USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=31 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 45 GLN : amide:sc= 0.0594 K(o=0.15,f=-1.6!) USER MOD Set 1.2: A 98 THR OG1 : rot -132:sc= 0.0866 USER MOD Set 2.1: A 83 SER OG : rot -158:sc= -3.19! USER MOD Set 2.2: A 93 LYS NZ :NH3+ 151:sc= -2.82! (180deg=-4.99!) USER MOD Set 3.1: A 50 ASN : amide:sc= -2.02! C(o=-1.1!,f=-3.7!) USER MOD Set 3.2: A 94 TYR OH : rot -99:sc= 0.886 USER MOD Set 4.1: A 3 HIS : no HD1:sc= -0.988 X(o=-2,f=-2.4) USER MOD Set 4.2: A 13 SER OG : rot 180:sc= -1.03 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.897! USER MOD Single : A 8 SER OG : rot -65:sc= 1.07 USER MOD Single : A 12 TYR OH : rot -121:sc= -0.542! USER MOD Single : A 16 MET CE :methyl -126:sc= -3.67! (180deg=-7.11!) USER MOD Single : A 17 GLN : amide:sc= -0.285 X(o=-0.29,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN :FLIP amide:sc= 0 F(o=-0.55,f=0) USER MOD Single : A 27 MET CE :methyl -175:sc= 0 (180deg=-0.0211) USER MOD Single : A 30 THR OG1 : rot 150:sc= -0.66 USER MOD Single : A 34 ASN : amide:sc= -7.96! C(o=-8!,f=-9.9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc=-0.00506 F(o=-0.53,f=-0.0051) USER MOD Single : A 46 THR OG1 : rot 179:sc= 0.0864! USER MOD Single : A 47 TYR OH : rot 180:sc= -0.564 USER MOD Single : A 51 SER OG : rot 180:sc= -0.128 USER MOD Single : A 52 ASN : amide:sc= -1.67! C(o=-1.7!,f=-1.2!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.12 USER MOD Single : A 63 ASN : amide:sc=-0.00613 X(o=-0.0061,f=-0.14) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0649 USER MOD Single : A 69 SER OG : rot 180:sc= -0.312 USER MOD Single : A 71 THR OG1 : rot 173:sc= 0.029 USER MOD Single : A 72 THR OG1 : rot 60:sc= 0.00571 USER MOD Single : A 79 HIS : no HE2:sc= -1.24! C(o=-1.2!,f=-2.1!) USER MOD Single : A 84 THR OG1 : rot 159:sc= -4.84! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0.082 USER MOD Single : A 87 ASN : amide:sc= -0.375 X(o=-0.37,f=-0.069) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc= 0.749 F(o=-0.00017,f=0.75) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 66:sc= 0.247 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 48.132 5.630 -41.106 1.00 0.00 N ATOM 32 CA HIS A 3 47.302 5.076 -40.042 1.00 0.00 C ATOM 33 C HIS A 3 47.627 5.728 -38.703 1.00 0.00 C ATOM 34 O HIS A 3 48.715 6.268 -38.511 1.00 0.00 O ATOM 35 CB HIS A 3 47.502 3.563 -39.946 1.00 0.00 C ATOM 36 CG HIS A 3 46.501 2.775 -40.733 1.00 0.00 C ATOM 37 ND1 HIS A 3 46.541 2.665 -42.106 1.00 0.00 N ATOM 38 CD2 HIS A 3 45.428 2.054 -40.330 1.00 0.00 C ATOM 39 CE1 HIS A 3 45.537 1.912 -42.515 1.00 0.00 C ATOM 40 NE2 HIS A 3 44.846 1.527 -41.457 1.00 0.00 N ATOM 0 HA HIS A 3 46.260 5.284 -40.284 1.00 0.00 H new ATOM 0 HB2 HIS A 3 48.504 3.314 -40.296 1.00 0.00 H new ATOM 0 HB3 HIS A 3 47.446 3.263 -38.900 1.00 0.00 H new ATOM 0 HD2 HIS A 3 45.092 1.919 -39.312 1.00 0.00 H new ATOM 0 HE1 HIS A 3 45.318 1.654 -43.541 1.00 0.00 H new ATOM 0 HE2 HIS A 3 44.016 0.935 -41.474 1.00 0.00 H new ATOM 49 N CYS A 4 46.674 5.671 -37.777 1.00 0.00 N ATOM 50 CA CYS A 4 46.859 6.255 -36.453 1.00 0.00 C ATOM 51 C CYS A 4 46.700 5.197 -35.367 1.00 0.00 C ATOM 52 O CYS A 4 45.720 4.458 -35.352 1.00 0.00 O ATOM 53 CB CYS A 4 45.851 7.383 -36.229 1.00 0.00 C ATOM 54 SG CYS A 4 44.271 7.135 -37.106 1.00 0.00 S ATOM 0 H CYS A 4 45.767 5.227 -37.919 1.00 0.00 H new ATOM 0 HA CYS A 4 47.869 6.660 -36.398 1.00 0.00 H new ATOM 0 HB2 CYS A 4 45.654 7.476 -35.161 1.00 0.00 H new ATOM 0 HB3 CYS A 4 46.294 8.324 -36.554 1.00 0.00 H new ATOM 59 N VAL A 5 47.668 5.130 -34.462 1.00 0.00 N ATOM 60 CA VAL A 5 47.624 4.158 -33.377 1.00 0.00 C ATOM 61 C VAL A 5 47.940 4.811 -32.036 1.00 0.00 C ATOM 62 O VAL A 5 48.697 5.779 -31.968 1.00 0.00 O ATOM 63 CB VAL A 5 48.610 3.001 -33.618 1.00 0.00 C ATOM 64 CG1 VAL A 5 48.231 2.230 -34.874 1.00 0.00 C ATOM 65 CG2 VAL A 5 50.034 3.524 -33.714 1.00 0.00 C ATOM 0 H VAL A 5 48.490 5.734 -34.457 1.00 0.00 H new ATOM 0 HA VAL A 5 46.609 3.761 -33.352 1.00 0.00 H new ATOM 0 HB VAL A 5 48.555 2.318 -32.770 1.00 0.00 H new ATOM 0 HG11 VAL A 5 48.939 1.416 -35.029 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.227 1.821 -34.761 1.00 0.00 H new ATOM 0 HG13 VAL A 5 48.255 2.900 -35.733 1.00 0.00 H new ATOM 0 HG21 VAL A 5 50.717 2.692 -33.884 1.00 0.00 H new ATOM 0 HG22 VAL A 5 50.108 4.229 -34.542 1.00 0.00 H new ATOM 0 HG23 VAL A 5 50.300 4.027 -32.784 1.00 0.00 H new ATOM 75 N THR A 6 47.351 4.275 -30.972 1.00 0.00 N ATOM 76 CA THR A 6 47.567 4.803 -29.631 1.00 0.00 C ATOM 77 C THR A 6 48.876 4.290 -29.042 1.00 0.00 C ATOM 78 O THR A 6 49.804 3.946 -29.773 1.00 0.00 O ATOM 79 CB THR A 6 46.408 4.427 -28.687 1.00 0.00 C ATOM 80 OG1 THR A 6 46.740 3.244 -27.951 1.00 0.00 O ATOM 81 CG2 THR A 6 45.125 4.197 -29.472 1.00 0.00 C ATOM 0 H THR A 6 46.720 3.475 -31.013 1.00 0.00 H new ATOM 0 HA THR A 6 47.615 5.888 -29.722 1.00 0.00 H new ATOM 0 HB THR A 6 46.250 5.254 -27.994 1.00 0.00 H new ATOM 0 HG1 THR A 6 45.999 3.013 -27.352 1.00 0.00 H new ATOM 0 HG21 THR A 6 44.321 3.933 -28.785 1.00 0.00 H new ATOM 0 HG22 THR A 6 44.859 5.107 -30.009 1.00 0.00 H new ATOM 0 HG23 THR A 6 45.275 3.386 -30.184 1.00 0.00 H new ATOM 89 N ASP A 7 48.945 4.239 -27.715 1.00 0.00 N ATOM 90 CA ASP A 7 50.140 3.766 -27.030 1.00 0.00 C ATOM 91 C ASP A 7 50.789 2.621 -27.798 1.00 0.00 C ATOM 92 O ASP A 7 51.993 2.634 -28.055 1.00 0.00 O ATOM 93 CB ASP A 7 49.795 3.312 -25.611 1.00 0.00 C ATOM 94 CG ASP A 7 50.859 3.704 -24.603 1.00 0.00 C ATOM 95 OD1 ASP A 7 51.782 4.457 -24.978 1.00 0.00 O ATOM 96 OD2 ASP A 7 50.767 3.259 -23.441 1.00 0.00 O ATOM 0 H ASP A 7 48.186 4.520 -27.094 1.00 0.00 H new ATOM 0 HA ASP A 7 50.849 4.593 -26.977 1.00 0.00 H new ATOM 0 HB2 ASP A 7 48.840 3.747 -25.315 1.00 0.00 H new ATOM 0 HB3 ASP A 7 49.669 2.229 -25.599 1.00 0.00 H new ATOM 101 N SER A 8 49.982 1.634 -28.164 1.00 0.00 N ATOM 102 CA SER A 8 50.473 0.478 -28.905 1.00 0.00 C ATOM 103 C SER A 8 49.467 -0.667 -28.860 1.00 0.00 C ATOM 104 O SER A 8 49.728 -1.713 -28.267 1.00 0.00 O ATOM 105 CB SER A 8 51.815 0.014 -28.336 1.00 0.00 C ATOM 106 OG SER A 8 52.020 -1.368 -28.577 1.00 0.00 O ATOM 0 H SER A 8 48.983 1.610 -27.960 1.00 0.00 H new ATOM 0 HA SER A 8 50.609 0.777 -29.944 1.00 0.00 H new ATOM 0 HB2 SER A 8 52.623 0.589 -28.787 1.00 0.00 H new ATOM 0 HB3 SER A 8 