 7.453 1.00 0.20 C ATOM 960 O ALA B 1 2.832 -1.977 8.440 1.00 0.28 O ATOM 961 CB ALA B 1 1.033 0.333 7.272 1.00 0.21 C ATOM 0 H1 ALA B 1 -0.819 -1.805 8.622 1.00 0.29 H new ATOM 0 H2 ALA B 1 0.689 -2.015 9.374 1.00 0.29 H new ATOM 0 H3 ALA B 1 -0.005 -0.468 9.280 1.00 0.29 H new ATOM 0 HA ALA B 1 0.150 -1.513 6.689 1.00 0.21 H new ATOM 0 HB1 ALA B 1 1.532 0.481 6.315 1.00 0.21 H new ATOM 0 HB2 ALA B 1 0.079 0.861 7.269 1.00 0.21 H new ATOM 0 HB3 ALA B 1 1.661 0.723 8.073 1.00 0.21 H new ATOM 969 N ARG B 2 2.389 -2.538 6.311 1.00 0.18 N ATOM 970 CA ARG B 2 3.542 -3.416 6.188 1.00 0.19 C ATOM 971 C ARG B 2 4.785 -2.608 5.820 1.00 0.23 C ATOM 972 O ARG B 2 5.249 -2.643 4.682 1.00 0.61 O ATOM 973 CB ARG B 2 3.252 -4.482 5.130 1.00 0.21 C ATOM 974 CG ARG B 2 4.153 -5.702 5.200 1.00 0.24 C ATOM 975 CD ARG B 2 3.726 -6.765 4.201 1.00 0.33 C ATOM 976 NE ARG B 2 2.268 -6.853 4.040 1.00 0.32 N ATOM 977 CZ ARG B 2 1.448 -7.509 4.873 1.00 0.44 C ATOM 978 NH1 ARG B 2 1.899 -7.997 6.024 1.00 0.54 N ATOM 979 NH2 ARG B 2 0.163 -7.637 4.572 1.00 0.69 N ATOM 0 H ARG B 2 1.841 -2.439 5.457 1.00 0.18 H new ATOM 0 HA ARG B 2 3.732 -3.907 7.143 1.00 0.19 H new ATOM 0 HB2 ARG B 2 2.216 -4.805 5.233 1.00 0.21 H new ATOM 0 HB3 ARG B 2 3.349 -4.031 4.142 1.00 0.21 H new ATOM 0 HG2 ARG B 2 5.183 -5.407 5.002 1.00 0.24 H new ATOM 0 HG3 ARG B 2 4.129 -6.117 6.208 1.00 0.24 H new ATOM 0 HD2 ARG B 2 4.180 -6.549 3.234 1.00 0.33 H new ATOM 0 HD3 ARG B 2 4.109 -7.733 4.524 1.00 0.33 H new ATOM 0 HE ARG B 2 1.850 -6.382 3.238 1.00 0.32 H new ATOM 0 HH11 ARG B 2 2.878 -7.874 6.281 1.00 0.54 H new ATOM 0 HH12 ARG B 2 1.266 -8.494 6.650 1.00 0.54 H new ATOM 0 HH21 ARG B 2 -0.201 -7.236 3.707 1.00 0.69 H new ATOM 0 HH22 ARG B 2 -0.462 -8.136 5.205 1.00 0.69 H new ATOM 993 N THR B 3 5.304 -1.870 6.789 1.00 0.29 N ATOM 994 CA THR B 3 6.449 -0.999 6.569 1.00 0.30 C ATOM 995 C THR B 3 7.738 -1.801 6.379 1.00 0.31 C ATOM 996 O THR B 3 7.934 -2.848 7.003 1.00 0.38 O ATOM 997 CB THR B 3 6.615 -0.035 7.755 1.00 0.33 C ATOM 998 OG1 THR B 3 5.344 0.160 8.392 1.00 0.95 O ATOM 999 CG2 THR B 3 7.157 1.311 7.291 1.00 0.70 C ATOM 0 H THR B 3 4.947 -1.857 7.744 1.00 0.29 H new ATOM 0 HA THR B 3 6.262 -0.433 5.657 1.00 0.30 H new ATOM 0 HB THR B 3 7.324 -0.471 8.458 1.00 0.33 H new ATOM 0 HG1 THR B 