USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 570 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 88 TYR OH : rot 121:sc= 0.0439 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.204 X(o=-0.16,f=-0.52) USER MOD Set 2.1: A 51 SER OG : rot 80:sc= -1.46! USER MOD Set 2.2: A 84 THR OG1 : rot -38:sc= 0.493 USER MOD Set 3.1: A 3 HIS : no HD1:sc= -3.67! C(o=-7.5!,f=-4.6!) USER MOD Set 3.2: A 13 SER OG : rot -122:sc= -3.81! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -68:sc= 1.15 USER MOD Single : A 12 TYR OH : rot -48:sc= 0.618 USER MOD Single : A 16 MET CE :methyl -104:sc= -0.289 (180deg=-2.31!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.962 K(o=-0.96,f=-3.1!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -7.76! C(o=-7.8!,f=-16!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.589 X(o=-0.59,f=-0.14) USER MOD Single : A 45 GLN : amide:sc= -0.47 X(o=-0.47,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.27) USER MOD Single : A 52 ASN : amide:sc= -1.2! C(o=-1.2!,f=-1.4!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -0.61 USER MOD Single : A 63 ASN : amide:sc= -11.1! C(o=-11!,f=-8.9!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 77:sc= 0.292 USER MOD Single : A 71 THR OG1 : rot -167:sc= 0.107 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -0.255 X(o=-0.25,f=-0.47) USER MOD Single : A 83 SER OG : rot -107:sc= -1.19! USER MOD Single : A 85 THR OG1 : rot -140:sc= -0.283 USER MOD Single : A 86 SER OG : rot 180:sc= -0.0295 USER MOD Single : A 87 ASN : amide:sc= -1.95! C(o=-1.9!,f=-1.6!) USER MOD Single : A 90 GLN : amide:sc= -0.137 K(o=-0.14,f=-0.65) USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= 1.25 (180deg=1.14) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 50.545 8.344 -39.370 1.00 0.00 N ATOM 32 CA HIS A 3 49.884 7.534 -38.353 1.00 0.00 C ATOM 33 C HIS A 3 50.182 8.067 -36.957 1.00 0.00 C ATOM 34 O HIS A 3 51.235 8.659 -36.718 1.00 0.00 O ATOM 35 CB HIS A 3 50.334 6.076 -38.459 1.00 0.00 C ATOM 36 CG HIS A 3 49.426 5.224 -39.288 1.00 0.00 C ATOM 37 ND1 HIS A 3 49.488 5.175 -40.665 1.00 0.00 N ATOM 38 CD2 HIS A 3 48.432 4.378 -38.928 1.00 0.00 C ATOM 39 CE1 HIS A 3 48.572 4.337 -41.116 1.00 0.00 C ATOM 40 NE2 HIS A 3 47.918 3.839 -40.083 1.00 0.00 N ATOM 0 HA HIS A 3 48.809 7.589 -38.524 1.00 0.00 H new ATOM 0 HB2 HIS A 3 51.337 6.045 -38.886 1.00 0.00 H new ATOM 0 HB3 HIS A 3 50.401 5.652 -37.457 1.00 0.00 H new ATOM 0 HD2 HIS A 3 48.104 4.166 -37.921 1.00 0.00 H new ATOM 0 HE1 HIS A 3 48.389 4.100 -42.154 1.00 0.00 H new ATOM 0 HE2 HIS A 3 47.155 3.164 -40.134 1.00 0.00 H new ATOM 49 N CYS A 4 49.247 7.855 -36.039 1.00 0.00 N ATOM 50 CA CYS A 4 49.407 8.315 -34.664 1.00 0.00 C ATOM 51 C CYS A 4 49.659 7.143 -33.721 1.00 0.00 C ATOM 52 O CYS A 4 49.243 6.017 -33.989 1.00 0.00 O ATOM 53 CB CYS A 4 48.165 9.089 -34.212 1.00 0.00 C ATOM 54 SG CYS A 4 46.789 9.063 -35.407 1.00 0.00 S ATOM 0 H CYS A 4 48.370 7.368 -36.221 1.00 0.00 H new ATOM 0 HA CYS A 4 50.272 8.977 -34.631 1.00 0.00 H new ATOM 0 HB2 CYS A 4 47.817 8.674 -33.266 1.00 0.00 H new ATOM 0 HB3 CYS A 4 48.446 10.125 -34.022 1.00 0.00 H new ATOM 59 N VAL A 5 50.345 7.419 -32.616 1.00 0.00 N ATOM 60 CA VAL A 5 50.654 6.390 -31.631 1.00 0.00 C ATOM 61 C VAL A 5 50.515 6.929 -30.211 1.00 0.00 C ATOM 62 O VAL A 5 50.788 8.100 -29.952 1.00 0.00 O ATOM 63 CB VAL A 5 52.082 5.842 -31.819 1.00 0.00 C ATOM 64 CG1 VAL A 5 52.348 4.702 -30.849 1.00 0.00 C ATOM 65 CG2 VAL A 5 52.296 5.391 -33.257 1.00 0.00 C ATOM 0 H VAL A 5 50.697 8.347 -32.381 1.00 0.00 H new ATOM 0 HA VAL A 5 49.938 5.582 -31.784 1.00 0.00 H new ATOM 0 HB VAL A 5 52.790 6.642 -31.605 1.00 0.00 H new ATOM 0 HG11 VAL A 5 53.361 4.328 -30.996 1.00 0.00 H new ATOM 0 HG12 VAL A 5 52.239 5.062 -29.826 1.00 0.00 H new ATOM 0 HG13 VAL A 5 51.634 3.898 -31.028 1.00 0.00 H new ATOM 0 HG21 VAL A 5 53.310 5.007 -33.371 1.00 0.00 H new ATOM 0 HG22 VAL A 5 51.581 4.606 -33.502 1.00 0.00 H new ATOM 0 HG23 VAL A 5 52.151 6.237 -33.929 1.00 0.00 H new ATOM 75 N THR A 6 50.088 6.066 -29.294 1.00 0.00 N ATOM 76 CA THR A 6 49.914 6.458 -27.899 1.00 0.00 C ATOM 77 C THR A 6 50.106 5.268 -26.964 1.00 0.00 C ATOM 78 O THR A 6 49.328 4.314 -26.990 1.00 0.00 O ATOM 79 CB THR A 6 48.522 7.071 -27.656 1.00 0.00 C ATOM 80 OG1 THR A 6 48.278 7.191 -26.249 1.00 0.00 O ATOM 81 CG2 THR A 6 47.434 6.220 -28.296 1.00 0.00 C ATOM 0 H THR A 6 49.856 5.092 -29.491 1.00 0.00 H new ATOM 0 HA THR A 6 50.674 7.209 -27.685 1.00 0.00 H new ATOM 0 HB THR A 6 48.501 8.060 -28.113 1.00 0.00 H new ATOM 0 HG1 THR A 6 47.392 7.583 -26.103 1.00 0.00 H new ATOM 0 HG21 THR A 6 46.461 6.674 -28.110 1.00 0.00 H new ATOM 0 HG22 THR A 6 47.606 6.157 -29.371 1.00 0.00 H new ATOM 0 HG23 THR A 6 47.455 5.219 -27.866 1.00 0.00 H new ATOM 89 N ASP A 7 51.147 5.333 -26.137 1.00 0.00 N ATOM 90 CA ASP A 7 51.444 4.263 -25.190 1.00 0.00 C ATOM 91 C ASP A 7 52.296 3.174 -25.837 1.00 0.00 C ATOM 92 O ASP A 7 52.599 2.157 -25.212 1.00 0.00 O ATOM 93 CB ASP A 7 50.148 3.656 -24.648 1.00 0.00 C ATOM 94 CG ASP A 7 50.268 3.234 -23.196 1.00 0.00 C ATOM 95 OD1 ASP A 7 51.304 3.543 -22.572 1.00 0.00 O ATOM 96 OD2 ASP A 7 49.325 2.594 -22.685 1.00 0.00 O ATOM 0 H ASP A 7 51.799 6.117 -26.104 1.00 0.00 H new ATOM 0 HA ASP A 7 52.009 4.696 -24.365 1.00 0.00 H new ATOM 0 HB2 ASP A 7 49.341 4.382 -24.747 1.00 0.00 H new ATOM 0 HB3 ASP A 7 49.874 2.792 -25.253 1.00 0.00 H new ATOM 101 N SER A 8 52.684 3.393 -27.090 1.00 0.00 N ATOM 102 CA SER A 8 53.503 2.427 -27.813 1.00 0.00 C ATOM 103 C SER A 8 52.778 1.092 -27.942 1.00 0.00 C ATOM 104 O SER A 8 53.366 0.032 -27.729 1.00 0.00 O ATOM 105 CB SER A 8 54.840 2.227 -27.099 1.00 0.00 C ATOM 106 OG SER A 8 55.564 1.146 -27.661 1.00 0.00 O ATOM 0 H SER A 8 52.445 4.229 -27.624 1.00 0.00 H new ATOM 0 HA SER A 8 53.688 2.819 -28.813 1.00 0.00 H new ATOM 0 HB2 SER A 8 55.432 3.140 -27.168 1.00 0.00 H new ATOM 0 HB3 SER A 8 54.665 2.039 -26.040 1.00 0.00 H new ATOM 0 HG SER A 8 55.103 0.305 -27.461 1.00 0.00 H new ATOM 112 N GLY A 9 51.496 1.151 -28.290 1.00 0.00 N ATOM 113 CA GLY A 9 50.713 -0.060 -28.437 1.00 0.00 C ATOM 114 C GLY A 9 49.576 0.100 -29.426 1.00 0.00 C ATOM 115 O GLY A 9 49.334 -0.777 -30.254 1.00 0.00 O ATOM 0 H GLY A 9 50.987 2.016 -28.472 1.00 0.00 H new ATOM 0 HA2 GLY A 9 51.363 -0.872 -28.764 1.00 0.00 H new ATOM 0 HA3 GLY A 9 50.308 -0.347 -27.466 1.00 0.00 H new ATOM 119 N VAL A 10 48.877 1.224 -29.337 1.00 0.00 N ATOM 120 CA VAL A 10 47.758 1.502 -30.228 1.00 0.00 C ATOM 121 C VAL A 10 48.156 2.485 -31.322 1.00 0.00 C ATOM 122 O VAL A 10 48.298 3.683 -31.074 1.00 0.00 O ATOM 123 CB VAL A 10 46.553 2.072 -29.454 1.00 0.00 C ATOM 124 CG1 VAL A 10 45.379 2.305 -30.392 1.00 0.00 C ATOM 125 CG2 VAL A 10 46.162 1.142 -28.316 1.00 0.00 C ATOM 0 H VAL A 10 49.066 1.959 -28.656 1.00 0.00 H new ATOM 0 HA VAL A 10 47.473 0.553 -30.683 1.00 0.00 H new ATOM 0 HB VAL A 10 46.840 3.032 -29.024 1.00 0.00 H new ATOM 0 HG11 VAL A 10 44.537 2.707 -29.828 1.00 0.00 H new ATOM 0 HG12 VAL A 10 45.668 3.014 -31.168 1.00 0.00 H new ATOM 0 HG13 VAL A 10 45.089 1.361 -30.853 1.00 0.00 H new ATOM 0 HG21 VAL A 10 45.310 1.560 -27.781 1.00 0.00 H new ATOM 0 HG22 VAL A 10 45.893 0.166 -28.720 1.00 0.00 H new ATOM 0 HG23 VAL A 10 47.002 1.032 -27.631 1.00 0.00 H new ATOM 135 N VAL A 11 48.333 1.972 -32.535 1.00 0.00 N ATOM 136 CA VAL A 11 48.714 2.803 -33.670 1.00 0.00 C ATOM 137 C VAL A 11 47.487 3.427 -34.328 1.00 0.00 C ATOM 138 O VAL A 11 46.839 2.806 -35.170 1.00 0.00 O ATOM 139 CB VAL A 11 49.492 1.995 -34.724 1.00 0.00 C ATOM 140 CG1 VAL A 11 49.719 2.826 -35.977 1.00 0.00 C ATOM 141 CG2 VAL A 11 50.814 1.506 -34.153 1.00 0.00 C ATOM 0 H VAL A 11 48.218 0.983 -32.757 1.00 0.00 H new ATOM 0 HA VAL A 11 49.358 3.592 -33.282 1.00 0.00 H new ATOM 0 HB VAL A 11 48.896 1.124 -34.998 1.00 0.00 H new ATOM 0 HG11 VAL A 11 50.271 2.237 -36.709 1.00 0.00 H new ATOM 0 HG12 VAL A 11 48.757 3.120 -36.398 1.00 0.00 H new ATOM 0 HG13 VAL A 11 50.292 3.718 -35.723 1.00 0.00 H new ATOM 0 HG21 VAL A 11 51.350 0.937 -34.912 1.00 0.00 H new ATOM 0 HG22 VAL A 11 51.417 2.361 -33.848 1.00 0.00 H new ATOM 0 HG23 VAL A 11 50.624 0.869 -33.289 1.00 0.00 H new ATOM 151 N TYR A 12 47.174 4.658 -33.936 1.00 0.00 N ATOM 152 CA TYR A 12 46.024 5.366 -34.487 1.00 0.00 C ATOM 153 C TYR A 12 46.346 5.948 -35.857 1.00 0.00 C ATOM 154 O TYR A 12 47.448 5.773 -36.378 1.00 0.00 O ATOM 155 CB TYR A 12 45.588 6.487 -33.543 1.00 0.00 C ATOM 156 CG TYR A 12 44.843 5.998 -32.322 1.00 0.00 C ATOM 157 CD1 TYR A 12 43.590 5.411 -32.438 1.00 0.00 C ATOM 158 CD2 TYR A 12 45.394 6.126 -31.055 1.00 0.00 C ATOM 159 CE1 TYR A 12 42.906 4.963 -31.324 1.00 0.00 C ATOM 160 CE2 TYR A 12 44.716 5.681 -29.935 1.00 0.00 C ATOM 161 CZ TYR A 12 43.473 5.101 -30.075 1.00 0.00 C ATOM 162 OH TYR A 12 42.796 4.657 -28.962 1.00 