51.846 0.208 -27.264 1.00 0.00 H new ATOM 0 HG SER A 8 51.347 -1.888 -28.090 1.00 0.00 H new ATOM 112 N GLY A 9 48.315 -0.462 -29.492 1.00 0.00 N ATOM 113 CA GLY A 9 47.288 -1.488 -29.512 1.00 0.00 C ATOM 114 C GLY A 9 46.249 -1.246 -30.586 1.00 0.00 C ATOM 115 O GLY A 9 46.138 -2.018 -31.540 1.00 0.00 O ATOM 0 H GLY A 9 48.075 0.395 -29.990 1.00 0.00 H new ATOM 0 HA2 GLY A 9 47.753 -2.460 -29.673 1.00 0.00 H new ATOM 0 HA3 GLY A 9 46.798 -1.527 -28.539 1.00 0.00 H new ATOM 119 N VAL A 10 45.488 -0.172 -30.431 1.00 0.00 N ATOM 120 CA VAL A 10 44.450 0.175 -31.393 1.00 0.00 C ATOM 121 C VAL A 10 45.057 0.555 -32.739 1.00 0.00 C ATOM 122 O VAL A 10 46.183 1.046 -32.806 1.00 0.00 O ATOM 123 CB VAL A 10 43.580 1.341 -30.888 1.00 0.00 C ATOM 124 CG1 VAL A 10 42.201 1.294 -31.526 1.00 0.00 C ATOM 125 CG2 VAL A 10 43.475 1.308 -29.370 1.00 0.00 C ATOM 0 H VAL A 10 45.570 0.476 -29.647 1.00 0.00 H new ATOM 0 HA VAL A 10 43.823 -0.708 -31.514 1.00 0.00 H new ATOM 0 HB VAL A 10 44.056 2.278 -31.177 1.00 0.00 H new ATOM 0 HG11 VAL A 10 41.601 2.126 -31.157 1.00 0.00 H new ATOM 0 HG12 VAL A 10 42.298 1.369 -32.609 1.00 0.00 H new ATOM 0 HG13 VAL A 10 41.714 0.353 -31.270 1.00 0.00 H new ATOM 0 HG21 VAL A 10 42.857 2.139 -29.030 1.00 0.00 H new ATOM 0 HG22 VAL A 10 43.023 0.367 -29.057 1.00 0.00 H new ATOM 0 HG23 VAL A 10 44.470 1.394 -28.934 1.00 0.00 H new ATOM 135 N VAL A 11 44.302 0.326 -33.808 1.00 0.00 N ATOM 136 CA VAL A 11 44.766 0.644 -35.152 1.00 0.00 C ATOM 137 C VAL A 11 43.788 1.567 -35.869 1.00 0.00 C ATOM 138 O VAL A 11 42.929 1.114 -36.625 1.00 0.00 O ATOM 139 CB VAL A 11 44.964 -0.630 -35.996 1.00 0.00 C ATOM 140 CG1 VAL A 11 45.280 -0.272 -37.439 1.00 0.00 C ATOM 141 CG2 VAL A 11 46.063 -1.498 -35.401 1.00 0.00 C ATOM 0 H VAL A 11 43.366 -0.079 -33.769 1.00 0.00 H new ATOM 0 HA VAL A 11 45.725 1.151 -35.042 1.00 0.00 H new ATOM 0 HB VAL A 11 44.035 -1.200 -35.984 1.00 0.00 H new ATOM 0 HG11 VAL A 11 45.416 -1.185 -38.019 1.00 0.00 H new ATOM 0 HG12 VAL A 11 44.457 0.305 -37.859 1.00 0.00 H new ATOM 0 HG13 VAL A 11 46.194 0.321 -37.475 1.00 0.00 H new ATOM 0 HG21 VAL A 11 46.189 -2.393 -36.010 1.00 0.00 H new ATOM 0 HG22 VAL A 11 46.998 -0.938 -35.381 1.00 0.00 H new ATOM 0 HG23 VAL A 11 45.790 -1.785 -34.386 1.00 0.00 H new ATOM 151 N TYR A 12 43.928 2.865 -35.626 1.00 0.00 N ATOM 152 CA TYR A 12 43.061 3.859 -36.248 1.00 0.00 C ATOM 153 C TYR A 12 43.599 4.274 -37.610 1.00 0.00 C ATOM 154 O TYR A 12 44.713 3.912 -37.990 1.00 0.00 O ATOM 155 CB TYR A 12 42.939 5.096 -35.356 1.00 0.00 C ATOM 156 CG TYR A 12 42.363 4.813 -33.991 1.00 0.00 C ATOM 157 CD1 TYR A 12 41.067 4.340 -33.848 1.00 0.00 C ATOM 158 CD2 TYR A 12 43.119 5.019 -32.845 1.00 0.00 C ATOM 159 CE1 TYR A 12 40.537 4.080 -32.599 1.00 0.00 C ATOM 160 CE2 TYR A 12 42.597 4.760 -31.592 1.00 0.00 C ATOM 161 CZ TYR A 12 41.306 4.291 -31.474 1.00 0.00 C ATOM 162 OH TYR A 12 40.783 4.031 -30.228 1.00 0.00 O ATOM 0 H TYR A 12 44.635 3.254 -35.002 1.00 0.00 H new ATOM 0 HA TYR A 12 42.078 3.407 -36.378 1.00 0.00 H new ATOM 0 HB2 TYR A 12 43.925 5.544 -35.237 1.00 0.00 H new ATOM 0 HB3 TYR A 12 42.312 5.833 -35.858 1.00 0.00 H new ATOM 0 HD1 TYR A 12 40.463 4.172 -34.727 1.00 0.00 H new ATOM 0 HD2 TYR A 12 44.130 5.387 -32.934 1.00 0.00 H new ATOM 0 HE1 TYR A 12 39.526 3.713 -32.504 1.00 0.00 H new ATOM 0 HE2 TYR A 12 43.197 4.924 -30.709 1.00 0.00 H new ATOM 0 HH TYR A 12 40.801 4.849 -29.688 1.00 0.00 H new ATOM 172 N SER A 13 42.803 5.051 -38.332 1.00 0.00 N ATOM 173 CA SER A 13 43.192 5.541 -39.645 1.00 0.00 C ATOM 174 C SER A 13 42.914 7.036 -39.751 1.00 0.00 C ATOM 175 O SER A 13 41.775 7.470 -39.585 1.00 0.00 O ATOM 176 CB SER A 13 42.442 4.786 -40.741 1.00 0.00 C ATOM 177 OG SER A 13 43.127 3.600 -41.104 1.00 0.00 O ATOM 0 H SER A 13 41.879 5.356 -38.027 1.00 0.00 H new ATOM 0 HA SER A 13 44.261 5.371 -39.777 1.00 0.00 H new ATOM 0 HB2 SER A 13 41.438 4.539 -40.395 1.00 0.00 H new ATOM 0 HB3 SER A 13 42.329 5.426 -41.616 1.00 0.00 H new ATOM 0 HG SER A 13 42.626 3.135 -41.806 1.00 0.00 H new ATOM 183 N VAL A 14 43.972 7.807 -40.013 1.00 0.00 N ATOM 184 CA VAL A 14 43.882 9.264 -40.132 1.00 0.00 C ATOM 185 C VAL A 14 42.451 9.739 -40.372 1.00 0.00 C ATOM 186 O VAL A 14 42.048 9.978 -41.510 1.00 0.00 O ATOM 187 CB VAL A 14 44.775 9.785 -41.273 1.00 0.00 C ATOM 188 CG1 VAL A 14 44.362 9.170 -42.601 1.00 0.00 C ATOM 189 CG2 VAL A 14 44.724 11.304 -41.342 1.00 0.00 C ATOM 0 H VAL A 14 44.914 7.439 -40.148 1.00 0.00 H new ATOM 0 HA VAL A 14 44.227 9.667 -39.180 1.00 0.00 H new ATOM 0 HB VAL A 14 45.803 9.488 -41.067 1.00 0.00 H new ATOM 0 HG11 VAL A 14 45.005 9.551 -43.394 1.00 0.00 H new ATOM 0 HG12 VAL A 14 44.458 8.086 -42.545 1.00 0.00 H new ATOM 0 HG13 VAL A 14 43.326 9.432 -42.817 1.00 0.00 H new ATOM 0 HG21 VAL A 14 45.361 11.653 -42.154 1.00 0.00 H new ATOM 0 HG22 VAL A 14 43.698 11.626 -41.522 1.00 0.00 H new ATOM 0 HG23 VAL A 14 45.076 11.723 -40.399 1.00 0.00 H new ATOM 199 N GLY A 15 41.691 9.876 -39.289 1.00 0.00 N ATOM 200 CA GLY A 15 40.315 10.325 -39.401 1.00 0.00 C ATOM 201 C GLY A 15 39.369 9.574 -38.483 1.00 0.00 C ATOM 202 O GLY A 15 38.177 9.879 -38.433 1.00 0.00 O ATOM 0 H GLY A 15 42.003 9.684 -38.337 1.00 0.00 H new ATOM 0 HA2 GLY A 15 40.266 11.389 -39.171 1.00 0.00 H new ATOM 0 HA3 GLY A 15 39.983 10.206 -40.432 1.00 0.00 H new ATOM 206 N MET A 16 39.890 8.591 -37.755 1.00 0.00 N ATOM 207 CA MET A 16 39.069 7.804 -36.842 1.00 0.00 C ATOM 208 C MET A 16 38.779 8.578 -35.560 1.00 0.00 C ATOM 209 O MET A 16 39.695 9.043 -34.882 1.00 0.00 O ATOM 210 CB MET A 16 39.763 6.484 -36.507 1.00 0.00 C ATOM 211 CG MET A 16 38.850 5.273 -36.617 1.00 0.00 C ATOM 212 SD MET A 16 39.211 4.260 -38.064 1.00 0.00 S ATOM 213 CE MET A 16 40.008 2.851 -37.299 1.00 0.00 C ATOM 0 H MET A 16 40.873 8.321 -37.779 1.00 0.00 H new ATOM 0 HA MET A 16 38.122 7.594 -37.339 1.00 0.00 H new ATOM 0 HB2 MET A 16 40.613 6.350 -37.176 1.00 0.00 H new ATOM 0 HB3 MET A 16 40.160 6.539 -35.493 1.00 0.00 H new ATOM 0 HG2 MET A 16 38.950 4.665 -35.718 1.00 0.00 H new ATOM 0 HG3 MET A 16 37.813 5.607 -36.662 1.00 0.00 H new ATOM 0 HE1 MET A 16 40.979 2.685 -37.765 1.00 0.00 H new ATOM 0 HE2 MET A 16 40.144 3.043 -36.235 1.00 0.00 H new ATOM 0 HE3 MET A 16 39.386 1.965 -37.431 1.00 0.00 H new ATOM 223 N GLN A 17 37.497 8.707 -35.233 1.00 0.00 N ATOM 224 CA GLN A 17 37.082 