3 5.398 -0.132 9.326 1.00 0.95 H new ATOM 0 HG21 THR B 3 7.265 1.975 8.149 1.00 0.70 H new ATOM 0 HG22 THR B 3 8.128 1.168 6.818 1.00 0.70 H new ATOM 0 HG23 THR B 3 6.466 1.754 6.574 1.00 0.70 H new ATOM 1007 N LYS B 4 8.608 -1.307 5.509 1.00 0.28 N ATOM 1008 CA LYS B 4 9.877 -1.960 5.224 1.00 0.30 C ATOM 1009 C LYS B 4 10.999 -0.932 5.189 1.00 0.34 C ATOM 1010 O LYS B 4 10.749 0.267 5.056 1.00 0.37 O ATOM 1011 CB LYS B 4 9.824 -2.686 3.876 1.00 0.30 C ATOM 1012 CG LYS B 4 8.703 -3.704 3.754 1.00 0.34 C ATOM 1013 CD LYS B 4 8.728 -4.393 2.400 1.00 0.40 C ATOM 1014 CE LYS B 4 10.062 -5.080 2.155 1.00 0.54 C ATOM 1015 NZ LYS B 4 10.038 -5.912 0.927 1.00 0.75 N ATOM 0 H LYS B 4 8.455 -0.446 4.983 1.00 0.28 H new ATOM 0 HA LYS B 4 10.066 -2.687 6.014 1.00 0.30 H new ATOM 0 HB2 LYS B 4 9.714 -1.946 3.083 1.00 0.30 H new ATOM 0 HB3 LYS B 4 10.776 -3.191 3.711 1.00 0.30 H new ATOM 0 HG2 LYS B 4 8.797 -4.448 4.545 1.00 0.34 H new ATOM 0 HG3 LYS B 4 7.742 -3.209 3.895 1.00 0.34 H new ATOM 0 HD2 LYS B 4 7.924 -5.127 2.348 1.00 0.40 H new ATOM 0 HD3 LYS B 4 8.543 -3.661 1.614 1.00 0.40 H new ATOM 0 HE2 LYS B 4 10.847 -4.329 2.069 1.00 0.54 H new ATOM 0 HE3 LYS B 4 10.311 -5.705 3.012 1.00 0.54 H new ATOM 0 HZ1 LYS B 4 10.995 -6.268 0.730 1.00 0.75 H new ATOM 0 HZ2 LYS B 4 9.392 -6.715 1.064 1.00 0.75 H new ATOM 0 HZ3 LYS B 4 9.710 -5.337 0.125 1.00 0.75 H new ATOM 1029 N GLN B 5 12.228 -1.412 5.309 1.00 0.46 N ATOM 1030 CA GLN B 5 13.405 -0.560 5.218 1.00 0.52 C ATOM 1031 C GLN B 5 14.253 -0.981 4.026 1.00 0.57 C ATOM 1032 O GLN B 5 14.545 -0.164 3.154 1.00 1.35 O ATOM 1033 CB GLN B 5 14.216 -0.628 6.513 1.00 0.73 C ATOM 1034 CG GLN B 5 13.534 0.055 7.685 1.00 1.45 C ATOM 1035 CD GLN B 5 14.274 -0.134 8.992 1.00 2.10 C ATOM 1036 OE1 GLN B 5 14.917 -1.157 9.218 1.00 2.62 O ATOM 1037 NE2 GLN B 5 14.189 0.858 9.862 1.00 2.88 N ATOM 0 H GLN B 5 12.437 -2.397 5.471 1.00 0.46 H new ATOM 0 HA GLN B 5 13.087 0.473 5.074 1.00 0.52 H new ATOM 0 HB2 GLN B 5 14.397 -1.673 6.766 1.00 0.73 H new ATOM 0 HB3 GLN B 5 15.190 -0.166 6.349 1.00 0.73 H new ATOM 0 HG2 GLN B 5 13.445 1.121 7.475 1.00 1.45 H new ATOM 0 HG3 GLN B 5 12.522 -0.336 7.787 1.00 1.45 H new ATOM 0 HE21 GLN B 5 13.645 1.690 9.635 1.00 2.88 H new ATOM 0 HE22 GLN B 5 14.668 0.791 10.760 1.00 2.88 H new