0.00 O ATOM 0 H TYR A 12 47.700 5.186 -33.239 1.00 0.00 H new ATOM 0 HA TYR A 12 45.210 4.649 -34.596 1.00 0.00 H new ATOM 0 HB2 TYR A 12 46.469 7.043 -33.222 1.00 0.00 H new ATOM 0 HB3 TYR A 12 44.953 7.184 -34.090 1.00 0.00 H new ATOM 0 HD1 TYR A 12 43.143 5.303 -33.415 1.00 0.00 H new ATOM 0 HD2 TYR A 12 46.367 6.580 -30.942 1.00 0.00 H new ATOM 0 HE1 TYR A 12 41.933 4.507 -31.431 1.00 0.00 H new ATOM 0 HE2 TYR A 12 45.158 5.787 -28.955 1.00 0.00 H new ATOM 0 HH TYR A 12 41.874 4.988 -28.987 1.00 0.00 H new ATOM 172 N SER A 13 45.375 6.647 -36.433 1.00 0.00 N ATOM 173 CA SER A 13 45.546 7.266 -37.740 1.00 0.00 C ATOM 174 C SER A 13 44.775 8.581 -37.815 1.00 0.00 C ATOM 175 O SER A 13 43.731 8.735 -37.183 1.00 0.00 O ATOM 176 CB SER A 13 45.073 6.320 -38.844 1.00 0.00 C ATOM 177 OG SER A 13 46.105 5.426 -39.226 1.00 0.00 O ATOM 0 H SER A 13 44.458 6.799 -36.013 1.00 0.00 H new ATOM 0 HA SER A 13 46.606 7.473 -37.884 1.00 0.00 H new ATOM 0 HB2 SER A 13 44.208 5.755 -38.497 1.00 0.00 H new ATOM 0 HB3 SER A 13 44.750 6.899 -39.709 1.00 0.00 H new ATOM 0 HG SER A 13 46.284 5.524 -40.185 1.00 0.00 H new ATOM 183 N VAL A 14 45.301 9.526 -38.584 1.00 0.00 N ATOM 184 CA VAL A 14 44.666 10.830 -38.736 1.00 0.00 C ATOM 185 C VAL A 14 43.224 10.694 -39.215 1.00 0.00 C ATOM 186 O VAL A 14 42.945 10.784 -40.411 1.00 0.00 O ATOM 187 CB VAL A 14 45.450 11.719 -39.723 1.00 0.00 C ATOM 188 CG1 VAL A 14 45.855 10.923 -40.953 1.00 0.00 C ATOM 189 CG2 VAL A 14 44.630 12.940 -40.114 1.00 0.00 C ATOM 0 H VAL A 14 46.166 9.414 -39.113 1.00 0.00 H new ATOM 0 HA VAL A 14 44.668 11.301 -37.753 1.00 0.00 H new ATOM 0 HB VAL A 14 46.357 12.065 -39.228 1.00 0.00 H new ATOM 0 HG11 VAL A 14 46.407 11.567 -41.638 1.00 0.00 H new ATOM 0 HG12 VAL A 14 46.486 10.086 -40.653 1.00 0.00 H new ATOM 0 HG13 VAL A 14 44.963 10.544 -41.451 1.00 0.00 H new ATOM 0 HG21 VAL A 14 45.201 13.554 -40.811 1.00 0.00 H new ATOM 0 HG22 VAL A 14 43.703 12.619 -40.589 1.00 0.00 H new ATOM 0 HG23 VAL A 14 44.398 13.523 -39.223 1.00 0.00 H new ATOM 199 N GLY A 15 42.308 10.487 -38.272 1.00 0.00 N ATOM 200 CA GLY A 15 40.905 10.352 -38.613 1.00 0.00 C ATOM 201 C GLY A 15 40.292 9.076 -38.070 1.00 0.00 C ATOM 202 O GLY A 15 39.170 8.719 -38.429 1.00 0.00 O ATOM 0 H GLY A 15 42.515 10.410 -37.276 1.00 0.00 H new ATOM 0 HA2 GLY A 15 40.356 11.209 -38.222 1.00 0.00 H new ATOM 0 HA3 GLY A 15 40.795 10.370 -39.697 1.00 0.00 H new ATOM 206 N MET A 16 41.025 8.390 -37.199 1.00 0.00 N ATOM 207 CA MET A 16 40.538 7.151 -36.605 1.00 0.00 C ATOM 208 C MET A 16 39.436 7.440 -35.591 1.00 0.00 C ATOM 209 O MET A 16 38.669 6.552 -35.221 1.00 0.00 O ATOM 210 CB MET A 16 41.684 6.394 -35.932 1.00 0.00 C ATOM 211 CG MET A 16 42.016 5.071 -36.605 1.00 0.00 C ATOM 212 SD MET A 16 41.804 3.659 -35.504 1.00 0.00 S ATOM 213 CE MET A 16 43.361 2.807 -35.743 1.00 0.00 C ATOM 0 H MET A 16 41.956 8.670 -36.890 1.00 0.00 H new ATOM 0 HA MET A 16 40.126 6.530 -37.401 1.00 0.00 H new ATOM 0 HB2 MET A 16 42.573 7.024 -35.930 1.00 0.00 H new ATOM 0 HB3 MET A 16 41.423 6.207 -34.890 1.00 0.00 H new ATOM 0 HG2 MET A 16 41.379 4.943 -37.480 1.00 0.00 H new ATOM 0 HG3 MET A 16 43.046 5.097 -36.961 1.00 0.00 H new ATOM 0 HE1 MET A 16 43.205 1.935 -36.379 1.00 0.00 H new ATOM 0 HE2 MET A 16 44.075 3.480 -36.218 1.00 0.00 H new ATOM 0 HE3 MET A 16 43.752 2.486 -34.777 1.00 0.00 H new ATOM 223 N GLN A 17 39.366 8.693 -35.149 1.00 0.00 N ATOM 224 CA GLN A 17 38.360 9.113 -34.181 1.00 0.00 C ATOM 225 C GLN A 17 38.069 8.005 -33.175 1.00 0.00 C ATOM 226 O GLN A 17 37.271 7.105 -33.439 1.00 0.00 O ATOM 227 CB GLN A 17 37.070 9.516 -34.898 1.00 0.00 C ATOM 228 CG GLN A 17 36.823 11.016 -34.907 1.00 0.00 C ATOM 229 CD GLN A 17 35.378 11.366 -35.199 1.00 0.00 C ATOM 230 OE1 GLN A 17 34.883 11.137 -36.302 1.00 0.00 O ATOM 231 NE2 GLN A 17 34.694 11.927 -34.208 1.00 0.00 N ATOM 0 H GLN A 17 39.997 9.437 -35.448 1.00 0.00 H new ATOM 0 HA GLN A 17 38.754 9.973 -33.640 1.00 0.00 H new ATOM 0 HB2 GLN A 17 37.108 9.156 -35.926 1.00 0.00 H new ATOM 0 HB3 GLN A 17 36.227 9.020 -34.417 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.106 11.433 -33.941 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.464 11.482 -35.655 1.00 0.00 H new ATOM 0 HE21 GLN A 17 35.146 12.098 -33.310 1.00 0.00 H new ATOM 0 HE22 GLN A 17 33.717 12.186 -34.345 1.00 0.00 H new ATOM 240 N TRP A 18 38.720 8.077 -32.018 1.00 0.00 N ATOM 241 CA TRP A 18 38.526 7.082 -30.971 1.00 0.00 C ATOM 242 C TRP A 18 38.280 7.748 -29.620 1.00 0.00 C ATOM 243 O TRP A 18 38.041 8.954 -29.544 1.00 0.00 O ATOM 244 CB TRP A 18 39.739 6.155 -30.886 1.00 0.00 C ATOM 245 CG TRP A 18 40.994 6.855 -30.471 1.00 0.00 C ATOM 246 CD1 TRP A 18 41.512 6.928 -29.210 1.00 0.00 C ATOM 247 CD2 TRP A 18 41.892 7.582 -31.316 1.00 0.00 C ATOM 248 NE1 TRP A 18 42.676 7.656 -29.219 1.00 0.00 N ATOM 249 CE2 TRP A 18 42.931 8.069 -30.502 1.00 0.00 C ATOM 250 CE3 TRP A 18 41.918 7.868 -32.684 1.00 0.00 C ATOM 251 CZ2 TRP A 18 43.984 8.825 -31.010 1.00 0.00 C ATOM 252 CZ3 TRP A 18 42.963 8.618 -33.189 1.00 0.00 C ATOM 253 CH2 TRP A 18 43.984 9.089 -32.353 1.00 0.00 C ATOM 0 H TRP A 18 39.385 8.813 -31.783 1.00 0.00 H new ATOM 0 HA TRP A 18 37.646 6.492 -31.227 1.00 0.00 H new ATOM 0 HB2 TRP A 18 39.527 5.355 -30.177 1.00 0.00 H new ATOM 0 HB3 TRP A 18 39.897 5.686 -31.857 1.00 0.00 H new ATOM 0 HD1 TRP A 18 41.070 6.478 -28.333 1.00 0.00 H new ATOM 0 HE1 TRP A 18 43.256 7.857 -28.405 1.00 0.00 H new ATOM 0 HE3 TRP A 18 41.135 7.509 -33.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 44.772 9.190 -30.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 42.993 8.845 -34.245 1.00 0.00 H new ATOM 0 HH2 TRP A 18 44.788 9.673 -32.777 1.00 0.00 H new ATOM 264 N LEU A 19 38.338 6.955 -28.557 1.00 0.00 N ATOM 265 CA LEU A 19 38.116 7.464 -27.210 1.00 0.00 C ATOM 266 C LEU A 19 39.110 6.855 -26.227 1.00 0.00 C ATOM 267 O LEU A 19 39.099 5.648 -25.986 1.00 0.00 O ATOM 268 CB LEU A 19 36.684 7.164 -26.760 1.00 0.00 C ATOM 269 CG LEU A 19 36.263 7.819 -25.442 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.768 9.236 -25.685 1.00 0.00 C ATOM 271 CD2 LEU A 19 35.190 6.989 -24.755 1.00 0.00 C ATOM 0 H LEU A 19 38.537 5.956 -28.602 1.00 0.00 H new ATOM 0 HA LEU A 19 38.266 8.544 -27.226 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.999 7.488 -27.543 1.00 0.00 H new ATOM 0 HB3 LEU A 19 36.569 6.084 -26.663 1.00 0.00 H new ATOM 0 HG LEU A 19 37.133 7.867 -24.787 1.00 0.00 H new ATOM 0 HD11 LEU A 19 35.473 9.686 -24.737 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.565 9.828 -26.135 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.910 9.212 -26.357 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.902 7.469 -23.820 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.319 6.910 -25.405 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.579 5.992 -24.547 1.00 0.00 H new ATOM 283 N LYS A 20 39.970 7.697 -25.666 1.00 0.00 N ATOM 284 CA LYS A 20 40.973 7.238 -24.712 1.00 0.00 C ATOM 285 C LYS A 20 40.381 7.118 -23.311 1.00 0.00 C ATOM 286 O LYS A 20 39.561 7.939 -22.897 1.00 0.00 O ATOM 287 CB LYS A 20 42.165 8.196 -24.696 1.00 0.00 C ATOM 288 CG LYS A 20 43.439 7.582 -24.135 1.00 0.00 C ATOM 289 CD LYS A 20 43.782 6.272 -24.825 1.00 0.00 C ATOM 290 CE LYS A 20 43.732 5.103 -23.855 1.00 0.00 C ATOM 291 NZ LYS A 20 44.966 4.273 -23.922 1.00 0.00 N ATOM 0 H LYS A 20 39.993 8.699 -25.855 1.00 0.00 H new ATOM 0 HA LYS A 20 41.312 6.251 -25.026 1.00 0.00 H new ATOM 0 HB2 LYS A 20 42.356 8.541 -25.712 1.00 0.00 H new ATOM 0 HB3 LYS A 20 41.905 9.074 -24.105 1.00 0.00 H new ATOM 0 HG2 LYS A 20 44.265 8.284 -24.255 1.00 0.00 H new ATOM 0 HG3 LYS A 20 43.320 7.410 -23.065 1.00 0.00 H new ATOM 0 HD2 LYS A 20 43.084 6.097 -25.644 1.00 0.00 H new ATOM 0 HD3 LYS A 20 44.778 6.340 -25.264 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.602 5.479 -22.840 1.00 0.00 H new ATOM 0 HE3 LYS A 20 42.864 4.482 -24.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 44.892 3.486 -23.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 45.077 3.893 -24.