9.419 -34.030 1.00 0.00 C ATOM 225 C GLN A 17 36.617 8.440 -32.958 1.00 0.00 C ATOM 226 O GLN A 17 35.493 7.941 -33.002 1.00 0.00 O ATOM 227 CB GLN A 17 35.961 10.407 -34.358 1.00 0.00 C ATOM 228 CG GLN A 17 36.456 11.708 -34.970 1.00 0.00 C ATOM 229 CD GLN A 17 35.324 12.638 -35.356 1.00 0.00 C ATOM 230 OE1 GLN A 17 35.311 13.198 -36.453 1.00 0.00 O ATOM 231 NE2 GLN A 17 34.365 12.810 -34.454 1.00 0.00 N ATOM 0 H GLN A 17 36.728 8.328 -35.785 1.00 0.00 H new ATOM 0 HA GLN A 17 37.940 9.971 -33.647 1.00 0.00 H new ATOM 0 HB2 GLN A 17 35.261 9.934 -35.047 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.408 10.632 -33.446 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.110 12.213 -34.260 1.00 0.00 H new ATOM 0 HG3 GLN A 17 37.055 11.485 -35.853 1.00 0.00 H new ATOM 0 HE21 GLN A 17 34.415 12.326 -33.557 1.00 0.00 H new ATOM 0 HE22 GLN A 17 33.578 13.426 -34.658 1.00 0.00 H new ATOM 240 N TRP A 18 37.493 8.163 -31.998 1.00 0.00 N ATOM 241 CA TRP A 18 37.176 7.237 -30.917 1.00 0.00 C ATOM 242 C TRP A 18 37.221 7.936 -29.562 1.00 0.00 C ATOM 243 O TRP A 18 37.416 9.149 -29.482 1.00 0.00 O ATOM 244 CB TRP A 18 38.159 6.066 -30.921 1.00 0.00 C ATOM 245 CG TRP A 18 39.522 6.442 -30.427 1.00 0.00 C ATOM 246 CD1 TRP A 18 40.020 6.251 -29.170 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.561 7.079 -31.179 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.305 6.731 -29.095 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.660 7.244 -30.316 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.667 7.526 -32.498 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.850 7.837 -30.730 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.849 8.113 -32.909 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.927 8.264 -32.027 1.00 0.00 C ATOM 0 H TRP A 18 38.428 8.567 -31.947 1.00 0.00 H new ATOM 0 HA TRP A 18 36.165 6.865 -31.081 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.762 5.264 -30.299 1.00 0.00 H new ATOM 0 HB3 TRP A 18 38.242 5.672 -31.934 1.00 0.00 H new ATOM 0 HD1 TRP A 18 39.483 5.790 -28.354 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.899 6.709 -28.266 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.840 7.415 -33.184 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.682 7.955 -30.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 41.943 8.461 -33.927 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.837 8.727 -32.378 1.00 0.00 H new ATOM 264 N LEU A 19 37.049 7.156 -28.501 1.00 0.00 N ATOM 265 CA LEU A 19 37.077 7.690 -27.145 1.00 0.00 C ATOM 266 C LEU A 19 37.903 6.792 -26.233 1.00 0.00 C ATOM 267 O LEU A 19 37.791 5.568 -26.286 1.00 0.00 O ATOM 268 CB LEU A 19 35.659 7.830 -26.591 1.00 0.00 C ATOM 269 CG LEU A 19 35.580 8.339 -25.151 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.177 9.804 -25.126 1.00 0.00 C ATOM 271 CD2 LEU A 19 34.602 7.502 -24.341 1.00 0.00 C ATOM 0 H LEU A 19 36.888 6.150 -28.554 1.00 0.00 H new ATOM 0 HA LEU A 19 37.539 8.677 -27.180 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.099 8.510 -27.233 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.165 6.860 -26.646 1.00 0.00 H new ATOM 0 HG LEU A 19 36.567 8.246 -24.699 1.00 0.00 H new ATOM 0 HD11 LEU A 19 35.126 10.150 -24.094 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.915 10.394 -25.670 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.201 9.921 -25.597 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.559 7.879 -23.319 1.00 0.00 H new ATOM 0 HD22 LEU A 19 33.611 7.562 -24.792 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.933 6.464 -24.331 1.00 0.00 H new ATOM 283 N LYS A 20 38.735 7.407 -25.402 1.00 0.00 N ATOM 284 CA LYS A 20 39.582 6.656 -24.483 1.00 0.00 C ATOM 285 C LYS A 20 39.229 6.957 -23.030 1.00 0.00 C ATOM 286 O LYS A 20 38.594 7.968 -22.729 1.00 0.00 O ATOM 287 CB LYS A 20 41.054 6.978 -24.738 1.00 0.00 C ATOM 288 CG LYS A 20 41.996 6.342 -23.731 1.00 0.00 C ATOM 289 CD LYS A 20 43.450 6.565 -24.113 1.00 0.00 C ATOM 290 CE LYS A 20 44.005 7.828 -23.475 1.00 0.00 C ATOM 291 NZ LYS A 20 45.288 8.251 -24.102 1.00 0.00 N ATOM 0 H LYS A 20 38.842 8.420 -25.345 1.00 0.00 H new ATOM 0 HA LYS A 20 39.409 5.595 -24.662 1.00 0.00 H new ATOM 0 HB2 LYS A 20 41.323 6.641 -25.739 1.00 0.00 H new ATOM 0 HB3 LYS A 20 41.190 8.059 -24.718 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.810 6.761 -22.742 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.795 5.273 -23.668 1.00 0.00 H new ATOM 0 HD2 LYS A 20 44.045 5.707 -23.801 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.536 6.636 -25.197 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.274 8.632 -23.566 1.00 0.00 H new ATOM 0 HE3 LYS A 20 44.161 7.658 -22.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 45.633 9.116 -23.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 45.994 7.495 -23.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 45.135 8.438 -25.113 1.00 0.00 H new ATOM 379 N GLN A 26 36.819 10.006 -18.330 1.00 0.00 N ATOM 380 CA GLN A 26 36.481 9.911 -19.745 1.00 0.00 C ATOM 381 C GLN A 26 37.369 10.830 -20.577 1.00 0.00 C ATOM 382 O GLN A 26 37.862 11.845 -20.086 1.00 0.00 O ATOM 383 CB GLN A 26 35.010 10.265 -19.968 1.00 0.00 C ATOM 384 CG GLN A 26 34.438 9.700 -21.259 1.00 0.00 C ATOM 385 CD GLN A 26 33.070 10.265 -21.587 1.00 0.00 C ATOM 386 OE1 GLN A 26 32.995 11.044 -22.660 1.00 0.00 O flip ATOM 387 NE2 GLN A 26 32.093 10.005 -20.886 1.00 0.00 N flip ATOM 0 HA GLN A 26 36.650 8.883 -20.064 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.424 9.894 -19.127 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.903 11.350 -19.977 1.00 0.00 H new ATOM 0 HG2 GLN A 26 35.122 9.915 -22.080 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.369 8.615 -21.177 1.00 0.00 H new ATOM 0 HE21 GLN A 26 32.197 9.401 -20.070 1.00 0.00 H new ATOM 0 HE22 GLN A 26 31.179 10.393 -21.121 1.00 0.00 H new ATOM 396 N MET A 27 37.573 10.465 -21.838 1.00 0.00 N ATOM 397 CA MET A 27 38.407 11.254 -22.737 1.00 0.00 C ATOM 398 C MET A 27 38.218 10.812 -24.183 1.00 0.00 C ATOM 399 O MET A 27 38.481 9.660 -24.529 1.00 0.00 O ATOM 400 CB MET A 27 39.878 11.121 -22.341 1.00 0.00 C ATOM 401 CG MET A 27 40.602 12.450 -22.228 1.00 0.00 C ATOM 402 SD MET A 27 42.286 12.380 -22.867 1.00 0.00 S ATOM 403 CE MET A 27 43.026 11.210 -21.732 1.00 0.00 C ATOM 0 H MET A 27 37.172 