ATOM 1046 N THR B 6 14.628 -2.260 3.993 1.00 0.67 N ATOM 1047 CA THR B 6 15.328 -2.869 2.850 1.00 0.58 C ATOM 1048 C THR B 6 16.542 -2.067 2.366 1.00 0.67 C ATOM 1049 O THR B 6 17.014 -1.130 3.019 1.00 0.88 O ATOM 1050 CB THR B 6 14.375 -3.085 1.646 1.00 0.57 C ATOM 1051 OG1 THR B 6 13.626 -1.894 1.365 1.00 1.03 O ATOM 1052 CG2 THR B 6 13.419 -4.234 1.899 1.00 0.70 C ATOM 0 H THR B 6 14.456 -2.910 4.760 1.00 0.67 H new ATOM 0 HA THR B 6 15.686 -3.826 3.229 1.00 0.58 H new ATOM 0 HB THR B 6 14.996 -3.329 0.784 1.00 0.57 H new ATOM 0 HG1 THR B 6 14.131 -1.111 1.669 1.00 1.03 H new ATOM 0 HG21 THR B 6 12.765 -4.359 1.036 1.00 0.70 H new ATOM 0 HG22 THR B 6 13.986 -5.151 2.060 1.00 0.70 H new ATOM 0 HG23 THR B 6 12.818 -4.019 2.782 1.00 0.70 H new ATOM 1060 N ALA B 7 17.065 -2.489 1.224 1.00 0.68 N ATOM 1061 CA ALA B 7 18.065 -1.732 0.500 1.00 0.75 C ATOM 1062 C ALA B 7 17.394 -1.073 -0.692 1.00 0.70 C ATOM 1063 O ALA B 7 16.433 -1.610 -1.242 1.00 0.67 O ATOM 1064 CB ALA B 7 19.198 -2.638 0.049 1.00 0.90 C ATOM 0 H ALA B 7 16.805 -3.368 0.776 1.00 0.68 H new ATOM 0 HA ALA B 7 18.496 -0.969 1.148 1.00 0.75 H new ATOM 0 HB1 ALA B 7 19.939 -2.051 -0.493 1.00 0.90 H new ATOM 0 HB2 ALA B 7 19.665 -3.097 0.920 1.00 0.90 H new ATOM 0 HB3 ALA B 7 18.803 -3.416 -0.604 1.00 0.90 H new ATOM 1070 N ARG B 8 17.891 0.084 -1.093 1.00 0.74 N ATOM 1071 CA ARG B 8 17.233 0.860 -2.127 1.00 0.74 C ATOM 1072 C ARG B 8 17.646 0.384 -3.512 1.00 0.82 C ATOM 1073 O ARG B 8 18.729 -0.176 -3.701 1.00 1.15 O ATOM 1074 CB ARG B 8 17.528 2.349 -1.948 1.00 0.81 C ATOM 1075 CG ARG B 8 17.134 2.868 -0.574 1.00 0.86 C ATOM 1076 CD ARG B 8 16.864 4.362 -0.579 1.00 1.10 C ATOM 1077 NE ARG B 8 18.032 5.151 -0.962 1.00 1.72 N ATOM 1078 CZ ARG B 8 18.164 6.449 -0.693 1.00 2.18 C ATOM 1079 NH1 ARG B 8 17.218 7.091 -0.009 1.00 2.19 N ATOM 1080 NH2 ARG B 8 19.244 7.102 -1.104 1.00 3.09 N ATOM 0 H ARG B 8 18.743 0.504 -0.721 1.00 0.74 H new ATOM 0 HA ARG B 8 16.157 0.712 -2.033 1.00 0.74 H new ATOM 0 HB2 ARG B 8 18.592 2.525 -2.106 1.00 0.81 H new ATOM 0 HB3 ARG B 8 16.994 2.915 -2.712 1.00 0.81 H new ATOM 0 HG2 ARG B 8 16.244 2.341 -0.230 1.00 0.86 H new ATOM 0 HG3 ARG B 8 17.930 2.647 0.137 1.00 0.86 H new ATOM 0 HD2 ARG B 8 16.046 4.576 -1.267 1.00 1.10 H new ATOM 0 HD3 ARG B 8 16.534 4.669 