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 45.792 4.859 -23.683 1.00 0.00 H new ATOM 379 N GLN A 26 37.213 9.596 -18.288 1.00 0.00 N ATOM 380 CA GLN A 26 36.922 9.378 -19.699 1.00 0.00 C ATOM 381 C GLN A 26 37.457 10.525 -20.550 1.00 0.00 C ATOM 382 O GLN A 26 37.463 11.679 -20.122 1.00 0.00 O ATOM 383 CB GLN A 26 35.415 9.227 -19.915 1.00 0.00 C ATOM 384 CG GLN A 26 34.784 8.142 -19.058 1.00 0.00 C ATOM 385 CD GLN A 26 34.506 8.606 -17.642 1.00 0.00 C ATOM 386 OE1 GLN A 26 34.564 9.800 -17.344 1.00 0.00 O ATOM 387 NE2 GLN A 26 34.200 7.663 -16.758 1.00 0.00 N ATOM 0 HA GLN A 26 37.420 8.459 -20.007 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.928 10.178 -19.699 1.00 0.00 H new ATOM 0 HB3 GLN A 26 35.227 9.004 -20.965 1.00 0.00 H new ATOM 0 HG2 GLN A 26 33.852 7.816 -19.519 1.00 0.00 H new ATOM 0 HG3 GLN A 26 35.445 7.276 -19.029 1.00 0.00 H new ATOM 0 HE21 GLN A 26 34.163 6.686 -17.047 1.00 0.00 H new ATOM 0 HE22 GLN A 26 34.002 7.916 -15.790 1.00 0.00 H new ATOM 396 N MET A 27 37.909 10.197 -21.755 1.00 0.00 N ATOM 397 CA MET A 27 38.450 11.198 -22.666 1.00 0.00 C ATOM 398 C MET A 27 38.352 10.724 -24.113 1.00 0.00 C ATOM 399 O MET A 27 38.479 9.532 -24.395 1.00 0.00 O ATOM 400 CB MET A 27 39.908 11.499 -22.308 1.00 0.00 C ATOM 401 CG MET A 27 40.563 12.523 -23.220 1.00 0.00 C ATOM 402 SD MET A 27 41.917 11.821 -24.182 1.00 0.00 S ATOM 403 CE MET A 27 43.258 11.917 -22.999 1.00 0.00 C ATOM 0 H MET A 27 37.911 9.246 -22.123 1.00 0.00 H new ATOM 0 HA MET A 27 37.862 12.110 -22.564 1.00 0.00 H new ATOM 0 HB2 MET A 27 39.953 11.859 -21.280 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.481 10.572 -22.346 1.00 0.00 H new ATOM 0 HG2 MET A 27 39.814 12.934 -23.898 1.00 0.00 H new ATOM 0 HG3 MET A 27 40.939 13.352 -22.620 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.168 11.519 -23.447 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.419 12.957 -22.715 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.005 11.334 -22.114 1.00 0.00 H new ATOM 413 N LEU A 28 38.120 11.662 -25.026 1.00 0.00 N ATOM 414 CA LEU A 28 38.000 11.337 -26.445 1.00 0.00 C ATOM 415 C LEU A 28 39.215 11.833 -27.220 1.00 0.00 C ATOM 416 O LEU A 28 39.595 12.999 -27.117 1.00 0.00 O ATOM 417 CB LEU A 28 36.724 11.951 -27.024 1.00 0.00 C ATOM 418 CG LEU A 28 36.578 11.825 -28.540 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.879 10.526 -28.903 1.00 0.00 C ATOM 420 CD2 LEU A 28 35.817 13.018 -29.100 1.00 0.00 C ATOM 0 H LEU A 28 38.011 12.653 -24.810 1.00 0.00 H new ATOM 0 HA LEU A 28 37.948 10.253 -26.542 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.864 11.478 -26.551 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.694 13.007 -26.758 1.00 0.00 H new ATOM 0 HG LEU A 28 37.574 11.812 -28.983 1.00 0.00 H new ATOM 0 HD11 LEU A 28 35.784 10.454 -29.987 1.00 0.00 H new ATOM 0 HD12 LEU A 28 36.463 9.683 -28.533 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.888 10.507 -28.450 1.00 0.00 H new ATOM 0 HD21 LEU A 28 35.721 12.914 -30.181 1.00 0.00 H new ATOM 0 HD22 LEU A 28 34.825 13.061 -28.650 1.00 0.00 H new ATOM 0 HD23 LEU A 28 36.359 13.935 -28.871 1.00 0.00 H new ATOM 432 N CYS A 29 39.820 10.941 -27.997 1.00 0.00 N ATOM 433 CA CYS A 29 40.998 11.286 -28.788 1.00 0.00 C ATOM 434 C CYS A 29 40.683 11.276 -30.281 1.00 0.00 C ATOM 435 O CYS A 29 40.094 10.326 -30.795 1.00 0.00 O ATOM 436 CB CYS A 29 42.135 10.305 -28.497 1.00 0.00 C ATOM 437 SG CYS A 29 43.251 10.821 -27.151 1.00 0.00 S ATOM 0 H CYS A 29 39.515 9.973 -28.097 1.00 0.00 H new ATOM 0 HA CYS A 29 41.305 12.293 -28.507 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.706 9.335 -28.245 1.00 0.00 H new ATOM 0 HB3 CYS A 29 42.721 10.168 -29.406 1.00 0.00 H new ATOM 442 N THR A 30 41.090 12.336 -30.976 1.00 0.00 N ATOM 443 CA THR A 30 40.863 12.440 -32.412 1.00 0.00 C ATOM 444 C THR A 30 42.142 12.838 -33.136 1.00 0.00 C ATOM 445 O THR A 30 42.723 13.888 -32.862 1.00 0.00 O ATOM 446 CB THR A 30 39.764 13.464 -32.753 1.00 0.00 C ATOM 447 OG1 THR A 30 38.515 13.053 -32.184 1.00 0.00 O ATOM 448 CG2 THR A 30 39.619 13.609 -34.262 1.00 0.00 C ATOM 0 H THR A 30 41.578 13.133 -30.567 1.00 0.00 H new ATOM 0 HA THR A 30 40.538 11.454 -32.744 1.00 0.00 H new ATOM 0 HB THR A 30 40.050 14.429 -32.334 1.00 0.00 H new ATOM 0 HG1 THR A 30 37.823 13.711 -32.404 1.00 0.00 H new ATOM 0 HG21 THR A 30 38.838 14.336 -34.484 1.00 0.00 H new ATOM 0 HG22 THR A 30 40.563 13.949 -34.687 1.00 0.00 H new ATOM 0 HG23 THR A 30 39.352 12.646 -34.696 1.00 0.00 H new ATOM 456 N CYS A 31 42.574 11.990 -34.059 1.00 0.00 N ATOM 457 CA CYS A 31 43.786 12.245 -34.826 1.00 0.00 C ATOM 458 C CYS A 31 43.478 13.092 -36.057 1.00 0.00 C ATOM 459 O CYS A 31 43.108 12.568 -37.108 1.00 0.00 O ATOM 460 CB CYS A 31 44.424 10.921 -35.239 1.00 0.00 C ATOM 461 SG CYS A 31 46.217 11.004 -35.531 1.00 0.00 S ATOM 0 H CYS A 31 42.102 11.117 -34.295 1.00 0.00 H new ATOM 0 HA CYS A 31 44.486 12.799 -34.200 1.00 0.00 H new ATOM 0 HB2 CYS A 31 44.229 10.181 -34.463 1.00 0.00 H new ATOM 0 HB3 CYS A 31 43.937 10.566 -36.147 1.00 0.00 H new ATOM 466 N LEU A 32 43.629 14.406 -35.917 1.00 0.00 N ATOM 467 CA LEU A 32 43.365 15.330 -37.008 1.00 0.00 C ATOM 468 C LEU A 32 44.552 15.381 -37.972 1.00 0.00 C ATOM 469 O LEU A 32 45.416 14.504 -37.948 1.00 0.00 O ATOM 470 CB LEU A 32 43.070 16.717 -36.435 1.00 0.00 C ATOM 471 CG LEU A 32 44.018 17.153 -35.322 1.00 0.00 C ATOM 472 CD1 LEU A 32 44.264 18.646 -35.389 1.00 0.00 C ATOM 473 CD2 LEU A 32 43.460 16.765 -33.961 1.00 0.00 C ATOM 0 H LEU A 32 43.935 14.853 -35.053 1.00 0.00 H new ATOM 0 HA LEU A 32 42.497 14.984 -37.570 1.00 0.00 H new ATOM 0 HB2 LEU A 32 43.116 17.448 -37.242 1.00 0.00 H new ATOM 0 HB3 LEU A 32 42.050 16.729 -36.052 1.00 0.00 H new ATOM 0 HG LEU A 32 44.970 16.640 -35.461 1.00 0.00 H new ATOM 0 HD11 LEU A 32 44.942 18.939 -34.588 1.00 0.00 H new ATOM 0 HD12 LEU A 32 44.709 18.899 -36.352 1.00 0.00 H new ATOM 0 HD13 LEU A 32 43.318 19.176 -35.276 1.00 0.00 H new ATOM 0 HD21 LEU A 32 44.150 17.084 -33.180 1.00 0.00 H new ATOM 0 HD22 LEU A 32 42.495 17.249 -33.812 1.00 0.00 H new ATOM 0 HD23 LEU A 32 43.335 15.683 -33.914 1.00 0.00 H new ATOM 485 N GLY A 33 44.587 16.404 -38.822 1.00 0.00 N ATOM 486 CA GLY A 33 45.669 16.536 -39.781 1.00 0.00 C ATOM 487 C GLY A 33 46.967 17.005 -39.153 1.00 0.00 C ATOM 488 O GLY A 33 48.049 16.593 -39.573 1.00 0.00 O ATOM 0 H GLY A 33 43.885 17.143 -38.863 1.00 0.00 H new ATOM 0 HA2 GLY A 33 45.834 15.575 -40.268 1.00 0.00 H new ATOM 0 HA3 GLY A 33 45.373 17.240 -40.559 1.00 0.00 H new ATOM 492 N ASN A 34 46.864 17.871 -38.151 1.00 0.00 N ATOM 493 CA ASN A 34 48.046 18.398 -37.476 1.00 0.00 C ATOM 494 C ASN A 34 48.656 17.352 -36.545 1.00 0.00 C ATOM 495 O ASN A 34 49.866 17.341 -36.316 1.00 0.00 O ATOM 496 CB ASN A 34 47.692 19.673 -36.699 1.00 0.00 C ATOM 497 CG ASN A 34 47.338 19.410 -35.245 1.00 0.00 C ATOM 498 OD1 ASN A 34 46.770 18.371 -34.910 1.00 0.00 O ATOM 499 ND2 ASN A 34 47.676 20.353 -34.374 1.00 0.00 N ATOM 0 H ASN A 34 45.978 18.222 -37.789 1.00 0.00 H new ATOM 0 HA ASN A 34 48.789 18.647 -38.233 1.00 0.00 H new ATOM 0 HB2 ASN A 34 48.535 20.362 -36.742 1.00 0.00 H new ATOM 0 HB3 ASN A 34 46.852 20.166 -37.187 1.00 0.00 H new ATOM 0 HD21 ASN A 34 47.466 20.231 -33.383 1.00 0.00 H new ATOM 0 HD22 ASN A 34 48.146 21.199 -34.695 1.00 0.00 H new ATOM 506 N GLY A 35 47.810 16.477 -36.011 1.00 0.00 N ATOM 507 CA GLY A 35 48.285 15.443 -35.111 1.00 0.00 C ATOM 508 C GLY A 35 47.152 14.715 -34.415 1.00 0.00 C ATOM 509 O GLY A 35 46.402 13.971 -35.048 1.00 0.00 O ATOM 0 H GLY A 35 46.805 16.466 -36.185 1.00 0.00 H new ATOM 0 HA2 GLY A 35 48.884 14.725 -35.671 1.00 0.00 H new ATOM 0 HA3 GLY A 35 48.940 15.890 -34.363 1.00 0.00 H new ATOM 513 N VAL A 36 47.028 14.930 -33.109 1.00 0.00 N ATOM 514 CA VAL A 36 45.978 14.289 -32.328 1.00 0.00 C ATOM 515 C VAL A 36 45.463 15.215 -31.230 1.00 0.00 C ATOM 516 O VAL A 36 46.216 15.625 -30.348 1.00 0.00 O ATOM 517 CB VAL A 36 46.473 12.979 -31.686 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.454 12.453 -30.687 1.00 0.00 C ATOM 519 CG2 VAL A 36 46.767 11.939 -32.757 1.00 0.00 C ATOM 0 H VAL A 36 47.641 15.542 -32.571 1.00 0.00 H new ATOM 0 HA VAL A 36 45.167 14.063 -33.020 1.00 0.00 H new ATOM 0 HB VAL A 36 47.398 13.187 -31.148 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.822 11.527 -30.245 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.298 13.193 -29.902 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.510 12.261 -31.197 1.00 0.00 H new ATOM 0 HG21 VAL A 36 47.116 11.020 -32.286 1.00 0.00 H new ATOM 0 HG22 VAL A 36 45.859 11.734 -33.324 1.00 0.00 H new ATOM 0 HG23 VAL A 36 47.537 12.317 -33.429 1.00 0.00 H new ATOM 529 N SER A 37 44.176 15.537 -31.293 1.00 0.00 N ATOM 530 CA SER A 37 43.558 16.412 -30.304 1.00 0.00 C ATOM 531 C SER A 37 42.435 15.685 -29.570 1.00 0.00 C ATOM 532 O SER A 37 41.416 15.335 -30.165 1.00 0.00 O ATOM 533 CB SER A 37 43.014 17.674 -30.976 1.00 0.00 C ATOM 534 OG SER A 37 42.424 18.545 -30.026 1.00 0.00 O ATOM 0 H SER A 37 43.540 15.205 -32.018 1.00 0.00 H new ATOM 0 HA SER A 37 44.319 16.699 -29.578 1.00 0.00 H new ATOM 0 HB2 SER A 37 43.822 18.190 -31.495 1.00 0.00 H new ATOM 0 HB3 SER A 37 42.276 17.399 -31.729 1.00 0.00 H new ATOM 0 HG SER A 37 42.086 19.344 -30.481 1.00 0.00 H new ATOM 540 N CYS A 38 42.631 15.457 -28.275 1.00 0.00 N ATOM 541 CA CYS A 38 41.634 14.767 -27.465 1.00 0.00 C ATOM 542 C CYS A 38 40.928 15.735 -26.523 1.00 0.00 C ATOM 543 O CYS A 38 41.228 16.928 -26.503 1.00 0.00 O ATOM 544 CB CYS A 38 42.293 13.646 -26.660 1.00 0.00 C ATOM 545 SG CYS A 38 43.621 12.776 -27.547 1.00 0.00 S ATOM 0 H CYS A 38 43.468 15.739 -27.766 1.00 0.00 H new ATOM 0 HA CYS A 38 40.891 14.339 -28.137 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.700 14.065 -25.740 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.530 12.923 -26.371 1.00 0.00 H new ATOM 550 N GLN A 39 39.990 15.210 -25.742 1.00 0.00 N ATOM 551 CA GLN A 39 39.242 16.025 -24.794 1.00 0.00 C ATOM 552 C GLN A 39 38.952 15.249 -23.515 1.00 0.00 C ATOM 553 O GLN A 39 38.011 14.456 -23.459 1.00 0.00 O ATOM 554 CB GLN A 39 37.932 16.501 -25.422 1.00 0.00 C ATOM 555 CG GLN A 39 38.106 17.665 -26.382 1.00 0.00 C ATOM 556 CD GLN A 39 37.330 17.476 -27.670 1.00 0.00 C ATOM 557 OE1 GLN A 39 36.648 18.389 -28.138 1.00 0.00 O ATOM 558 NE2 GLN A 39 37.429 16.286 -28.250 1.00 0.00 N ATOM 0 H GLN A 39 39.730 14.224 -25.747 1.00 0.00 H new ATOM 0 HA GLN A 39 39.853 16.891 -24.540 1.00 0.00 H new ATOM 0 HB2 GLN A 39 37.470 15.669 -25.953 1.00 0.00 H new ATOM 0 HB3 GLN A 39 37.244 16.795 -24.629 1.00 0.00 H new ATOM 0 HG2 GLN A 39 37.779 18.584 -25.896 1.00 0.00 H new ATOM 0 HG3 GLN A 39 39.164 17.786 -26.614 1.00 0.00 H new ATOM 0 HE21 GLN A 39 38.006 15.559 -27.827 1.00 0.00 H new ATOM 0 HE22 GLN A 39 36.928 16.099 -29.119 1.00 0.00 H new ATOM 636 N GLN A 45 31.477 24.101 -24.386 1.00 0.00 N ATOM 637 CA GLN A 45 30.412 25.098 -24.416 1.00 0.00 C ATOM 638 C GLN A 45 29.432 24.815 -25.551 1.00 0.00 C ATOM 639 O GLN A 45 29.667 23.941 -26.385 1.00 0.00 O ATOM 640 CB GLN A 45 31.003 26.500 -24.572 1.00 0.00 C ATOM 641 CG GLN A 45 32.031 26.852 -23.509 1.00 0.00 C ATOM 642 CD GLN A 45 31.465 27.755 -22.429 1.00 0.00 C ATOM 643 OE1 GLN A 45 32.097 28.731 -22.027 1.00 0.00 O ATOM 644 NE2 GLN A 45 30.267 27.430 -21.956 1.00 0.00 N ATOM 0 HA GLN A 45 29.870 25.043 -23.472 1.00 0.00 H new ATOM 0 HB2 GLN A 45 31.467 26.582 -25.555 1.00 0.00 H new ATOM 0 HB3 GLN A 45 30.195 27.231 -24.539 1.00 0.00 H new ATOM 0 HG2 GLN A 45 32.405 25.936 -23.053 1.00 0.00 H new ATOM 0 HG3 GLN A 45 32.882 27.344 -23.980 1.00 0.00 H new ATOM 0 HE21 GLN A 45 29.780 26.611 -22.320 1.00 0.00 H new ATOM 0 HE22 GLN A 45 29.834 27.999 -21.229 1.00 0.00 H new ATOM 653 N THR A 46 28.332 25.561 -25.576 1.00 0.00 N ATOM 654 CA THR A 46 27.316 25.391 -26.607 1.00 0.00 C ATOM 655 C THR A 46 26.565 26.693 -26.860 1.00 0.00 C ATOM 656 O THR A 46 26.191 27.399 -25.924 1.00 0.00 O ATOM 657 CB THR A 46 26.304 24.295 -26.221 1.00 0.00 C ATOM 658 OG1 THR A 46 26.054 24.333 -24.810 1.00 0.00 O ATOM 659 CG2 THR A 46 26.822 22.921 -26.612 1.00 0.00 C ATOM 0 H THR A 46 28.122 26.289 -24.893 1.00 0.00 H new ATOM 0 HA THR A 46 27.836 25.093 -27.517 1.00 0.00 H new ATOM 0 HB THR A 46 25.375 24.483 -26.759 1.00 0.00 H new ATOM 0 HG1 THR A 46 25.409 23.635 -24.573 1.00 0.00 H new ATOM 0 HG21 THR A 46 26.091 22.163 -26.330 1.00 0.00 H new ATOM 0 HG22 THR A 46 26.984 22.886 -27.689 1.00 0.00 H new ATOM 0 HG23 THR A 46 27.763 22.727 -26.097 1.00 0.00 H new ATOM 667 N TYR A 47 26.346 27.005 -28.134 1.00 0.00 N ATOM 668 CA TYR A 47 25.639 28.222 -28.513 1.00 0.00 C ATOM 669 C TYR A 47 24.829 28.010 -29.788 1.00 0.00 C ATOM 670 O TYR A 47 24.927 26.964 -30.433 1.00 0.00 O ATOM 671 CB TYR A 47 26.629 29.370 -28.712 1.00 0.00 C ATOM 672 CG TYR A 47 27.603 29.138 -29.845 1.00 0.00 C ATOM 673 CD1 TYR A 47 27.240 29.394 -31.161 1.00 0.00 C ATOM 674 CD2 TYR A 47 28.884 28.662 -29.597 1.00 0.00 C ATOM 675 CE1 TYR A 47 28.127 29.182 -32.199 1.00 0.00 C ATOM 676 CE2 TYR A 47 29.777 28.447 -30.630 1.00 0.00 C ATOM 677 CZ TYR A 47 29.393 28.709 -31.929 1.00 0.00 C ATOM 678 OH TYR A 47 30.279 28.496 -32.959 1.00 0.00 O ATOM 0 H TYR A 47 26.649 26.431 -28.921 1.00 0.00 H new ATOM 0 HA TYR A 47 24.952 28.477 -27.706 1.00 0.00 H new ATOM 0 HB2 TYR A 47 26.074 30.289 -28.903 1.00 0.00 H new ATOM 0 HB3 TYR A 47 27.188 29.521 -27.788 1.00 0.00 H new ATOM 0 HD1 TYR A 47 26.249 29.765 -31.376 1.00 0.00 H new ATOM 0 HD2 TYR A 47 29.187 28.457 -28.581 1.00 0.00 H new ATOM 0 HE1 TYR A 47 27.830 29.386 -33.217 1.00 0.00 H new ATOM 0 HE2 TYR A 47 30.770 28.076 -30.421 1.00 0.00 H new ATOM 0 HH TYR A 47 31.127 28.163 -32.598 1.00 0.00 H new ATOM 688 N GLY A 48 24.031 29.009 -30.147 1.00 0.00 N ATOM 689 CA GLY A 48 23.214 28.918 -31.344 1.00 0.00 C ATOM 690 C GLY A 48 22.573 27.556 -31.511 1.00 0.00 C ATOM 691 O GLY A 48 22.197 26.914 -30.531 1.00 0.00 O ATOM 0 H GLY A 48 23.935 29.883 -29.629 1.00 0.00 H new ATOM 0 HA2 GLY A 48 22.435 29.680 -31.306 1.00 0.00 H new ATOM 0 HA3 GLY A 48 23.830 29.135 -32.217 1.00 0.00 H new ATOM 695 N GLY A 49 22.445 27.116 -32.758 1.00 0.00 N ATOM 696 CA GLY A 49 21.841 25.826 -33.031 1.00 0.00 C ATOM 697 C GLY A 49 20.339 25.839 -32.830 1.00 0.00 C ATOM 698 O GLY A 49 19.731 26.904 -32.716 1.00 0.00 O ATOM 0 H GLY A 49 22.749 27.630 -33.585 1.00 0.00 H new ATOM 0 HA2 GLY A 49 22.065 25.532 -34.056 1.00 0.00 H new ATOM 0 HA3 GLY A 49 22.286 25.074 -32.379 1.00 0.00 H new ATOM 702 N ASN A 50 19.739 24.655 -32.783 1.00 0.00 N ATOM 703 CA ASN A 50 18.297 24.538 -32.592 1.00 0.00 C ATOM 704 C ASN A 50 17.923 24.754 -31.130 1.00 0.00 C ATOM 705 O ASN A 50 16.748 24.908 -30.796 1.00 0.00 O ATOM 706 CB ASN A 50 17.808 23.166 -33.059 1.00 0.00 C ATOM 707 CG ASN A 50 16.497 23.248 -33.817 1.00 0.00 C ATOM 708 OD1 ASN A 50 16.467 23.143 -35.043 1.00 0.00 O ATOM 709 ND2 ASN A 50 15.404 23.437 -33.088 1.00 0.00 N ATOM 0 H ASN A 50 20.227 23.764 -32.874 1.00 0.00 H new ATOM 0 HA ASN A 50 17.813 25.310 -33.190 1.00 0.00 H new ATOM 0 HB2 ASN A 50 18.566 22.711 -33.697 1.00 0.00 H new ATOM 0 HB3 ASN A 50 17.685 22.513 -32.195 1.00 0.00 H new ATOM 0 HD21 ASN A 50 14.493 23.501 -33.542 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.475 23.519 -32.074 1.00 0.00 H new ATOM 716 N SER A 51 18.929 24.761 -30.260 1.00 0.00 N ATOM 717 CA SER A 51 18.702 24.957 -28.833 1.00 0.00 C ATOM 718 C SER A 51 19.260 26.299 -28.367 1.00 0.00 C ATOM 719 O SER A 51 18.976 26.748 -27.257 1.00 0.00 O ATOM 720 CB SER A 51 19.342 23.820 -28.033 1.00 0.00 C ATOM 721 OG SER A 51 18.368 23.113 -27.284 1.00 0.00 O ATOM 0 H SER A 51 19.907 24.633 -30.518 1.00 0.00 H new ATOM 0 HA SER A 51 17.626 24.955 -28.660 1.00 0.00 H new ATOM 0 HB2 SER A 51 19.851 23.135 -28.711 1.00 0.00 H new ATOM 0 HB3 SER A 51 20.099 24.225 -27.361 1.00 0.00 H new ATOM 0 HG SER A 51 17.899 22.482 -27.870 1.00 0.00 H new ATOM 727 N ASN A 52 20.056 26.936 -29.221 1.00 0.00 N ATOM 728 CA ASN A 52 20.651 28.226 -28.893 1.00 0.00 C ATOM 729 C ASN A 52 21.650 28.087 -27.748 1.00 0.00 C ATOM 730 O ASN A 52 22.087 29.082 -27.169 1.00 0.00 O ATOM 731 CB ASN A 52 19.562 29.231 -28.520 1.00 0.00 C ATOM 732 CG ASN A 52 20.133 30.534 -27.994 1.00 0.00 C ATOM 733 OD1 ASN A 52 20.062 30.819 -26.798 1.00 0.00 O ATOM 734 ND2 ASN A 52 20.704 31.333 -28.888 1.00 0.00 N ATOM 0 H ASN A 52 20.303 26.580 -30.144 1.00 0.00 H new ATOM 0 HA ASN A 52 21.183 28.589 -29.772 1.00 0.00 H new ATOM 0 HB2 ASN A 52 18.945 29.435 -29.395 1.00 0.00 H new ATOM 0 HB3 ASN A 52 18.910 28.792 -27.765 1.00 0.00 H new ATOM 0 HD21 ASN A 52 21.106 32.223 -28.593 1.00 0.00 H new ATOM 0 HD22 ASN A 52 20.741 31.057 -29.869 1.00 0.00 H new ATOM 741 N GLY A 53 22.006 26.848 -27.427 1.00 0.00 N ATOM 742 CA GLY A 53 22.949 26.603 -26.352 1.00 0.00 C ATOM 743 C GLY A 53 22.298 25.961 -25.143 1.00 0.00 C ATOM 744 O GLY A 53 22.255 26.552 -24.065 1.00 0.00 O ATOM 0 H GLY A 53 21.658 26.009 -27.892 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.749 25.958 -26.715 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.409 27.545 -26.055 1.00 0.00 H new ATOM 748 N GLU A 54 21.789 24.746 -25.323 1.00 0.00 N ATOM 749 CA GLU A 54 21.136 24.023 -24.238 1.00 0.00 C ATOM 750 C GLU A 54 21.846 22.704 -23.959 1.00 0.00 C ATOM 751 O GLU A 54 22.671 22.249 -24.752 1.00 0.00 O ATOM 752 CB GLU A 54 19.669 23.761 -24.583 1.00 0.00 C ATOM 753 CG GLU A 54 18.777 24.980 -24.420 1.00 0.00 C ATOM 754 CD GLU A 54 19.210 25.875 -23.274 1.00 0.00 C ATOM 755 OE1 GLU A 54 19.411 25.352 -22.158 1.00 0.00 O ATOM 756 OE2 GLU A 54 19.348 27.096 -23.493 1.00 0.00 O ATOM 0 H GLU A 54 21.816 24.242 -26.209 1.00 0.00 H new ATOM 0 HA GLU A 54 21.188 24.640 -23.341 1.00 0.00 H new ATOM 0 HB2 GLU A 54 19.604 23.409 -25.613 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.293 22.959 -23.948 1.00 0.00 H new ATOM 0 HG2 GLU A 54 18.782 25.555 -25.346 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.750 24.654 -24.253 1.00 0.00 H new ATOM 763 N PRO A 55 21.529 22.071 -22.821 1.00 0.00 N ATOM 764 CA PRO A 55 22.133 20.795 -22.429 1.00 0.00 C ATOM 765 C PRO A 55 22.018 19.744 -23.527 1.00 0.00 C ATOM 766 O PRO A 55 20.927 19.473 -24.028 1.00 0.00 O ATOM 767 CB PRO A 55 21.320 20.375 -21.202 1.00 0.00 C ATOM 768 CG PRO A 55 20.783 21.650 -20.648 1.00 0.00 C ATOM 769 CD PRO A 55 20.553 