9.628 -22.261 1.00 0.00 H new ATOM 0 HA MET A 27 38.105 12.298 -22.653 1.00 0.00 H new ATOM 0 HB2 MET A 27 39.942 10.600 -21.386 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.389 10.501 -23.077 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.043 13.211 -22.772 1.00 0.00 H new ATOM 0 HG3 MET A 27 40.627 12.758 -21.183 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.093 11.126 -21.940 1.00 0.00 H new ATOM 0 HE2 MET A 27 42.882 11.555 -20.708 1.00 0.00 H new ATOM 0 HE3 MET A 27 42.555 10.235 -21.856 1.00 0.00 H new ATOM 413 N LEU A 28 37.772 11.735 -25.027 1.00 0.00 N ATOM 414 CA LEU A 28 37.562 11.437 -26.438 1.00 0.00 C ATOM 415 C LEU A 28 38.839 11.704 -27.224 1.00 0.00 C ATOM 416 O LEU A 28 39.353 12.823 -27.221 1.00 0.00 O ATOM 417 CB LEU A 28 36.419 12.281 -27.002 1.00 0.00 C ATOM 418 CG LEU A 28 36.188 12.124 -28.506 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.842 11.471 -28.775 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.277 13.474 -29.201 1.00 0.00 C ATOM 0 H LEU A 28 37.549 12.694 -24.759 1.00 0.00 H new ATOM 0 HA LEU A 28 37.297 10.384 -26.532 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.500 12.019 -26.478 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.620 13.330 -26.787 1.00 0.00 H new ATOM 0 HG LEU A 28 36.968 11.477 -28.909 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.696 11.368 -29.850 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.816 10.486 -28.309 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.047 12.090 -28.359 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.110 13.344 -30.270 1.00 0.00 H new ATOM 0 HD22 LEU A 28 35.519 14.143 -28.794 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.266 13.903 -29.037 1.00 0.00 H new ATOM 432 N CYS A 29 39.359 10.677 -27.886 1.00 0.00 N ATOM 433 CA CYS A 29 40.586 10.829 -28.657 1.00 0.00 C ATOM 434 C CYS A 29 40.359 10.594 -30.141 1.00 0.00 C ATOM 435 O CYS A 29 39.635 9.682 -30.541 1.00 0.00 O ATOM 436 CB CYS A 29 41.671 9.890 -28.134 1.00 0.00 C ATOM 437 SG CYS A 29 43.365 10.512 -28.393 1.00 0.00 S ATOM 0 H CYS A 29 38.955 9.740 -27.905 1.00 0.00 H new ATOM 0 HA CYS A 29 40.918 11.860 -28.533 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.513 9.724 -27.068 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.570 8.922 -28.625 1.00 0.00 H new ATOM 442 N THR A 30 40.996 11.432 -30.949 1.00 0.00 N ATOM 443 CA THR A 30 40.887 11.336 -32.401 1.00 0.00 C ATOM 444 C THR A 30 42.250 11.499 -33.061 1.00 0.00 C ATOM 445 O THR A 30 43.120 12.199 -32.544 1.00 0.00 O ATOM 446 CB THR A 30 39.934 12.400 -32.972 1.00 0.00 C ATOM 447 OG1 THR A 30 38.596 12.164 -32.514 1.00 0.00 O ATOM 448 CG2 THR A 30 39.962 12.387 -34.494 1.00 0.00 C ATOM 0 H THR A 30 41.596 12.189 -30.623 1.00 0.00 H new ATOM 0 HA THR A 30 40.486 10.346 -32.619 1.00 0.00 H new ATOM 0 HB THR A 30 40.268 13.377 -32.623 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.117 13.016 -32.451 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.281 13.147 -34.877 1.00 0.00 H new ATOM 0 HG22 THR A 30 40.973 12.598 -34.841 1.00 0.00 H new ATOM 0 HG23 THR A 30 39.652 11.407 -34.855 1.00 0.00 H new ATOM 456 N CYS A 31 42.428 10.855 -34.208 1.00 0.00 N ATOM 457 CA CYS A 31 43.687 10.939 -34.936 1.00 0.00 C ATOM 458 C CYS A 31 43.533 11.789 -36.191 1.00 0.00 C ATOM 459 O CYS A 31 42.998 11.336 -37.203 1.00 0.00 O ATOM 460 CB CYS A 31 44.192 9.545 -35.299 1.00 0.00 C ATOM 461 SG CYS A 31 43.073 8.598 -36.375 1.00 0.00 S ATOM 0 H CYS A 31 41.719 10.271 -34.652 1.00 0.00 H new ATOM 0 HA CYS A 31 44.421 11.417 -34.286 1.00 0.00 H new ATOM 0 HB2 CYS A 31 45.159 9.639 -35.794 1.00 0.00 H new ATOM 0 HB3 CYS A 31 44.357 8.981 -34.381 1.00 0.00 H new ATOM 466 N LEU A 32 44.007 13.025 -36.110 1.00 0.00 N ATOM 467 CA LEU A 32 43.931 13.953 -37.227 1.00 0.00 C ATOM 468 C LEU A 32 45.065 13.679 -38.220 1.00 0.00 C ATOM 469 O LEU A 32 45.615 12.578 -38.247 1.00 0.00 O ATOM 470 CB LEU A 32 43.980 15.391 -36.698 1.00 0.00 C ATOM 471 CG LEU A 32 44.904 15.597 -35.502 1.00 0.00 C ATOM 472 CD1 LEU A 32 45.506 16.988 -35.526 1.00 0.00 C ATOM 473 CD2 LEU A 32 44.155 15.363 -34.199 1.00 0.00 C ATOM 0 H LEU A 32 44.451 13.409 -35.276 1.00 0.00 H new ATOM 0 HA LEU A 32 42.989 13.815 -37.758 1.00 0.00 H new ATOM 0 HB2 LEU A 32 44.300 16.050 -37.505 1.00 0.00 H new ATOM 0 HB3 LEU A 32 42.972 15.696 -36.418 1.00 0.00 H new ATOM 0 HG LEU A 32 45.714 14.871 -35.568 1.00 0.00 H new ATOM 0 HD11 LEU A 32 46.162 17.115 -34.665 1.00 0.00 H new ATOM 0 HD12 LEU A 32 46.081 17.120 -36.443 1.00 0.00 H new ATOM 0 HD13 LEU A 32 44.709 17.730 -35.488 1.00 0.00 H new ATOM 0 HD21 LEU A 32 44.832 15.515 -33.358 1.00 0.00 H new ATOM 0 HD22 LEU A 32 43.323 16.064 -34.127 1.00 0.00 H new ATOM 0 HD23 LEU A 32 43.773 14.342 -34.177 1.00 0.00 H new ATOM 485 N GLY A 33 45.403 14.667 -39.044 1.00 0.00 N ATOM 486 CA GLY A 33 46.454 14.480 -40.028 1.00 0.00 C ATOM 487 C GLY A 33 47.852 14.648 -39.463 1.00 0.00 C ATOM 488 O GLY A 33 48.777 13.946 -39.872 1.00 0.00 O ATOM 0 H GLY A 33 44.970 15.590 -39.048 1.00 0.00 H new ATOM 0 HA2 GLY A 33 46.363 13.483 -40.460 1.00 0.00 H new ATOM 0 HA3 GLY A 33 46.311 15.193 -40.840 1.00 0.00 H new ATOM 492 N ASN A 34 48.016 15.583 -38.535 1.00 0.00 N ATOM 493 CA ASN A 34 49.326 15.834 -37.939 1.00 0.00 C ATOM 494 C ASN A 34 49.617 14.872 -36.792 1.00 0.00 C ATOM 495 O ASN A 34 50.777 14.630 -36.456 1.00 0.00 O ATOM 496 CB ASN A 34 49.425 17.280 -37.449 1.00 0.00 C ATOM 497 CG ASN A 34 48.491 17.573 -36.297 1.00 0.00 C ATOM 498 OD1 ASN A 34 47.504 18.293 -36.450 1.00 0.00 O ATOM 499 ND2 ASN A 34 48.801 17.022 -35.130 1.00 0.00 N ATOM 0 H ASN A 34 47.266 16.176 -38.180 1.00 0.00 H new ATOM 0 HA ASN A 34 50.074 15.668 -38.714 1.00 0.00 H new ATOM 0 HB2 ASN A 34 50.450 17.485 -37.141 1.00 0.00 H new ATOM 0 HB3 ASN A 34 49.199 17.955 -38.275 1.00 0.00 H new ATOM 0 HD21 ASN A 34 48.211 17.189 -34.315 1.00 0.00 H new ATOM 0 HD22 ASN A 34 49.629 16.432 -35.049 1.00 0.00 H new ATOM 506 N GLY A 35 48.566 14.322 -36.189 1.00 0.00 N ATOM 507 CA GLY A 35 48.757 13.395 -35.088 1.00 0.00 C ATOM 508 C GLY A 35 47.452 12.971 -34.445 1.00 0.00 C ATOM 509 O GLY A 35 46.405 12.964 -35.093 1.00 0.00 O ATOM 0 H GLY A 35 47.594 14.500 -36.441 1.00 0.00 H new ATOM 0 HA2 GLY A 35 49.282 12.511 -35.450 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.394 13.859 -34.335 1.00 0.00 H new ATOM 513 N VAL A 36 47.515 12.615 -33.165 1.00 0.00 N ATOM 514 CA VAL A 36 46.331 12.184 -32.433 1.00 0.00 C ATOM 515 C VAL A 36 46.096 13.055 -31.203 1.00 0.00 C ATOM 516 O VAL A 36 46.963 13.178 -30.339 1.00 0.00 O ATOM 517 CB VAL A 36 46.444 10.706 -32.004 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.403 10.365 -30.946 1.00 0.00 C ATOM 519 CG2 VAL A 36 46.306 9.790 -33.208 1.00 0.00 C ATOM 0 H VAL A 36 48.374 12.617 -32.615 1.00 0.00 H new ATOM 0 HA VAL A 36 45.482 12.290 -33.108 1.00 0.00 H new ATOM 0 HB VAL A 36 47.431 10.554 -31.566 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.504 9.318 -30.661 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.554 10.996 -30.070 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.405 10.537 -31.349 1.00 0.00 H new ATOM 0 HG21 VAL A 36 46.388 8.752 -32.887 1.00 0.00 H new ATOM 0 HG22 VAL A 36 45.335 9.949 -33.677 1.00 0.00 H new ATOM 0 HG23 VAL A 36 47.096 10.011 -33.926 1.00 0.00 H new ATOM 529 N SER A 37 44.911 13.655 -31.133 1.00 0.00 N ATOM 530 CA SER A 37 44.553 14.515 -30.012 1.00 0.00 C ATOM 531 C SER A 37 43.214 14.093 -29.415 1.00 0.00 C ATOM 532 O SER A 37 42.306 13.677 -30.134 1.00 0.00 O ATOM 533 CB SER A 37 44.485 15.975 -30.463 1.00 0.00 C ATOM 534 OG SER A 37 44.110 16.823 -29.391 1.00 0.00 O ATOM 0 H SER A 37 44.183 13.561 -31.841 1.00 0.00 H new ATOM 0 HA SER A 37 45.323 14.415 -29.247 1.00 0.00 H new ATOM 0 HB2 SER A 37 45.455 16.284 -30.853 1.00 0.00 H new ATOM 0 HB3 SER A 37 43.767 16.074 -31.278 1.00 0.00 H new ATOM 0 HG SER A 37 44.075 17.751 -29.705 1.00 0.00 H new ATOM 540 N CYS A 38 43.098 14.201 -28.096 1.00 0.00 N ATOM 541 CA CYS A 38 41.869 13.828 -27.405 1.00 0.00 C ATOM 542 C CYS A 38 41.360 14.978 -26.543 1.00 0.00 C ATOM 543 O CYS A 38 42.044 15.986 -26.365 1.00 0.00 O ATOM 544 CB CYS A 38 42.096 12.585 -26.539 1.00 0.00 C ATOM 545 SG CYS A 38 43.695 11.749 -26.813 1.00 0.00 S ATOM 0 H CYS A 38 43.839 14.543 -27.484 1.00 0.00 H new ATOM 0 HA CYS A 38 41.115 13.600 -28.159 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.026 12.872 -25.490 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.292 11.874 -26.729 1.00 0.00 H new ATOM 550 N GLN A 39 40.150 14.823 -26.012 1.00 0.00 N ATOM 551 CA GLN A 39 39.547 15.851 -25.174 1.00 0.00 C ATOM 552 C GLN A 39 39.303 15.338 -23.758 1.00 0.00 C ATOM 553 O GLN A 39 38.506 14.424 -23.545 1.00 0.00 O ATOM 554 CB GLN A 39 38.230 16.328 -25.787 1.00 0.00 C ATOM 555 CG GLN A 39 38.335 16.669 -27.264 1.00 0.00 C ATOM 556 CD GLN A 39 39.371 17.740 -27.539 1.00 0.00 C ATOM 557 OE1 GLN A 39 39.436 18.739 -26.668 1.00 0.00 O flip ATOM 558 NE2 GLN A 39 40.107 17.670 -28.524 1.00 0.00 N flip ATOM 0 H GLN A 39 39.570 13.995 -26.148 1.00 0.00 H new ATOM 0 HA GLN A 39 40.243 16.688 -25.119 1.00 0.00 H new ATOM 0 HB2 GLN A 39 37.475 15.553 -25.654 1.00 0.00 H new ATOM 0 HB3 GLN A 39 37.883 17.207 -25.243 1.00 0.00 H new ATOM 0 HG2 GLN A 39 38.589 15.769 -27.824 1.00 0.00 H new ATOM 0 HG3 GLN A 39 37.364 17.006 -27.626 1.00 0.00 H new ATOM 0 HE21 GLN A 39 40.023 16.884 -29.168 1.00 0.00 H new ATOM 0 HE22 GLN A 39 40.800 18.398 -28.695 1.00 0.00 H new ATOM 636 N GLN A 45 28.247 23.601 -22.519 1.00 0.00 N ATOM 637 CA GLN A 45 27.008 24.136 -21.963 1.00 0.00 C ATOM 638 C GLN A 45 25.888 24.101 -22.998 1.00 0.00 C ATOM 639 O GLN A 45 26.028 23.493 -24.059 1.00 0.00 O ATOM 640 CB GLN A 45 27.220 25.571 -21.475 1.00 0.00 C ATOM 641 CG GLN A 45 28.676 25.915 -21.207 1.00 0.00 C ATOM 642 CD GLN A 45 28.931 27.409 -21.200 1.00 0.00 C ATOM 643 OE1 GLN A 45 28.022 28.205 -21.435 1.00 0.00 O ATOM 644 NE2 GLN A 45 30.172 27.796 -20.929 1.00 0.00 N ATOM 0 HA GLN A 45 26.719 23.511 -21.118 1.00 0.00 H new ATOM 0 HB2 GLN A 45 26.824 26.261 -22.220 1.00 0.00 H new ATOM 0 HB3 GLN A 45 26.645 25.724 -20.561 1.00 0.00 H new ATOM 0 HG2 GLN A 45 28.974 25.495 -20.246 1.00 0.00 H new ATOM 0 HG3 GLN A 45 29.302 25.447 -21.967 1.00 0.00 H new ATOM 0 HE21 GLN A 45 30.893 27.100 -20.740 1.00 0.00 H new ATOM 0 HE22 GLN A 45 30.404 28.789 -20.910 1.00 0.00 H new ATOM 653 N THR A 46 24.776 24.759 -22.681 1.00 0.00 N ATOM 654 CA THR A 46 23.633 24.803 -23.585 1.00 0.00 C ATOM 655 C THR A 46 22.906 26.140 -23.489 1.00 0.00 C ATOM 656 O THR A 46 23.018 26.848 -22.488 1.00 0.00 O ATOM 657 CB THR A 46 22.634 23.666 -23.290 1.00 0.00 C ATOM 658 OG1 THR A 46 22.147 23.777 -21.947 1.00 0.00 O ATOM 659 CG2 THR A 46 23.284 22.304 -23.488 1.00 0.00 C ATOM 0 H THR A 46 24.643 25.268 -21.807 1.00 0.00 H new ATOM 0 HA THR A 46 24.026 24.677 -24.594 1.00 0.00 H new ATOM 0 HB THR A 46 21.801 23.757 -23.988 1.00 0.00 H new ATOM 0 HG1 THR A 46 21.494 23.066 -21.776 1.00 0.00 H new ATOM 0 HG21 THR A 46 22.558 21.520 -23.273 1.00 0.00 H new ATOM 0 HG22 THR A 46 23.626 22.210 -24.519 1.00 0.00 H new ATOM 0 HG23 THR A 46 24.135 22.205 -22.814 1.00 0.00 H new ATOM 667 N TYR A 47 22.159 26.480 -24.535 1.00 0.00 N ATOM 668 CA TYR A 47 21.413 27.733 -24.566 1.00 0.00 C ATOM 669 C TYR A 47 20.525 27.827 -25.806 1.00 0.00 C ATOM 670 O TYR A 47 21.006 27.802 -26.938 1.00 0.00 O ATOM 671 CB TYR A 47 22.368 28.929 -24.504 1.00 0.00 C ATOM 672 CG TYR A 47 23.382 28.998 -25.631 1.00 0.00 C ATOM 673 CD1 TYR A 47 23.526 27.964 -26.553 1.00 0.00 C ATOM 674 CD2 TYR A 47 24.205 30.110 -25.767 1.00 0.00 C ATOM 675 CE1 TYR A 47 24.456 28.040 -27.573 1.00 0.00 C ATOM 676 CE2 TYR A 47 25.137 30.192 -26.785 1.00 0.00 C ATOM 677 CZ TYR A 47 25.257 29.155 -27.684 1.00 0.00 C ATOM 678 OH TYR A 47 26.184 29.232 -28.698 1.00 0.00 O ATOM 0 H TYR A 47 22.054 25.906 -25.372 1.00 0.00 H new ATOM 0 HA TYR A 47 20.766 27.753 -23.689 1.00 0.00 H new ATOM 0 HB2 TYR A 47 21.779 29.846 -24.509 1.00 0.00 H new ATOM 0 HB3 TYR A 47 22.903 28.899 -23.555 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.900 27.088 -26.470 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.115 30.925 -25.064 1.00 0.00 H new ATOM 0 HE1 TYR A 47 24.554 27.229 -28.279 1.00 0.00 H new ATOM 0 HE2 TYR A 47 25.767 31.064 -26.875 1.00 0.00 H new ATOM 0 HH TYR A 47 26.667 30.083 -28.636 1.00 0.00 H new ATOM 688 N GLY A 48 19.219 27.937 -25.582 1.00 0.00 N ATOM 689 CA GLY A 48 18.283 28.034 -26.687 1.00 0.00 C ATOM 690 C GLY A 48 17.950 26.683 -27.287 1.00 0.00 C ATOM 691 O GLY A 48 17.235 25.886 -26.680 1.00 0.00 O ATOM 0 H GLY A 48 18.793 27.961 -24.656 