0.413 1.00 1.10 H new ATOM 0 HE ARG B 8 18.787 4.683 -1.463 1.00 1.72 H new ATOM 0 HH11 ARG B 8 16.390 6.589 0.310 1.00 2.19 H new ATOM 0 HH12 ARG B 8 17.322 8.085 0.195 1.00 2.19 H new ATOM 0 HH21 ARG B 8 19.970 6.610 -1.624 1.00 3.09 H new ATOM 0 HH22 ARG B 8 19.348 8.096 -0.899 1.00 3.09 H new ATOM 1094 N LYS B 9 16.782 0.638 -4.484 1.00 0.77 N ATOM 1095 CA LYS B 9 16.950 0.120 -5.835 1.00 0.91 C ATOM 1096 C LYS B 9 17.594 1.170 -6.726 1.00 1.52 C ATOM 1097 O LYS B 9 17.465 1.130 -7.951 1.00 1.96 O ATOM 1098 CB LYS B 9 15.593 -0.290 -6.414 1.00 1.00 C ATOM 1099 CG LYS B 9 14.859 -1.342 -5.592 1.00 1.52 C ATOM 1100 CD LYS B 9 15.597 -2.672 -5.574 1.00 2.37 C ATOM 1101 CE LYS B 9 15.712 -3.267 -6.967 1.00 3.15 C ATOM 1102 NZ LYS B 9 16.313 -4.627 -6.941 1.00 3.53 N ATOM 0 H LYS B 9 15.946 1.208 -4.359 1.00 0.77 H new ATOM 0 HA LYS B 9 17.599 -0.755 -5.794 1.00 0.91 H new ATOM 0 HB2 LYS B 9 14.963 0.596 -6.497 1.00 1.00 H new ATOM 0 HB3 LYS B 9 15.741 -0.672 -7.424 1.00 1.00 H new ATOM 0 HG2 LYS B 9 14.736 -0.982 -4.570 1.00 1.52 H new ATOM 0 HG3 LYS B 9 13.859 -1.488 -6.001 1.00 1.52 H new ATOM 0 HD2 LYS B 9 16.593 -2.530 -5.155 1.00 2.37 H new ATOM 0 HD3 LYS B 9 15.073 -3.371 -4.922 1.00 2.37 H new ATOM 0 HE2 LYS B 9 14.724 -3.316 -7.424 1.00 3.15 H new ATOM 0 HE3 LYS B 9 16.320 -2.613 -7.592 1.00 3.15 H new ATOM 0 HZ1 LYS B 9 16.374 -4.998 -7.911 1.00 3.53 H new ATOM 0 HZ2 LYS B 9 17.266 -4.577 -6.529 1.00 3.53 H new ATOM 0 HZ3 LYS B 9 15.719 -5.258 -6.366 1.00 3.53 H new ATOM 1116 N SER B 10 18.263 2.118 -6.094 1.00 2.30 N ATOM 1117 CA SER B 10 18.942 3.187 -6.801 1.00 3.23 C ATOM 1118 C SER B 10 20.181 2.652 -7.510 1.00 3.61 C ATOM 1119 O SER B 10 20.251 2.770 -8.750 1.00 4.10 O ATOM 1120 CB SER B 10 19.328 4.290 -5.819 1.00 4.17 C ATOM 1121 OG SER B 10 18.260 4.574 -4.927 1.00 4.45 O ATOM 1122 OXT SER B 10 21.065 2.094 -6.826 1.00 3.81 O ATOM 0 H SER B 10 18.350 2.168 -5.079 1.00 2.30 H new ATOM 0 HA SER B 10 18.268 3.599 -7.552 1.00 3.23 H new ATOM 0 HB2 SER B 10 20.208 3.986 -5.253 1.00 4.17 H new ATOM 0 HB3 SER B 10 19.598 5.192 -6.368 1.00 4.17 H new ATOM 0 HG SER B 10 17.407 4.504 -5.405 1.00 4.45 H new TER 1128 SER B 10 HETATM 1129 ZN ZN A 355 8.063 5.651 -4.822 1.00 0.18 ZN HETATM 1130 ZN ZN A 356 -3.471 -3.736 -2.242 1.00 0.71 ZN