22.553 -21.829 1.00 0.00 C ATOM 0 HA PRO A 55 23.201 20.892 -22.234 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.515 19.692 -21.475 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.943 19.858 -20.472 1.00 0.00 H new ATOM 0 HG2 PRO A 55 19.855 21.478 -20.102 1.00 0.00 H new ATOM 0 HG3 PRO A 55 21.487 22.097 -19.946 1.00 0.00 H new ATOM 0 HD2 PRO A 55 19.531 22.477 -22.200 1.00 0.00 H new ATOM 0 HD3 PRO A 55 20.722 23.599 -21.574 1.00 0.00 H new ATOM 777 N CYS A 56 23.150 19.154 -23.897 1.00 0.00 N ATOM 778 CA CYS A 56 23.173 18.133 -24.937 1.00 0.00 C ATOM 779 C CYS A 56 22.609 16.812 -24.423 1.00 0.00 C ATOM 780 O CYS A 56 22.049 16.749 -23.329 1.00 0.00 O ATOM 781 CB CYS A 56 24.595 17.916 -25.438 1.00 0.00 C ATOM 782 SG CYS A 56 25.222 19.218 -26.536 1.00 0.00 S ATOM 0 H CYS A 56 24.062 19.365 -23.492 1.00 0.00 H new ATOM 0 HA CYS A 56 22.549 18.484 -25.759 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.260 17.834 -24.578 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.638 16.963 -25.966 1.00 0.00 H new ATOM 787 N VAL A 57 22.756 15.759 -25.225 1.00 0.00 N ATOM 788 CA VAL A 57 22.259 14.444 -24.850 1.00 0.00 C ATOM 789 C VAL A 57 23.076 13.326 -25.494 1.00 0.00 C ATOM 790 O VAL A 57 22.523 12.457 -26.170 1.00 0.00 O ATOM 791 CB VAL A 57 20.784 14.276 -25.255 1.00 0.00 C ATOM 792 CG1 VAL A 57 20.655 14.179 -26.767 1.00 0.00 C ATOM 793 CG2 VAL A 57 20.180 13.054 -24.582 1.00 0.00 C ATOM 0 H VAL A 57 23.214 15.794 -26.135 1.00 0.00 H new ATOM 0 HA VAL A 57 22.353 14.372 -23.766 1.00 0.00 H new ATOM 0 HB VAL A 57 20.232 15.155 -24.921 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.605 14.061 -27.036 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.046 15.088 -27.225 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.221 13.319 -27.126 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.137 12.952 -24.881 1.00 0.00 H new ATOM 0 HG22 VAL A 57 20.732 12.163 -24.882 1.00 0.00 H new ATOM 0 HG23 VAL A 57 20.238 13.169 -23.500 1.00 0.00 H new ATOM 803 N LEU A 58 24.389 13.337 -25.273 1.00 0.00 N ATOM 804 CA LEU A 58 25.257 12.299 -25.833 1.00 0.00 C ATOM 805 C LEU A 58 25.516 11.205 -24.803 1.00 0.00 C ATOM 806 O LEU A 58 25.245 11.381 -23.615 1.00 0.00 O ATOM 807 CB LEU A 58 26.595 12.873 -26.326 1.00 0.00 C ATOM 808 CG LEU A 58 27.051 14.181 -25.681 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.134 15.318 -26.074 1.00 0.00 C ATOM 810 CD2 LEU A 58 27.118 14.041 -24.169 1.00 0.00 C ATOM 0 H LEU A 58 24.872 14.043 -24.718 1.00 0.00 H new ATOM 0 HA LEU A 58 24.736 11.874 -26.691 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.369 12.123 -26.163 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.524 13.029 -27.402 1.00 0.00 H new ATOM 0 HG LEU A 58 28.053 14.410 -26.045 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.476 16.240 -25.604 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.145 15.437 -27.157 1.00 0.00 H new ATOM 0 HD13 LEU A 58 25.119 15.097 -25.744 1.00 0.00 H new ATOM 0 HD21 LEU A 58 27.445 14.984 -23.730 1.00 0.00 H new ATOM 0 HD22 LEU A 58 26.131 13.784 -23.783 1.00 0.00 H new ATOM 0 HD23 LEU A 58 27.826 13.255 -23.907 1.00 0.00 H new ATOM 822 N PRO A 59 26.043 10.056 -25.249 1.00 0.00 N ATOM 823 CA PRO A 59 26.375 9.823 -26.660 1.00 0.00 C ATOM 824 C PRO A 59 25.144 9.725 -27.553 1.00 0.00 C ATOM 825 O PRO A 59 24.265 8.895 -27.323 1.00 0.00 O ATOM 826 CB PRO A 59 27.103 8.477 -26.642 1.00 0.00 C ATOM 827 CG PRO A 59 26.628 7.799 -25.404 1.00 0.00 C ATOM 828 CD PRO A 59 26.361 8.891 -24.406 1.00 0.00 C ATOM 0 HA PRO A 59 26.961 10.647 -27.066 1.00 0.00 H new ATOM 0 HB2 PRO A 59 26.868 7.889 -27.529 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.184 8.613 -26.627 1.00 0.00 H new ATOM 0 HG2 PRO A 59 25.725 7.220 -25.599 1.00 0.00 H new ATOM 0 HG3 PRO A 59 27.378 7.103 -25.029 1.00 0.00 H new ATOM 0 HD2 PRO A 59 25.533 8.636 -23.744 1.00 0.00 H new ATOM 0 HD3 PRO A 59 27.229 9.078 -23.774 1.00 0.00 H new ATOM 836 N PHE A 60 25.100 10.555 -28.591 1.00 0.00 N ATOM 837 CA PHE A 60 23.987 10.526 -29.530 1.00 0.00 C ATOM 838 C PHE A 60 24.415 9.815 -30.807 1.00 0.00 C ATOM 839 O PHE A 60 25.592 9.510 -30.984 1.00 0.00 O ATOM 840 CB PHE A 60 23.484 11.938 -29.849 1.00 0.00 C ATOM 841 CG PHE A 60 24.571 12.951 -30.066 1.00 0.00 C ATOM 842 CD1 PHE A 60 25.137 13.120 -31.319 1.00 0.00 C ATOM 843 CD2 PHE A 60 25.012 13.748 -29.022 1.00 0.00 C ATOM 844 CE1 PHE A 60 26.123 14.068 -31.527 1.00 0.00 C ATOM 845 CE2 PHE A 60 26.000 14.694 -29.222 1.00 0.00 C ATOM 846 CZ PHE A 60 26.555 14.856 -30.476 1.00 0.00 C ATOM 0 H PHE A 60 25.816 11.250 -28.801 1.00 0.00 H new ATOM 0 HA PHE A 60 23.164 9.981 -29.068 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.861 11.895 -30.742 1.00 0.00 H new ATOM 0 HB3 PHE A 60 22.847 12.277 -29.032 1.00 0.00 H new ATOM 0 HD1 PHE A 60 24.805 12.505 -32.142 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.579 13.629 -28.040 1.00 0.00 H new ATOM 0 HE1 PHE A 60 26.555 14.192 -32.509 1.00 0.00 H new ATOM 0 HE2 PHE A 60 26.337 15.306 -28.398 1.00 0.00 H new ATOM 0 HZ PHE A 60 27.325 15.597 -30.636 1.00 0.00 H new ATOM 856 N THR A 61 23.465 9.541 -31.691 1.00 0.00 N ATOM 857 CA THR A 61 23.779 8.851 -32.935 1.00 0.00 C ATOM 858 C THR A 61 23.427 9.691 -34.154 1.00 0.00 C ATOM 859 O THR A 61 22.318 10.211 -34.264 1.00 0.00 O ATOM 860 CB THR A 61 23.043 7.502 -33.037 1.00 0.00 C ATOM 861 OG1 THR A 61 22.543 7.116 -31.752 1.00 0.00 O ATOM 862 CG2 THR A 61 23.971 6.422 -33.573 1.00 0.00 C ATOM 0 H THR A 61 22.481 9.783 -31.572 1.00 0.00 H new ATOM 0 HA THR A 61 24.855 8.677 -32.919 1.00 0.00 H new ATOM 0 HB THR A 61 22.208 7.619 -33.728 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.075 6.258 -31.827 1.00 0.00 H new ATOM 0 HG21 THR A 61 23.431 5.477 -33.637 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.325 6.706 -34.564 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.823 6.308 -32.902 1.00 0.00 H new ATOM 870 N TYR A 62 24.379 9.810 -35.071 1.00 0.00 N ATOM 871 CA TYR A 62 24.168 10.576 -36.290 1.00 0.00 C ATOM 872 C TYR A 62 24.491 9.739 -37.522 1.00 0.00 C ATOM 873 O TYR A 62 25.623 9.292 -37.707 1.00 0.00 O ATOM 874 CB TYR A 62 25.016 11.847 -36.286 1.00 0.00 C ATOM 875 CG TYR A 62 24.862 12.679 -37.538 1.00 0.00 C ATOM 876 CD1 TYR A 62 23.659 12.707 -38.233 1.00 0.00 C ATOM 877 CD2 TYR A 62 25.921 13.433 -38.029 1.00 0.00 C ATOM 878 CE1 TYR A 62 23.517 13.463 -39.380 1.00 0.00 C ATOM 879 CE2 TYR A 62 25.785 14.191 -39.175 1.00 0.00 C ATOM 880 CZ TYR A 62 24.582 14.204 -39.848 1.00 0.00 C ATOM 881 OH TYR A 62 24.444 14.957 -40.989 1.00 0.00 O ATOM 0 H TYR A 62 25.303 9.386 -34.993 1.00 0.00 H new ATOM 0 HA TYR A 62 23.116 10.857 -36.327 1.00 0.00 H new ATOM 0 HB2 TYR A 62 24.744 12.453 -35.421 1.00 0.00 H new ATOM 0 HB3 TYR A 62 26.065 11.574 -36.167 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.822 12.129 -37.871 1.00 0.00 H new ATOM 0 HD2 TYR A 62 26.866 13.426 -37.506 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.575 13.474 -39.909 1.00 0.00 H new ATOM 0 HE2 TYR A 62 26.618 14.772 -39.543 1.00 0.00 H new ATOM 0 HH TYR A 62 23.513 15.252 -41.076 1.00 0.00 H new ATOM 891 N ASN A 63 23.481 9.539 -38.359 1.00 0.00 N ATOM 892 CA ASN A 63 23.622 8.768 -39.588 1.00 0.00 C ATOM 893 C ASN A 63 24.299 7.413 -39.360 1.00 0.00 C ATOM 894 O ASN A 63 24.743 6.775 -40.314 1.00 0.00 O ATOM 895 CB ASN A 63 24.388 9.573 -40.641 1.00 0.00 C ATOM 896 CG ASN A 63 25.649 10.201 -40.090 1.00 0.00 C ATOM 897 OD1 ASN A 63 25.682 11.393 -39.786 1.00 0.00 O ATOM 898 ND2 ASN A 63 26.696 9.398 -39.960 1.00 0.00 N ATOM 0 H ASN A 63 22.542 9.906 -38.205 1.00 0.00 H new ATOM 0 HA ASN A 63 22.614 8.565 -39.950 1.00 0.00 H new ATOM 0 HB2 ASN A 63 24.646 8.920 -41.475 1.00 0.00 H new ATOM 0 HB3 ASN A 63 23.740 10.355 -41.037 1.00 0.00 H new ATOM 0 HD21 ASN A 63 27.576 9.762 -39.595 1.00 0.00 H new ATOM 0 HD22 ASN A 63 26.622 8.416 -40.225 1.00 0.00 H new ATOM 905 N GLY A 64 24.350 6.954 -38.109 1.00 0.00 N ATOM 906 CA GLY A 64 24.948 5.655 -37.841 1.00 0.00 C ATOM 907 C GLY A 64 26.011 5.650 -36.754 1.00 0.00 C ATOM 908 O GLY A 64 26.124 4.677 -36.008 1.00 0.00 O ATOM 0 H GLY A 64 23.995 7.448 -37.290 1.00 0.00 H new ATOM 0 HA2 GLY A 64 24.158 4.959 -37.559 1.00 0.00 H new ATOM 0 HA3 GLY A 64 25.391 5.278 -38.763 1.00 0.00 H new ATOM 912 N ARG A 65 26.808 6.708 -36.668 1.00 0.00 N ATOM 913 CA ARG A 65 27.872 6.761 -35.666 1.00 0.00 C ATOM 914 C ARG A 65 27.398 7.392 -34.361 1.00 0.00 C ATOM 915 O ARG A 65 26.202 7.575 -34.143 1.00 0.00 O ATOM 916 CB ARG A 65 29.096 7.508 -36.203 1.00 0.00 C ATOM 917 CG ARG A 65 28.912 9.010 -36.314 1.00 0.00 C ATOM 918 CD ARG A 65 29.727 9.574 -37.465 1.00 0.00 C ATOM 919 NE ARG A 65 29.358 8.961 -38.731 1.00 0.00 N ATOM 920 CZ ARG A 65 29.984 9.197 -39.880 1.00 0.00 C ATOM 921 NH1 ARG