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.366 28.510 -26.341 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.704 28.677 -27.460 1.00 0.00 H new ATOM 695 N GLY A 49 18.471 26.423 -28.481 1.00 0.00 N ATOM 696 CA GLY A 49 18.214 25.159 -29.142 1.00 0.00 C ATOM 697 C GLY A 49 16.734 24.853 -29.255 1.00 0.00 C ATOM 698 O GLY A 49 15.959 25.676 -29.743 1.00 0.00 O ATOM 0 H GLY A 49 19.067 27.066 -29.002 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.655 25.178 -30.139 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.706 24.358 -28.591 1.00 0.00 H new ATOM 702 N ASN A 50 16.341 23.666 -28.805 1.00 0.00 N ATOM 703 CA ASN A 50 14.944 23.254 -28.858 1.00 0.00 C ATOM 704 C ASN A 50 14.392 23.020 -27.456 1.00 0.00 C ATOM 705 O ASN A 50 13.214 23.262 -27.193 1.00 0.00 O ATOM 706 CB ASN A 50 14.797 21.982 -29.696 1.00 0.00 C ATOM 707 CG ASN A 50 14.400 22.278 -31.129 1.00 0.00 C ATOM 708 OD1 ASN A 50 15.205 22.769 -31.920 1.00 0.00 O ATOM 709 ND2 ASN A 50 13.151 21.980 -31.471 1.00 0.00 N ATOM 0 H ASN A 50 16.970 22.973 -28.400 1.00 0.00 H new ATOM 0 HA ASN A 50 14.372 24.056 -29.324 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.739 21.434 -29.688 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.048 21.334 -29.240 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.826 22.157 -32.422 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.517 21.574 -30.783 1.00 0.00 H new ATOM 716 N SER A 51 15.252 22.549 -26.559 1.00 0.00 N ATOM 717 CA SER A 51 14.852 22.284 -25.182 1.00 0.00 C ATOM 718 C SER A 51 15.552 23.237 -24.220 1.00 0.00 C ATOM 719 O SER A 51 16.027 22.829 -23.160 1.00 0.00 O ATOM 720 CB SER A 51 15.172 20.835 -24.806 1.00 0.00 C ATOM 721 OG SER A 51 14.078 20.228 -24.141 1.00 0.00 O ATOM 0 H SER A 51 16.230 22.343 -26.761 1.00 0.00 H new ATOM 0 HA SER A 51 13.776 22.443 -25.105 1.00 0.00 H new ATOM 0 HB2 SER A 51 15.416 20.268 -25.704 1.00 0.00 H new ATOM 0 HB3 SER A 51 16.052 20.808 -24.164 1.00 0.00 H new ATOM 0 HG SER A 51 14.306 19.303 -23.913 1.00 0.00 H new ATOM 727 N ASN A 52 15.614 24.510 -24.598 1.00 0.00 N ATOM 728 CA ASN A 52 16.257 25.522 -23.770 1.00 0.00 C ATOM 729 C ASN A 52 17.602 25.025 -23.250 1.00 0.00 C ATOM 730 O ASN A 52 18.087 25.482 -22.215 1.00 0.00 O ATOM 731 CB ASN A 52 15.352 25.901 -22.596 1.00 0.00 C ATOM 732 CG ASN A 52 15.933 27.022 -21.756 1.00 0.00 C ATOM 733 OD1 ASN A 52 15.871 28.192 -22.132 1.00 0.00 O ATOM 734 ND2 ASN A 52 16.503 26.668 -20.610 1.00 0.00 N ATOM 0 H ASN A 52 15.227 24.864 -25.472 1.00 0.00 H new ATOM 0 HA ASN A 52 16.429 26.404 -24.387 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.376 26.204 -22.976 1.00 0.00 H new ATOM 0 HB3 ASN A 52 15.191 25.025 -21.967 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.912 27.378 -20.003 1.00 0.00 H new ATOM 0 HD22 ASN A 52 16.532 25.686 -20.337 1.00 0.00 H new ATOM 741 N GLY A 53 18.199 24.085 -23.975 1.00 0.00 N ATOM 742 CA GLY A 53 19.482 23.540 -23.572 1.00 0.00 C ATOM 743 C GLY A 53 19.367 22.597 -22.391 1.00 0.00 C ATOM 744 O GLY A 53 19.906 22.866 -21.318 1.00 0.00 O ATOM 0 H GLY A 53 17.817 23.691 -24.835 1.00 0.00 H new ATOM 0 HA2 GLY A 53 19.929 23.010 -24.414 1.00 0.00 H new ATOM 0 HA3 GLY A 53 20.156 24.357 -23.316 1.00 0.00 H new ATOM 748 N GLU A 54 18.664 21.487 -22.589 1.00 0.00 N ATOM 749 CA GLU A 54 18.481 20.499 -21.531 1.00 0.00 C ATOM 750 C GLU A 54 19.639 19.507 -21.509 1.00 0.00 C ATOM 751 O GLU A 54 20.409 19.412 -22.464 1.00 0.00 O ATOM 752 CB GLU A 54 17.158 19.755 -21.722 1.00 0.00 C ATOM 753 CG GLU A 54 15.940 20.561 -21.303 1.00 0.00 C ATOM 754 CD GLU A 54 14.998 19.773 -20.414 1.00 0.00 C ATOM 755 OE1 GLU A 54 14.460 18.747 -20.880 1.00 0.00 O ATOM 756 OE2 GLU A 54 14.797 20.182 -19.251 1.00 0.00 O ATOM 0 H GLU A 54 18.212 21.249 -23.472 1.00 0.00 H new ATOM 0 HA GLU A 54 18.458 21.024 -20.576 1.00 0.00 H new ATOM 0 HB2 GLU A 54 17.056 19.477 -22.771 1.00 0.00 H new ATOM 0 HB3 GLU A 54 17.185 18.829 -21.148 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.266 21.458 -20.776 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.404 20.891 -22.193 1.00 0.00 H new ATOM 763 N PRO A 55 19.771 18.750 -20.410 1.00 0.00 N ATOM 764 CA PRO A 55 20.835 17.756 -20.256 1.00 0.00 C ATOM 765 C PRO A 55 21.002 16.888 -21.498 1.00 0.00 C ATOM 766 O PRO A 55 20.111 16.117 -21.854 1.00 0.00 O ATOM 767 CB PRO A 55 20.353 16.916 -19.074 1.00 0.00 C ATOM 768 CG PRO A 55 19.536 17.857 -18.257 1.00 0.00 C ATOM 769 CD PRO A 55 18.887 18.805 -19.231 1.00 0.00 C ATOM 0 HA PRO A 55 21.811 18.217 -20.103 1.00 0.00 H new ATOM 0 HB2 PRO A 55 19.761 16.063 -19.408 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.191 16.518 -18.502 1.00 0.00 H new ATOM 0 HG2 PRO A 55 18.785 17.319 -17.678 1.00 0.00 H new ATOM 0 HG3 PRO A 55 20.160 18.397 -17.545 1.00 0.00 H new ATOM 0 HD2 PRO A 55 17.871 18.494 -19.477 1.00 0.00 H new ATOM 0 HD3 PRO A 55 18.822 19.815 -18.825 1.00 0.00 H new ATOM 777 N CYS A 56 22.150 17.019 -22.155 1.00 0.00 N ATOM 778 CA CYS A 56 22.435 16.248 -23.360 1.00 0.00 C ATOM 779 C CYS A 56 22.363 14.751 -23.079 1.00 0.00 C ATOM 780 O CYS A 56 21.969 14.331 -21.991 1.00 0.00 O ATOM 781 CB CYS A 56 23.812 16.615 -23.912 1.00 0.00 C ATOM 782 SG CYS A 56 24.053 18.403 -24.170 1.00 0.00 S ATOM 0 H CYS A 56 22.898 17.652 -21.873 1.00 0.00 H new ATOM 0 HA CYS A 56 21.679 16.493 -24.106 1.00 0.00 H new ATOM 0 HB2 CYS A 56 24.576 16.251 -23.226 1.00 0.00 H new ATOM 0 HB3 CYS A 56 23.962 16.098 -24.860 1.00 0.00 H new ATOM 787 N VAL A 57 22.736 13.950 -24.071 1.00 0.00 N ATOM 788 CA VAL A 57 22.705 12.499 -23.932 1.00 0.00 C ATOM 789 C VAL A 57 23.763 11.839 -24.806 1.00 0.00 C ATOM 790 O VAL A 57 23.449 10.994 -25.645 1.00 0.00 O ATOM 791 CB VAL A 57 21.322 11.935 -24.309 1.00 0.00 C ATOM 792 CG1 VAL A 57 21.082 12.062 -25.805 1.00 0.00 C ATOM 793 CG2 VAL A 57 21.198 10.485 -23.863 1.00 0.00 C ATOM 0 H VAL A 57 23.063 14.280 -24.979 1.00 0.00 H new ATOM 0 HA VAL A 57 22.913 12.275 -22.886 1.00 0.00 H new ATOM 0 HB VAL A 57 20.559 12.518 -23.792 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.100 11.658 -26.052 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.125 13.113 -26.093 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.849 11.506 -26.345 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.215 10.103 -24.137 1.00 0.00 H new ATOM 0 HG22 VAL A 57 21.969 9.887 -24.350 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.322 10.425 -22.782 1.00 0.00 H new ATOM 803 N LEU A 58 25.018 12.225 -24.605 1.00 0.00 N ATOM 804 CA LEU A 58 26.119 11.662 -25.378 1.00 0.00 C ATOM 805 C LEU A 58 26.880 10.615 -24.570 1.00 0.00 C ATOM 806 O LEU A 58 26.761 10.550 -23.346 1.00 0.00 O ATOM 807 CB LEU A 58 27.080 12.762 -25.838 1.00 0.00 C ATOM 808 CG LEU A 58 27.166 13.990 -24.927 1.00 0.00 C ATOM 809 CD1 LEU A 58 25.898 14.823 -25.032 1.00 0.00 C ATOM 810 CD2 LEU A 58 27.418 13.572 -23.486 1.00 0.00 C ATOM 0 H LEU A 58 25.298 12.923 -23.916 1.00 0.00 H new ATOM 0 HA LEU A 58 25.690 11.179 -26.256 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.077 12.332 -25.933 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.778 13.090 -26.833 1.00 0.00 H new ATOM 0 HG LEU A 58 28.005 14.603 -25.255 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.978 15.691 -24.378 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.765 15.156 -26.062 1.00 0.00 H new ATOM 0 HD13 LEU A 58 25.041 14.220 -24.732 1.00 0.00 H new ATOM 0 HD21 LEU A 58 27.476 14.459 -22.855 1.00 0.00 H new ATOM 0 HD22 LEU A 58 26.602 12.936 -23.144 1.00 0.00 H new ATOM 0 HD23 LEU A 58 28.357 13.022 -23.426 1.00 0.00 H new ATOM 822 N PRO A 59 27.673 9.777 -25.253 1.00 0.00 N ATOM 823 CA PRO A 59 27.825 9.839 -26.708 1.00 0.00 C ATOM 824 C PRO A 59 26.646 9.208 -27.443 1.00 0.00 C ATOM 825 O PRO A 59 26.266 8.071 -27.162 1.00 0.00 O ATOM 826 CB PRO A 59 29.098 9.029 -26.950 1.00 0.00 C ATOM 827 CG PRO A 59 29.114 8.027 -25.849 1.00 0.00 C ATOM 828 CD PRO A 59 28.488 8.702 -24.656 1.00 0.00 C ATOM 0 HA PRO A 59 27.870 10.864 -27.076 1.00 0.00 H new ATOM 0 HB2 PRO A 59 29.082 8.546 -27.927 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.984 9.663 -26.923 1.00 0.00 H new ATOM 0 HG2 PRO A 59 28.556 7.133 -26.128 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.133 7.710 -25.626 1.00 0.00 H new ATOM 0 HD2 PRO A 59 27.876 8.009 -24.079 1.00 0.00 H new ATOM 0 HD3 PRO A 59 29.243 9.101 -23.979 1.00 0.00 H new ATOM 836 N PHE A 60 26.072 9.948 -28.388 1.00 0.00 N ATOM 837 CA PHE A 60 24.939 9.451 -29.160 1.00 0.00 C ATOM 838 C PHE A 60 25.356 9.151 -30.595 1.00 0.00 C ATOM 839 O PHE A 60 26.517 9.328 -30.965 1.00 0.00 O ATOM 840 CB PHE A 60 23.803 10.473 -29.152 1.00 0.00 C ATOM 841 CG PHE A 60 24.243 11.845 -29.566 1.00 0.00 C ATOM 842 CD1 PHE A 60 24.754 12.066 -30.834 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.154 12.912 -28.687 1.00 0.00 C ATOM 844 CE1 PHE A 60 25.168 13.325 -31.219 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.565 14.174 -29.067 1.00 0.00 C ATOM 846 CZ PHE A 60 25.074 14.380 -30.333 1.00 0.00 C ATOM 0 H PHE A 60 26.372 10.891 -28.636 1.00 0.00 H new ATOM 0 HA PHE A 60 24.590 8.528 -28.698 1.00 0.00 H new ATOM 0 HB2 PHE A 60 23.013 10.134 -29.822 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.374 10.522 -28.151 1.00 0.00 H new ATOM 0 HD1 PHE A 60 24.829 11.243 -31.530 1.00 0.00 H new ATOM 0 HD2 PHE A 60 23.759 12.755 -27.694 1.00 0.00 H new ATOM 0 HE1 PHE A 60 25.565 13.485 -32.211 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.488 14.999 -28.374 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.399 15.366 -30.631 1.00 0.00 H new ATOM 856 N THR A 61 24.401 8.704 -31.401 1.00 0.00 N ATOM 857 CA THR A 61 24.666 8.384 -32.797 1.00 0.00 C ATOM 858 C THR A 61 23.834 9.264 -33.720 1.00 0.00 C ATOM 859 O THR A 61 22.636 9.448 -33.502 1.00 0.00 O ATOM 860 CB THR A 61 24.360 6.906 -33.105 1.00 0.00 C ATOM 861 OG1 THR A 61 24.067 6.202 -31.892 1.00 0.00 O ATOM 862 CG2 THR A 61 25.536 6.245 -33.810 1.00 0.00 C ATOM 0 H THR A 61 23.435 8.555 -31.111 1.00 0.00 H new ATOM 0 HA THR A 61 25.726 8.569 -32.971 1.00 0.00 H new ATOM 0 HB THR A 61 23.493 6.868 -33.765 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.872 5.264 -32.097 1.00 0.00 H new ATOM 0 HG21 THR A 61 25.297 5.202 -34.017 1.00 0.00 H new ATOM 0 HG22 THR A 61 25.737 6.764 -34.747 1.00 0.00 H new ATOM 0 HG23 THR A 61 26.418 6.295 -33.171 1.00 0.00 H new ATOM 870 N TYR A 62 24.475 9.812 -34.746 1.00 0.00 N ATOM 871 CA TYR A 62 23.787 10.680 -35.694 1.00 0.00 C ATOM 872 C TYR A 62 24.271 10.437 -37.120 1.00 0.00 C ATOM 873 O TYR A 62 25.450 10.624 -37.427 1.00 0.00 O ATOM 874 CB TYR A 62 24.005 12.140 -35.318 1.00 0.00 C ATOM 875 CG TYR A 62 23.132 13.100 -36.089 1.00 0.00 C ATOM 876 CD1 TYR A 62 21.868 13.437 -35.630 1.00 0.00 C ATOM 877 CD2 TYR A 62 23.579 13.678 -37.267 1.00 0.00 C ATOM 878 CE1 TYR A 62 21.070 14.324 -36.326 1.00 0.00 C ATOM 879 CE2 TYR A 62 22.792 14.568 -37.969 1.00 0.00 C ATOM 880 CZ TYR A 62 21.537 14.889 -37.494 1.00 0.00 C ATOM 881 OH TYR A 62 20.749 15.775 -38.191 1.00 0.00 O ATOM 0 H TYR A 62 25.466 9.671 -34.942 1.00 0.00 H new ATOM 0 HA TYR A 62 22.723 10.447 -35.651 1.00 0.00 H new ATOM 0 HB2 TYR A 62 23.814 12.264 -34.252 1.00 0.00 H new ATOM 0 HB3 TYR A 62 25.051 12.398 -35.487 1.00 0.00 H new ATOM 0 HD1 TYR A 62 21.501 12.999 -34.713 1.00 0.00 H new ATOM 0 HD2 TYR A 62 24.560 13.427 -37.642 1.00 0.00 H new ATOM 0 HE1 TYR A 62 20.086 14.574 -35.958 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.156 15.010 -38.884 1.00 0.00 H new ATOM 0 HH TYR A 62 21.228 16.081 -38.990 1.00 0.00 H new ATOM 891 N ASN A 63 23.353 10.030 -37.988 1.00 0.00 N ATOM 892 CA ASN A 63 23.682 9.772 -39.385 1.00 0.00 C ATOM 893 C ASN A 63 24.582 8.548 -39.526 1.00 0.00 C ATOM 894 O ASN A 63 25.046 8.232 -40.621 1.00 0.00 O ATOM 895 CB ASN A 63 24.364 10.993 -40.003 1.00 0.00 C ATOM 896 CG ASN A 63 23.755 11.380 -41.335 1.00 0.00 C ATOM 897 OD1 ASN A 63 23.428 10.522 -42.154 1.00 0.00 O ATOM 898 ND2 ASN A 63 23.597 12.680 -41.558 1.00 0.00 N ATOM 0 H ASN A 63 22.374 9.871 -37.749 1.00 0.00 H new ATOM 0 HA ASN A 63 22.751 9.573 -39.915 1.00 0.00 H new ATOM 0 HB2 ASN A 63 24.290 11.835 -39.314 1.00 0.00 H new ATOM 0 HB3 ASN A 63 25.425 10.784 -40.138 1.00 0.00 H new ATOM 0 HD21 ASN A 63 23.190 13.001 -42.437 1.00 0.00 H new ATOM 0 HD22 ASN A 63 23.882 13.357 -40.851 1.00 0.00 H new ATOM 905 N GLY A 64 24.822 7.859 -38.416 1.00 0.00 N ATOM 906 CA GLY A 64 25.661 6.676 -38.452 1.00 0.00 C ATOM 907 C GLY A 64 26.946 6.836 -37.662 1.00 0.00 C ATOM 908 O GLY A 64 27.619 5.851 -37.359 1.00 0.00 O ATOM 0 H GLY A 64 24.452 8.097 -37.496 1.00 0.00 H new ATOM 0 HA2 GLY A 64 25.101 5.828 -38.057 1.00 0.00 H new ATOM 0 HA3 