A 65 31.014 10.030 -39.919 1.00 0.00 N ATOM 922 NH2 ARG A 65 29.580 8.597 -40.993 1.00 0.00 N ATOM 0 H ARG A 65 26.743 7.530 -37.268 1.00 0.00 H new ATOM 0 HA ARG A 65 28.156 5.731 -35.452 1.00 0.00 H new ATOM 0 HB2 ARG A 65 29.946 7.305 -35.551 1.00 0.00 H new ATOM 0 HB3 ARG A 65 29.347 7.111 -37.187 1.00 0.00 H new ATOM 0 HG2 ARG A 65 27.857 9.241 -36.463 1.00 0.00 H new ATOM 0 HG3 ARG A 65 29.214 9.487 -35.382 1.00 0.00 H new ATOM 0 HD2 ARG A 65 29.577 10.652 -37.524 1.00 0.00 H new ATOM 0 HD3 ARG A 65 30.788 9.410 -37.276 1.00 0.00 H new ATOM 0 HE ARG A 65 28.572 8.311 -38.738 1.00 0.00 H new ATOM 0 HH11 ARG A 65 31.329 10.492 -39.066 1.00 0.00 H new ATOM 0 HH12 ARG A 65 31.492 10.209 -40.802 1.00 0.00 H new ATOM 0 HH21 ARG A 65 28.789 7.954 -40.967 1.00 0.00 H new ATOM 0 HH22 ARG A 65 30.061 8.779 -41.874 1.00 0.00 H new ATOM 936 N THR A 66 28.352 7.705 -33.489 1.00 0.00 N ATOM 937 CA THR A 66 28.043 8.296 -32.193 1.00 0.00 C ATOM 938 C THR A 66 29.033 9.399 -31.833 1.00 0.00 C ATOM 939 O THR A 66 30.158 9.427 -32.331 1.00 0.00 O ATOM 940 CB THR A 66 28.060 7.229 -31.079 1.00 0.00 C ATOM 941 OG1 THR A 66 27.251 6.111 -31.459 1.00 0.00 O ATOM 942 CG2 THR A 66 27.555 7.803 -29.763 1.00 0.00 C ATOM 0 H THR A 66 29.347 7.558 -33.658 1.00 0.00 H new ATOM 0 HA THR A 66 27.044 8.724 -32.272 1.00 0.00 H new ATOM 0 HB THR A 66 29.091 6.902 -30.939 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.268 5.438 -30.747 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.578 7.029 -28.996 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.193 8.633 -29.460 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.532 8.158 -29.890 1.00 0.00 H new ATOM 950 N PHE A 67 28.602 10.307 -30.963 1.00 0.00 N ATOM 951 CA PHE A 67 29.446 11.417 -30.529 1.00 0.00 C ATOM 952 C PHE A 67 29.233 11.717 -29.048 1.00 0.00 C ATOM 953 O PHE A 67 28.104 11.695 -28.554 1.00 0.00 O ATOM 954 CB PHE A 67 29.155 12.664 -31.367 1.00 0.00 C ATOM 955 CG PHE A 67 28.917 12.362 -32.817 1.00 0.00 C ATOM 956 CD1 PHE A 67 27.866 11.547 -33.201 1.00 0.00 C ATOM 957 CD2 PHE A 67 29.748 12.885 -33.795 1.00 0.00 C ATOM 958 CE1 PHE A 67 27.645 11.260 -34.531 1.00 0.00 C ATOM 959 CE2 PHE A 67 29.530 12.601 -35.129 1.00 0.00 C ATOM 960 CZ PHE A 67 28.478 11.786 -35.497 1.00 0.00 C ATOM 0 H PHE A 67 27.672 10.297 -30.544 1.00 0.00 H new ATOM 0 HA PHE A 67 30.487 11.129 -30.673 1.00 0.00 H new ATOM 0 HB2 PHE A 67 28.280 13.171 -30.960 1.00 0.00 H new ATOM 0 HB3 PHE A 67 29.993 13.356 -31.280 1.00 0.00 H new ATOM 0 HD1 PHE A 67 27.211 11.131 -32.450 1.00 0.00 H new ATOM 0 HD2 PHE A 67 30.574 13.521 -33.511 1.00 0.00 H new ATOM 0 HE1 PHE A 67 26.820 10.624 -34.817 1.00 0.00 H new ATOM 0 HE2 PHE A 67 30.182 13.016 -35.884 1.00 0.00 H new ATOM 0 HZ PHE A 67 28.307 11.561 -36.539 1.00 0.00 H new ATOM 970 N TYR A 68 30.329 11.991 -28.346 1.00 0.00 N ATOM 971 CA TYR A 68 30.277 12.292 -26.919 1.00 0.00 C ATOM 972 C TYR A 68 30.304 13.796 -26.673 1.00 0.00 C ATOM 973 O TYR A 68 30.748 14.255 -25.620 1.00 0.00 O ATOM 974 CB TYR A 68 31.449 11.620 -26.202 1.00 0.00 C ATOM 975 CG TYR A 68 31.526 10.134 -26.461 1.00 0.00 C ATOM 976 CD1 TYR A 68 30.388 9.348 -26.384 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.728 9.521 -26.791 1.00 0.00 C ATOM 978 CE1 TYR A 68 30.439 7.988 -26.626 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.789 8.162 -27.037 1.00 0.00 C ATOM 980 CZ TYR A 68 31.643 7.400 -26.953 1.00 0.00 C ATOM 981 OH TYR A 68 31.700 6.048 -27.198 1.00 0.00 O ATOM 0 H TYR A 68 31.268 12.011 -28.745 1.00 0.00 H new ATOM 0 HA TYR A 68 29.340 11.902 -26.522 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.380 12.088 -26.522 1.00 0.00 H new ATOM 0 HB3 TYR A 68 31.358 11.792 -25.129 1.00 0.00 H new ATOM 0 HD1 TYR A 68 29.444 9.806 -26.130 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.628 10.115 -26.856 1.00 0.00 H new ATOM 0 HE1 TYR A 68 29.542 7.390 -26.559 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.730 7.699 -27.294 1.00 0.00 H new ATOM 0 HH TYR A 68 32.621 5.794 -27.416 1.00 0.00 H new ATOM 991 N SER A 69 29.827 14.558 -27.651 1.00 0.00 N ATOM 992 CA SER A 69 29.795 16.012 -27.544 1.00 0.00 C ATOM 993 C SER A 69 29.694 16.652 -28.925 1.00 0.00 C ATOM 994 O SER A 69 29.383 15.982 -29.910 1.00 0.00 O ATOM 995 CB SER A 69 31.045 16.518 -26.824 1.00 0.00 C ATOM 996 OG SER A 69 30.730 16.987 -25.524 1.00 0.00 O ATOM 0 H SER A 69 29.457 14.192 -28.528 1.00 0.00 H new ATOM 0 HA SER A 69 28.915 16.293 -26.966 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.780 15.715 -26.756 1.00 0.00 H new ATOM 0 HB3 SER A 69 31.502 17.321 -27.403 1.00 0.00 H new ATOM 0 HG SER A 69 30.598 16.224 -24.924 1.00 0.00 H new ATOM 1002 N CYS A 70 29.961 17.953 -28.991 1.00 0.00 N ATOM 1003 CA CYS A 70 29.903 18.681 -30.252 1.00 0.00 C ATOM 1004 C CYS A 70 30.722 17.971 -31.323 1.00 0.00 C ATOM 1005 O CYS A 70 31.650 17.224 -31.014 1.00 0.00 O ATOM 1006 CB CYS A 70 30.412 20.111 -30.063 1.00 0.00 C ATOM 1007 SG CYS A 70 29.880 20.893 -28.505 1.00 0.00 S ATOM 0 H CYS A 70 30.219 18.523 -28.186 1.00 0.00 H new ATOM 0 HA CYS A 70 28.864 18.716 -30.579 1.00 0.00 H new ATOM 0 HB2 CYS A 70 31.501 20.105 -30.100 1.00 0.00 H new ATOM 0 HB3 CYS A 70 30.068 20.721 -30.899 1.00 0.00 H new ATOM 1012 N THR A 71 30.372 18.206 -32.582 1.00 0.00 N ATOM 1013 CA THR A 71 31.076 17.585 -33.696 1.00 0.00 C ATOM 1014 C THR A 71 30.686 18.228 -35.021 1.00 0.00 C ATOM 1015 O THR A 71 29.633 18.855 -35.133 1.00 0.00 O ATOM 1016 CB THR A 71 30.787 16.075 -33.774 1.00 0.00 C ATOM 1017 OG1 THR A 71 31.572 15.478 -34.814 1.00 0.00 O ATOM 1018 CG2 THR A 71 29.309 15.821 -34.041 1.00 0.00 C ATOM 0 H THR A 71 29.606 18.821 -32.856 1.00 0.00 H new ATOM 0 HA THR A 71 32.140 17.737 -33.517 1.00 0.00 H new ATOM 0 HB THR A 71 31.052 15.627 -32.816 1.00 0.00 H new ATOM 0 HG1 THR A 71 31.240 14.574 -34.997 1.00 0.00 H new ATOM 0 HG21 THR A 71 29.128 14.747 -34.092 1.00 0.00 H new ATOM 0 HG22 THR A 71 28.714 16.251 -33.235 1.00 0.00 H new ATOM 0 HG23 THR A 71 29.026 16.282 -34.987 1.00 0.00 H new ATOM 1026 N THR A 72 31.540 18.062 -36.023 1.00 0.00 N ATOM 1027 CA THR A 72 31.283 18.617 -37.345 1.00 0.00 C ATOM 1028 C THR A 72 31.286 17.519 -38.403 1.00 0.00 C ATOM 1029 O THR A 72 32.206 17.432 -39.217 1.00 0.00 O ATOM 1030 CB THR A 72 32.329 19.684 -37.723 1.00 0.00 C ATOM 1031 OG1 THR A 72 33.544 19.455 -36.998 1.00 0.00 O ATOM 1032 CG2 THR A 72 31.810 21.082 -37.424 1.00 0.00 C ATOM 0 H THR A 72 32.417 17.547 -35.945 1.00 0.00 H new ATOM 0 HA THR A 72 30.300 19.086 -37.309 1.00 0.00 H new ATOM 0 HB THR A 72 32.523 19.608 -38.793 1.00 0.00 H new ATOM 0 HG1 THR A 72 34.205 20.135 -37.244 1.00 0.00 H new ATOM 0 HG21 THR A 72 32.566 21.817 -37.699 1.00 0.00 H new ATOM 0 HG22 THR A 72 30.901 21.263 -37.998 1.00 0.00 H new ATOM 0 HG23 THR A 72 31.590 21.169 -36.360 1.00 0.00 H new ATOM 1040 N GLU A 73 30.258 16.676 -38.377 1.00 0.00 N ATOM 1041 CA GLU A 73 30.150 15.572 -39.326 1.00 0.00 C ATOM 1042 C GLU A 73 28.883 15.675 -40.168 1.00 0.00 C ATOM 1043 O GLU A 73 28.491 14.717 -40.834 1.00 0.00 O ATOM 1044 CB GLU A 73 30.156 14.242 -38.579 1.00 0.00 C ATOM 1045 CG GLU A 73 31.548 13.686 -38.329 1.00 0.00 C ATOM 1046 CD GLU A 73 32.272 13.324 -39.611 1.00 0.00 C ATOM 1047 OE1 GLU A 73 31.847 12.360 -40.281 1.00 0.00 O ATOM 1048 OE2 GLU A 73 33.264 14.006 -39.945 1.00 0.00 O ATOM 0 H GLU A 73 29.489 16.736 -37.710 1.00 0.00 H new ATOM 0 HA GLU A 73 31.008 15.627 -39.996 1.00 0.00 H new ATOM 0 HB2 GLU A 73 29.649 14.371 -37.623 1.00 0.00 H new ATOM 0 HB3 GLU A 73 29.581 13.513 -39.149 1.00 0.00 H new ATOM 0 HG2 GLU A 73 32.136 14.422 -37.780 1.00 0.00 H new ATOM 0 HG3 GLU A 73 31.473 12.801 -37.696 1.00 0.00 H new ATOM 1055 N GLY A 74 28.246 16.836 -40.134 1.00 0.00 N ATOM 1056 CA GLY A 74 27.029 17.031 -40.901 1.00 0.00 C ATOM 1057 C GLY A 74 26.429 18.410 -40.715 1.00 0.00 C ATOM 1058 O GLY A 74 25.363 18.555 -40.117 1.00 0.00 O ATOM 0 H GLY A 74 28.547 17.645 -39.591 1.00 0.00 H new ATOM 0 HA2 GLY A 74 27.243 16.873 -41.958 1.00 0.00 H new ATOM 0 HA3 GLY A 74 26.296 16.279 -40.608 1.00 0.00 H new ATOM 1122 N HIS A 79 30.858 24.361 -38.318 1.00 0.00 N ATOM 1123 CA HIS A 79 30.794 24.676 -36.896 1.00 0.00 C ATOM 1124 C HIS A 79 30.466 23.435 -36.072 1.00 0.00 C ATOM 1125 O HIS A 79 29.597 22.644 -36.439 1.00 0.00 O ATOM 1126 CB HIS A 79 29.746 25.761 -36.641 1.00 0.00 C ATOM 1127 CG HIS A 79 29.589 26.719 -37.782 1.00 0.00 C ATOM 1128 ND1 HIS A 79 28.362 27.167 -38.226 1.00 0.00 N ATOM 1129 CD2 HIS A 79 30.514 27.315 -38.571 1.00 0.00 C ATOM 1130 CE1 HIS A 79 28.539 27.997 -39.239 1.00 0.00 C ATOM 1131 NE2 HIS A 79 29.834 28.104 -39.468 1.00 0.00 N ATOM 0 HA HIS A 79 31.773 25.043 -36.589 1.00 0.00 H new ATOM 0 HB2 HIS A 79 28.785 25.287 -36.440 1.00 0.00 H new ATOM 0 HB3 HIS A 79 30.021 26.317 -35.745 1.00 0.00 H new ATOM 0 HD1 HIS A 79 27.459 26.899 -37.834 1.00 0.00 H new ATOM 0 HD2 HIS A 79 31.585 27.193 -38.507 1.00 0.00 H new ATOM 0 HE1 HIS A 79 27.757 28.502 -39.786 1.00 0.00 H new ATOM 1140 N LEU A 80 31.167 23.271 -34.954 1.00 0.00 N ATOM 1141 CA LEU A 80 30.951 22.128 -34.073 1.00 0.00 C ATOM 1142 C LEU A 80 29.518 22.104 -33.557 1.00 0.00 C ATOM 1143 O LEU A 80 29.098 22.999 -32.823 1.00 0.00 O ATOM 1144 CB LEU A 80 31.922 22.179 -32.892 1.00 0.00 C ATOM 1145 CG LEU A 80 33.277 21.515 -33.135 1.00 0.00 C ATOM 1146 CD1 LEU A 80 33.994 22.180 -34.300 1.00 0.00 C ATOM 1147 CD2 LEU A 80 34.130 21.575 -31.878 1.00 0.00 C ATOM 0 H LEU A 80 31.890 23.916 -34.636 1.00 0.00 H new ATOM 0 HA LEU A 80 31.130 21.220 -34.648 1.00 0.00 H new ATOM 0 HB2 LEU A 80 32.089 23.222 -32.625 1.00 0.00 H new ATOM 0 HB3 LEU A 80 31.450 21.702 -32.033 1.00 0.00 H new ATOM 0 HG LEU A 80 33.109 20.468 -33.388 1.00 0.00 H new ATOM 0 HD11 LEU A 80 34.957 21.695 -34.459 1.00 0.00 H new ATOM 0 HD12 LEU A 80 33.388 22.087 -35.201 1.00 0.00 H new ATOM 0 HD13 LEU A 80 34.152 23.235 -34.076 1.00 0.00 H new ATOM 0 HD21 LEU A 80 35.092 21.098 -32.068 1.00 0.00 H new ATOM 0 HD22 LEU A 80 34.291 22.616 -31.597 1.00 0.00 H new ATOM 0 HD23 LEU A 80 33.620 21.054 -31.067 1.00 0.00 H new ATOM 1159 N TRP A 81 28.773 21.071 -33.935 1.00 0.00 N ATOM 1160 CA TRP A 81 27.389 20.935 -33.497 1.00 0.00 C ATOM 1161 C TRP A 81 27.243 19.769 -32.528 1.00 0.00 C ATOM 1162 O TRP A 81 27.992 18.794 -32.591 1.00 0.00 O ATOM 1163 CB TRP A 81 26.455 20.746 -34.693 1.00 0.00 C ATOM 1164 CG TRP A 81 26.753 19.522 -35.499 1.00 0.00 C ATOM 1165 CD1 TRP A 81 27.524 19.453 -36.622 1.00 0.00 C ATOM 1166 CD2 TRP A 81 26.284 18.191 -35.250 1.00 0.00 C ATOM 1167 NE1 TRP A 81 27.563 18.162 -37.087 1.00 0.00 N ATOM 1168 CE2 TRP A 81 26.811 17.368 -36.262 1.00 0.00 C ATOM 1169 CE3 TRP A 81 25.472 17.615 -34.269 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 26.551 16.001 -36.323 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 25.214 16.257 -34.330 1.00 0.00 C ATOM 1172 CH2 TRP A 81 25.752 15.464 -35.351 1.00 0.00 C ATOM 0 H TRP A 81 29.102 20.319 -34.541 1.00 0.00 H new ATOM 0 HA TRP A 81 27.109 21.854 -32.982 1.00 0.00 H new ATOM 0 HB2 TRP A 81 25.427 20.694 -34.335 1.00 0.00 H new ATOM 0 HB3 TRP A 81 26.524 21.621 -35.339 1.00 0.00 H new ATOM 0 HD1 TRP A 81 28.030 20.291 -37.078 1.00 0.00 H new ATOM 0 HE1 TRP A 81 28.070 17.845 -37.913 1.00 0.00 H new ATOM 0 HE3 TRP A 81 25.053 18.219 -33.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 26.965 15.387 -37.109 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 24.587 15.801 -33.578 1.00 0.00 H new ATOM 0 HH2 TRP A 81 25.532 14.407 -35.372 1.00 0.00 H new ATOM 1183 N CYS A 82 26.278 19.886 -31.626 1.00 0.00 N ATOM 1184 CA CYS A 82 26.029 18.857 -30.628 1.00 0.00 C ATOM 1185 C CYS A 82 24.541 18.514 -30.576 1.00 0.00 C ATOM 1186 O CYS A 82 23.715 19.238 -31.131 1.00 0.00 O ATOM 1187 CB CYS A 82 26.517 19.348 -29.266 1.00 0.00 C ATOM 1188 SG CYS A 82 26.292 18.168 -27.904 1.00 0.00 S ATOM 0 H CYS A 82 25.652 20.689 -31.566 1.00 0.00 H new ATOM 0 HA CYS A 82 26.573 17.952 -30.898 1.00 0.00 H new ATOM 0 HB2 CYS A 82 27.576 19.595 -29.343 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.992 20.271 -29.019 1.00 0.00 H new ATOM 1193 N SER A 83 24.199 17.408 -29.920 1.00 0.00 N ATOM 1194 CA SER A 83 22.804 16.990 -29.826 1.00 0.00 C ATOM 1195 C SER A 83 22.219 17.301 -28.451 1.00 0.00 C ATOM 1196 O SER A 83 22.916 17.241 -27.437 1.00 0.00 O ATOM 1197 CB SER A 83 22.672 15.495 -30.121 1.00 0.00 C ATOM 1198 OG SER A 83 22.655 14.739 -28.925 1.00 0.00 O ATOM 0 H SER A 83 24.861 16.791 -29.450 1.00 0.00 H new ATOM 0 HA SER A 83 22.241 17.554 -30.570 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.757 15.312 -30.684 1.00 0.00 H new ATOM 0 HB3 SER A 83 23.502 15.170 -30.748 1.00 0.00 H new ATOM 0 HG SER A 83 23.510 14.270 -28.822 1.00 0.00 H new ATOM 1204 N THR A 84 20.931 17.631 -28.430 1.00 0.00 N ATOM 1205 CA THR A 84 20.236 17.950 -27.188 1.00 0.00 C ATOM 1206 C THR A 84 19.039 17.027 -26.973 1.00 0.00 C ATOM 1207 O THR A 84 18.569 16.856 -25.848 1.00 0.00 O ATOM 1208 CB THR A 84 19.750 19.412 -27.175 1.00 0.00 C ATOM 1209 OG1 THR A 84 18.829 19.631 -28.251 1.00 0.00 O ATOM 1210 CG2 THR A 84 20.921 20.377 -27.300 1.00 0.00 C ATOM 0 H THR A 84 20.346 17.684 -29.264 1.00 0.00 H new ATOM 0 HA THR A 84 20.953 17.805 -26.380 1.00 0.00 H new ATOM 0 HB THR A 84 19.250 19.595 -26.224 1.00 0.00 H new ATOM 0 HG1 THR A 84 19.124 19.132 -29.041 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.551 21.402 -27.288 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.605 20.229 -26.465 1.00 0.00 H new ATOM 0 HG23 THR A 84 21.447 20.192 -28.237 1.00 0.00 H new ATOM 1218 N THR A 85 18.551 16.433 -28.060 1.00 0.00 N ATOM 1219 CA THR A 85 17.410 15.526 -27.991 1.00 0.00 C ATOM 1220 C THR A 85 17.821 14.108 -28.377 1.00 0.00 C ATOM 1221 O THR A 85 18.566 13.907 -29.335 1.00 0.00 O ATOM 1222 CB THR A 85 16.269 15.992 -28.915 1.00 0.00 C ATOM 1223 OG1 THR A 85 15.661 17.176 -28.385 1.00 0.00 O ATOM 1224 CG2 THR A 85 15.217 14.904 -29.071 1.00 0.00 C ATOM 0 H THR A 85 18.929 16.564 -28.998 1.00 0.00 H new ATOM 0 HA THR A 85 17.055 15.532 -26.961 1.00 0.00 H new ATOM 0 HB THR A 85 16.693 16.208 -29.896 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.690 17.128 -28.507 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.422 15.258 -29.728 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.675 14.014 -29.502 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.799 14.660 -28.095 1.00 0.00 H new ATOM 1232 N SER A 86 17.335 13.130 -27.619 1.00 0.00 N ATOM 1233 CA SER A 86 17.656 11.730 -27.877 1.00 0.00 C ATOM 1234 C SER A 86 17.470 11.384 -29.351 1.00 0.00 C ATOM 1235 O SER A 86 18.255 10.631 -29.925 1.00 0.00 O ATOM 1236 CB SER A 86 16.781 10.820 -27.014 1.00 0.00 C ATOM 1237 OG SER A 86 15.538 10.559 -27.644 1.00 0.00 O ATOM 0 H SER A 86 16.718 13.281 -26.821 1.00 0.00 H new ATOM 0 HA SER A 86 18.703 11.573 -27.619 1.00 0.00 H new ATOM 0 HB2 SER A 86 17.302 9.881 -26.827 1.00 0.00 H new ATOM 0 HB3 SER A 86 16.610 11.288 -26.045 1.00 0.00 H new ATOM 0 HG SER A 86 14.998 9.974 -27.073 1.00 0.00 H new ATOM 1243 N ASN A 87 16.425 11.938 -29.957 1.00 0.00 N ATOM 1244 CA ASN A 87 16.136 11.681 -31.363 1.00 0.00 C ATOM 1245 C ASN A 87 16.327 12.941 -32.202 1.00 0.00 C ATOM 1246 O ASN A 87 15.355 13.562 -32.635 1.00 0.00 O ATOM 1247 CB ASN A 87 14.704 11.165 -31.522 1.00 0.00 C ATOM 1248 CG ASN A 87 14.645 9.844 -32.265 1.00 0.00 C ATOM 1249 OD1 ASN A 87 14.173 8.840 -31.733 1.00 0.00 O ATOM 1250 ND2 ASN A 87 15.125 9.841 -33.503 1.00 0.00 N ATOM 0 H ASN A 87 15.766 12.566 -29.498 1.00 0.00 H new ATOM 0 HA ASN A 87 16.834 10.923 -31.717 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.252 11.045 -30.537 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.111 11.907 -32.057 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.112 8.982 -34.053 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.507 10.698 -33.904 1.00 0.00 H new ATOM 1257 N TYR A 88 17.582 13.310 -32.436 1.00 0.00 N ATOM 1258 CA TYR A 88 17.890 14.492 -33.230 1.00 0.00 C ATOM 1259 C TYR A 88 17.642 14.217 -34.711 1.00 0.00 C ATOM 1260 O TYR A 88 17.559 15.140 -35.520 1.00 0.00 O ATOM 1261 CB TYR A 88 19.345 14.918 -33.010 1.00 0.00 C ATOM 1262 CG TYR A 88 19.942 15.677 -34.174 1.00 0.00 C ATOM 1263 CD1 TYR A 88 20.527 15.002 -35.239 1.00 0.00 C ATOM 1264 CD2 TYR A 88 19.916 17.065 -34.211 1.00 0.00 C ATOM 1265 CE1 TYR A 88 21.069 15.690 -36.307 1.00 0.00 C ATOM 1266 CE2 TYR A 88 20.457 17.759 -35.277 1.00 0.00 C ATOM 1267 CZ TYR A 88 21.032 17.067 -36.321 1.00 0.00 C ATOM 1268 OH TYR A 88 21.571 17.756 -37.384 1.00 0.00 O ATOM 0 H TYR A 88 18.399 12.809 -32.088 1.00 0.00 H new ATOM 0 HA TYR A 88 17.235 15.303 -32.910 1.00 0.00 H new ATOM 0 HB2 TYR A 88 19.401 15.540 -32.116 1.00 0.00 H new ATOM 0 HB3 TYR A 88 19.949 14.031 -32.819 1.00 0.00 H new ATOM 0 HD1 TYR A 88 20.558 13.922 -35.231 1.00 0.00 H new ATOM 0 HD2 TYR A 88 19.466 17.610 -33.395 1.00 0.00 H new ATOM 0 HE1 TYR A 88 21.520 15.151 -37.127 1.00 0.00 H new ATOM 0 HE2 TYR A 88 20.429 18.839 -35.292 1.00 0.00 H new ATOM 0 HH TYR A 88 20.876 18.303 -37.805 1.00 0.00 H new ATOM 1278 N GLU A 89 17.533 12.939 -35.056 1.00 0.00 N ATOM 1279 CA GLU A 89 17.302 12.537 -36.438 1.00 0.00 C ATOM 1280 C GLU A 89 15.852 12.774 -36.846 1.00 0.00 C ATOM 1281 O GLU A 89 15.507 12.672 -38.023 1.00 0.00 O ATOM 1282 CB GLU A 89 17.662 11.063 -36.626 1.00 0.00 C ATOM 1283 CG GLU A 89 19.142 10.770 -36.448 1.00 0.00 C ATOM 1284 CD GLU A 89 20.025 11.812 -37.105 1.00 0.00 C ATOM 1285 OE1 GLU A 89 19.635 12.335 -38.170 1.00 0.00 O ATOM 1286 OE2 GLU A 89 21.107 12.107 -36.553 1.00 0.00 O ATOM 0 H GLU A 89 17.601 12.163 -34.397 1.00 0.00 H new ATOM 0 HA GLU A 89 17.940 13.148 -37.077 1.00 0.00 H new ATOM 0 HB2 GLU A 89 17.094 10.465 -35.913 1.00 0.00 H new ATOM 0 HB3 GLU A 89 17.355 10.747 -37.623 1.00 0.00 H new ATOM 0 HG2 GLU A 89 19.374 10.721 -35.384 1.00 0.00 H new ATOM 0 HG3 GLU A 89 19.368 9.790 -36.869 1.00 0.00 H new ATOM 1293 N GLN A 90 15.006 13.085 -35.870 1.00 0.00 N ATOM 1294 CA GLN A 90 13.592 13.329 -36.140 1.00 0.00 C ATOM 1295 C GLN A 90 13.140 14.673 -35.573 1.00 0.00 C ATOM 1296 O GLN A 90 12.260 15.326 -36.134 1.00 0.00 O ATOM 1297 CB GLN A 90 12.738 12.203 -35.557 1.00 0.00 C ATOM 1298 CG GLN A 90 12.716 12.185 -34.039 1.00 0.00 C ATOM 1299 CD GLN A 90 11.324 11.979 -33.477 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.352 12.553 -33.968 1.00 0.00 O ATOM 1301 NE2 GLN A 90 11.220 11.154 -32.441 1.00 0.00 N ATOM 0 H GLN A 90 15.272 13.174 -34.889 1.00 0.00 H new ATOM 0 HA GLN A 90 13.461 13.356 -37.222 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.717 12.303 -35.926 1.00 0.00 H new ATOM 0 HB3 GLN A 90 13.116 11.247 -35.919 1.00 0.00 H new ATOM 0 HG2 GLN A 90 13.370 11.390 -33.680 1.00 0.00 H new ATOM 0 HG3 GLN A 90 13.120 13.125 -33.663 1.00 0.00 H new ATOM 0 HE21 GLN A 90 12.052 10.699 -32.066 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.308 10.975 -32.021 1.00 0.00 H new ATOM 1310 N ASP A 91 13.741 15.081 -34.460 1.00 0.00 N ATOM 1311 CA ASP A 91 13.390 16.347 -33.825 1.00 0.00 C ATOM 1312 C ASP A 91 14.165 17.506 -34.443 1.00 0.00 C ATOM 1313 O ASP A 91 13.583 18.531 -34.799 1.00 0.00 O ATOM 1314 CB ASP A 91 13.659 16.280 -32.321 1.00 0.00 C ATOM 1315 CG ASP A 91 12.681 15.376 -31.597 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.483 15.726 -31.537 1.00 0.00 O ATOM 1317 OD2 ASP A 91 13.111 14.320 -31.090 1.00 0.00 O ATOM 0 H ASP A 91 14.471 14.555 -33.980 1.00 0.00 H new ATOM 0 HA ASP A 91 12.327 16.521 -33.989 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.674 15.921 -32.152 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.602 17.284 -31.900 1.00 0.00 H new ATOM 1322 N GLN A 92 15.479 17.337 -34.565 1.00 0.00 N ATOM 1323 CA GLN A 92 16.339 18.366 -35.142 1.00 0.00 C ATOM 1324 C GLN A 92 16.825 19.342 -34.074 1.00 0.00 C ATOM 1325 O GLN A 92 17.260 20.451 -34.387 1.00 0.00 O ATOM 1326 CB GLN A 92 15.602 19.126 -36.247 1.00 0.00 C ATOM 1327 CG GLN A 92 16.530 19.797 -37.246 1.00 0.00 C ATOM 1328 CD GLN A 92 17.437 18.808 -37.952 1.00 0.00 C ATOM 1329 OE1 GLN A 92 18.635 18.741 -37.678 1.00 0.00 O ATOM 1330 NE2 GLN A 92 16.869 18.033 -38.869 1.00 0.00 N ATOM 0 H GLN A 92 15.973 16.494 -34.271 1.00 0.00 H new ATOM 0 HA GLN A 92 17.208 17.868 -35.573 1.00 0.00 H new ATOM 0 HB2 GLN A 92 14.948 18.434 -36.779 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.963 19.883 -35.792 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.935 20.332 -37.986 1.00 0.00 H new ATOM 0 HG3 GLN A 92 17.139 20.539 -36.730 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.872 18.122 -39.065 1.00 0.00 H new ATOM 0 HE22 GLN A 92 17.430 17.349 -39.377 1.00 0.00 H new ATOM 1339 N LYS A 93 16.758 18.923 -32.814 1.00 0.00 N ATOM 1340 CA LYS A 93 17.199 19.763 -31.707 1.00 0.00 C ATOM 1341 C LYS A 93 18.694 19.583 -31.464 1.00 0.00 C ATOM 1342 O LYS A 93 19.122 18.586 -30.884 1.00 0.00 O ATOM 1343 CB LYS A 93 16.417 19.426 -30.434 1.00 0.00 C ATOM 1344 CG LYS A 93 15.015 18.904 -30.699 1.00 0.00 C ATOM 1345 CD LYS A 93 14.341 19.660 -31.834 1.00 0.00 C ATOM 1346 CE LYS A 93 12.830 19.690 -31.664 1.00 0.00 C ATOM 1347 NZ LYS A 93 12.129 19.863 -32.966 1.00 0.00 N ATOM 0 H LYS A 93 16.403 18.008 -32.535 1.00 0.00 H new ATOM 0 HA LYS A 93 17.009 20.804 -31.970 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.971 18.680 -29.864 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.351 20.318 -29.812 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.062 17.843 -30.945 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.415 18.995 -29.794 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.724 20.680 -31.871 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.592 19.190 -32.785 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.499 18.764 -31.194 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.556 20.504 -30.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.111 19.693 -32.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.277 20.832 -33.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.508 19.185 -33.657 1.00 0.00 H new ATOM 1361 N TYR A 94 19.484 20.549 -31.922 1.00 0.00 N ATOM 1362 CA TYR A 94 20.932 20.487 -31.764 1.00 0.00 C ATOM 1363 C TYR A 94 21.504 21.831 -31.324 1.00 0.00 C ATOM 1364 O TYR A 94 20.774 22.810 -31.167 1.00 0.00 O ATOM 1365 CB TYR A 94 21.583 20.061 -33.080 1.00 0.00 C ATOM 1366 CG TYR A 94 21.469 21.103 -34.170 1.00 0.00 C ATOM 1367 CD1 TYR A 94 20.356 21.150 -34.999 1.00 0.00 C ATOM 1368 CD2 TYR A 94 22.474 22.041 -34.367 1.00 0.00 C ATOM 1369 CE1 TYR A 94 20.246 22.101 -35.995 1.00 0.00 C ATOM 1370 CE2 TYR A 94 22.372 22.998 -35.362 1.00 0.00 C ATOM 1371 CZ TYR A 94 21.256 23.023 -36.172 1.00 0.00 C ATOM 1372 OH TYR A 94 21.151 23.972 -37.161 1.00 0.00 O ATOM 0 H TYR A 94 19.147 21.382 -32.404 1.00 0.00 H new ATOM 0 HA TYR A 94 21.151 19.753 -30.989 1.00 0.00 H new ATOM 0 HB2 TYR A 94 22.637 19.845 -32.903 1.00 0.00 H new ATOM 0 HB3 TYR A 94 21.121 19.135 -33.423 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.562 20.430 -34.863 1.00 0.00 H new ATOM 0 HD2 TYR A 94 23.349 22.024 -33.734 1.00 0.00 H new ATOM 0 HE1 TYR A 94 19.374 22.122 -36.632 1.00 0.00 H new ATOM 0 HE2 TYR A 94 23.162 23.721 -35.503 1.00 0.00 H new ATOM 0 HH TYR A 94 21.946 24.545 -37.151 1.00 0.00 H new ATOM 1382 N SER A 95 22.819 21.866 -31.134 1.00 0.00 N ATOM 1383 CA SER A 95 23.509 23.082 -30.720 1.00 0.00 C ATOM 1384 C SER A 95 24.846 23.214 -31.446 1.00 0.00 C ATOM 1385 O SER A 95 25.135 22.454 -32.371 1.00 0.00 O ATOM 1386 CB SER A 95 23.735 23.076 -29.207 1.00 0.00 C ATOM 1387 OG SER A 95 23.537 21.780 -28.667 1.00 0.00 O ATOM 0 H SER A 95 23.431 21.060 -31.261 1.00 0.00 H new ATOM 0 HA SER A 95 22.884 23.936 -30.981 1.00 0.00 H new ATOM 0 HB2 SER A 95 24.747 23.415 -28.986 1.00 0.00 H new ATOM 0 HB3 SER A 95 23.052 23.780 -28.731 1.00 0.00 H new ATOM 0 HG SER A 95 23.689 21.802 -27.699 1.00 0.00 H new ATOM 1393 N PHE A 96 25.660 24.176 -31.022 1.00 0.00 N ATOM 1394 CA PHE A 96 26.965 24.394 -31.638 1.00 0.00 C ATOM 1395 C PHE A 96 28.072 24.370 -30.591 1.00 0.00 C ATOM 1396 O PHE A 96 27.821 24.124 -29.411 1.00 0.00 O ATOM 1397 CB PHE A 96 26.986 25.723 -32.393 1.00 0.00 C ATOM 1398 CG PHE A 96 26.592 25.594 -33.837 1.00 0.00 C ATOM 1399 CD1 PHE A 96 27.031 24.519 -34.595 1.00 0.00 C ATOM 1400 CD2 PHE A 96 25.784 26.546 -34.437 1.00 0.00 C ATOM 1401 CE1 PHE A 96 26.669 24.396 -35.922 1.00 0.00 C ATOM 1402 CE2 PHE A 96 25.419 26.429 -35.765 1.00 0.00 C ATOM 1403 CZ PHE A 96 25.862 25.351 -36.508 1.00 0.00 C ATOM 0 H PHE A 96 25.441 24.815 -30.258 1.00 0.00 H new ATOM 0 HA PHE A 96 27.142 23.584 -32.346 1.00 0.00 H new ATOM 0 HB2 PHE A 96 26.311 26.423 -31.901 1.00 0.00 H new ATOM 0 HB3 PHE A 96 27.987 26.150 -32.334 1.00 0.00 H new ATOM 0 HD1 PHE A 96 27.663 23.769 -34.142 1.00 0.00 H new ATOM 0 HD2 PHE A 96 25.435 27.390 -33.860 1.00 0.00 H new ATOM 0 HE1 PHE A 96 27.017 23.553 -36.501 1.00 0.00 H new ATOM 0 HE2 PHE A 96 24.789 27.178 -36.221 1.00 0.00 H new ATOM 0 HZ PHE A 96 25.577 25.256 -37.545 1.00 0.00 H new ATOM 1413 N CYS A 97 29.300 24.627 -31.030 1.00 0.00 N ATOM 1414 CA CYS A 97 30.447 24.630 -30.129 1.00 0.00 C ATOM 1415 C CYS A 97 31.508 25.624 -30.591 1.00 0.00 C ATOM 1416 O CYS A 97 31.867 25.663 -31.767 1.00 0.00 O ATOM 1417 CB CYS A 97 31.054 23.230 -30.039 1.00 0.00 C ATOM 1418 SG CYS A 97 31.066 22.534 -28.355 1.00 0.00 S ATOM 0 H CYS A 97 29.526 24.836 -32.002 1.00 0.00 H new ATOM 0 HA CYS A 97 30.097 24.935 -29.143 1.00 0.00 H new ATOM 0 HB2 CYS A 97 30.496 22.561 -30.694 1.00 0.00 H new ATOM 0 HB3 CYS A 97 32.077 23.264 -30.414 1.00 0.00 H new ATOM 1423 N THR A 98 32.007 26.424 -29.654 1.00 0.00 N ATOM 1424 CA THR A 98 33.027 27.413 -29.955 1.00 0.00 C ATOM 1425 C THR A 98 34.389 26.756 -30.139 1.00 0.00 C ATOM 1426 O THR A 98 34.883 26.623 -31.260 1.00 0.00 O ATOM 1427 CB THR A 98 33.123 28.462 -28.835 1.00 0.00 C ATOM 1428 OG1 THR A 98 33.691 27.873 -27.657 1.00 0.00 O ATOM 1429 CG2 THR A 98 31.752 29.033 -28.509 1.00 0.00 C ATOM 0 H THR A 98 31.717 26.403 -28.676 1.00 0.00 H new ATOM 0 HA THR A 98 32.737 27.903 -30.884 1.00 0.00 H new ATOM 0 HB THR A 98 33.764 29.272 -29.182 1.00 0.00 H new ATOM 0 HG1 THR A 98 33.750 28.548 -26.949 1.00 0.00 H new ATOM 0 HG21 THR A 98 31.846 29.773 -27.714 1.00 0.00 H new ATOM 0 HG22 THR A 98 31.334 29.506 -29.398 1.00 0.00 H new ATOM 0 HG23 THR A 98 31.092 28.230 -28.181 1.00 0.00 H new