GLY A 64 25.905 6.442 -39.488 1.00 0.00 H new ATOM 912 N ARG A 65 27.290 8.076 -37.324 1.00 0.00 N ATOM 913 CA ARG A 65 28.503 8.342 -36.562 1.00 0.00 C ATOM 914 C ARG A 65 28.182 8.487 -35.079 1.00 0.00 C ATOM 915 O ARG A 65 27.106 8.095 -34.631 1.00 0.00 O ATOM 916 CB ARG A 65 29.202 9.600 -37.082 1.00 0.00 C ATOM 917 CG ARG A 65 28.419 10.877 -36.847 1.00 0.00 C ATOM 918 CD ARG A 65 28.258 11.676 -38.129 1.00 0.00 C ATOM 919 NE ARG A 65 27.965 10.811 -39.264 1.00 0.00 N ATOM 920 CZ ARG A 65 28.015 11.212 -40.530 1.00 0.00 C ATOM 921 NH1 ARG A 65 28.354 12.460 -40.820 1.00 0.00 N ATOM 922 NH2 ARG A 65 27.728 10.363 -41.508 1.00 0.00 N ATOM 0 H ARG A 65 26.749 8.906 -37.565 1.00 0.00 H new ATOM 0 HA ARG A 65 29.178 7.496 -36.689 1.00 0.00 H new ATOM 0 HB2 ARG A 65 30.176 9.688 -36.601 1.00 0.00 H new ATOM 0 HB3 ARG A 65 29.384 9.488 -38.151 1.00 0.00 H new ATOM 0 HG2 ARG A 65 27.436 10.633 -36.443 1.00 0.00 H new ATOM 0 HG3 ARG A 65 28.929 11.485 -36.100 1.00 0.00 H new ATOM 0 HD2 ARG A 65 27.455 12.403 -38.007 1.00 0.00 H new ATOM 0 HD3 ARG A 65 29.171 12.239 -38.325 1.00 0.00 H new ATOM 0 HE ARG A 65 27.707 9.842 -39.076 1.00 0.00 H new ATOM 0 HH11 ARG A 65 28.577 13.115 -40.071 1.00 0.00 H new ATOM 0 HH12 ARG A 65 28.392 12.765 -41.792 1.00 0.00 H new ATOM 0 HH21 ARG A 65 27.469 9.401 -41.289 1.00 0.00 H new ATOM 0 HH22 ARG A 65 27.767 10.672 -42.479 1.00 0.00 H new ATOM 936 N THR A 66 29.116 9.045 -34.319 1.00 0.00 N ATOM 937 CA THR A 66 28.913 9.223 -32.886 1.00 0.00 C ATOM 938 C THR A 66 29.442 10.569 -32.405 1.00 0.00 C ATOM 939 O THR A 66 30.300 11.176 -33.045 1.00 0.00 O ATOM 940 CB THR A 66 29.596 8.100 -32.085 1.00 0.00 C ATOM 941 OG1 THR A 66 29.075 6.825 -32.483 1.00 0.00 O ATOM 942 CG2 THR A 66 29.380 8.296 -30.594 1.00 0.00 C ATOM 0 H THR A 66 30.015 9.380 -34.667 1.00 0.00 H new ATOM 0 HA THR A 66 27.837 9.187 -32.716 1.00 0.00 H new ATOM 0 HB THR A 66 30.666 8.135 -32.292 1.00 0.00 H new ATOM 0 HG1 THR A 66 29.516 6.117 -31.969 1.00 0.00 H new ATOM 0 HG21 THR A 66 29.871 7.491 -30.046 1.00 0.00 H new ATOM 0 HG22 THR A 66 29.802 9.253 -30.288 1.00 0.00 H new ATOM 0 HG23 THR A 66 28.312 8.284 -30.376 1.00 0.00 H new ATOM 950 N PHE A 67 28.922 11.030 -31.270 1.00 0.00 N ATOM 951 CA PHE A 67 29.340 12.305 -30.699 1.00 0.00 C ATOM 952 C PHE A 67 29.263 12.280 -29.177 1.00 0.00 C ATOM 953 O PHE A 67 28.174 12.220 -28.606 1.00 0.00 O ATOM 954 CB PHE A 67 28.461 13.441 -31.222 1.00 0.00 C ATOM 955 CG PHE A 67 28.336 13.473 -32.714 1.00 0.00 C ATOM 956 CD1 PHE A 67 27.537 12.556 -33.376 1.00 0.00 C ATOM 957 CD2 PHE A 67 29.014 14.427 -33.454 1.00 0.00 C ATOM 958 CE1 PHE A 67 27.416 12.592 -34.750 1.00 0.00 C ATOM 959 CE2 PHE A 67 28.900 14.466 -34.828 1.00 0.00 C ATOM 960 CZ PHE A 67 28.100 13.549 -35.476 1.00 0.00 C ATOM 0 H PHE A 67 28.211 10.539 -30.729 1.00 0.00 H new ATOM 0 HA PHE A 67 30.374 12.472 -30.999 1.00 0.00 H new ATOM 0 HB2 PHE A 67 27.466 13.348 -30.786 1.00 0.00 H new ATOM 0 HB3 PHE A 67 28.871 14.391 -30.881 1.00 0.00 H new ATOM 0 HD1 PHE A 67 27.004 11.806 -32.812 1.00 0.00 H new ATOM 0 HD2 PHE A 67 29.639 15.149 -32.950 1.00 0.00 H new ATOM 0 HE1 PHE A 67 26.788 11.874 -35.257 1.00 0.00 H new ATOM 0 HE2 PHE A 67 29.436 15.213 -35.395 1.00 0.00 H new ATOM 0 HZ PHE A 67 28.008 13.578 -36.552 1.00 0.00 H new ATOM 970 N TYR A 68 30.418 12.349 -28.523 1.00 0.00 N ATOM 971 CA TYR A 68 30.465 12.354 -27.067 1.00 0.00 C ATOM 972 C TYR A 68 30.141 13.745 -26.525 1.00 0.00 C ATOM 973 O TYR A 68 30.205 13.985 -25.319 1.00 0.00 O ATOM 974 CB TYR A 68 31.841 11.901 -26.572 1.00 0.00 C ATOM 975 CG TYR A 68 32.179 10.478 -26.951 1.00 0.00 C ATOM 976 CD1 TYR A 68 32.418 10.130 -28.274 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.258 9.481 -25.986 1.00 0.00 C ATOM 978 CE1 TYR A 68 32.724 8.829 -28.626 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.564 8.178 -26.330 1.00 0.00 C ATOM 980 CZ TYR A 68 32.795 7.857 -27.651 1.00 0.00 C ATOM 981 OH TYR A 68 33.099 6.561 -27.998 1.00 0.00 O ATOM 0 H TYR A 68 31.330 12.402 -28.977 1.00 0.00 H new ATOM 0 HA TYR A 68 29.715 11.654 -26.699 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.602 12.567 -26.978 1.00 0.00 H new ATOM 0 HB3 TYR A 68 31.878 11.998 -25.487 1.00 0.00 H new ATOM 0 HD1 TYR A 68 32.364 10.889 -29.041 1.00 0.00 H new ATOM 0 HD2 TYR A 68 32.077 9.729 -24.950 1.00 0.00 H new ATOM 0 HE1 TYR A 68 32.907 8.575 -29.660 1.00 0.00 H new ATOM 0 HE2 TYR A 68 32.622 7.415 -25.568 1.00 0.00 H new ATOM 0 HH TYR A 68 33.110 6.001 -27.194 1.00 0.00 H new ATOM 991 N SER A 69 29.787 14.659 -27.429 1.00 0.00 N ATOM 992 CA SER A 69 29.446 16.025 -27.056 1.00 0.00 C ATOM 993 C SER A 69 28.615 16.686 -28.151 1.00 0.00 C ATOM 994 O SER A 69 28.179 16.026 -29.096 1.00 0.00 O ATOM 995 CB SER A 69 30.714 16.840 -26.795 1.00 0.00 C ATOM 996 OG SER A 69 31.858 16.004 -26.749 1.00 0.00 O ATOM 0 H SER A 69 29.730 14.472 -28.430 1.00 0.00 H new ATOM 0 HA SER A 69 28.855 15.993 -26.140 1.00 0.00 H new ATOM 0 HB2 SER A 69 30.837 17.587 -27.579 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.616 17.379 -25.853 1.00 0.00 H new ATOM 0 HG SER A 69 32.655 16.549 -26.583 1.00 0.00 H new ATOM 1002 N CYS A 70 28.396 17.989 -28.021 1.00 0.00 N ATOM 1003 CA CYS A 70 27.617 18.735 -28.999 1.00 0.00 C ATOM 1004 C CYS A 70 28.311 18.746 -30.358 1.00 0.00 C ATOM 1005 O CYS A 70 29.487 18.402 -30.468 1.00 0.00 O ATOM 1006 CB CYS A 70 27.396 20.165 -28.510 1.00 0.00 C ATOM 1007 SG CYS A 70 27.144 20.303 -26.710 1.00 0.00 S ATOM 0 H CYS A 70 28.748 18.551 -27.246 1.00 0.00 H new ATOM 0 HA CYS A 70 26.652 18.243 -29.115 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.256 20.772 -28.794 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.529 20.583 -29.021 1.00 0.00 H new ATOM 1012 N THR A 71 27.575 19.147 -31.393 1.00 0.00 N ATOM 1013 CA THR A 71 28.122 19.205 -32.744 1.00 0.00 C ATOM 1014 C THR A 71 27.191 19.959 -33.687 1.00 0.00 C ATOM 1015 O THR A 71 25.989 20.061 -33.442 1.00 0.00 O ATOM 1016 CB THR A 71 28.392 17.793 -33.313 1.00 0.00 C ATOM 1017 OG1 THR A 71 29.306 17.879 -34.413 1.00 0.00 O ATOM 1018 CG2 THR A 71 27.105 17.116 -33.778 1.00 0.00 C ATOM 0 H THR A 71 26.599 19.436 -31.320 1.00 0.00 H new ATOM 0 HA THR A 71 29.069 19.740 -32.674 1.00 0.00 H new ATOM 0 HB THR A 71 28.823 17.191 -32.513 1.00 0.00 H new ATOM 0 HG1 THR A 71 29.558 16.977 -34.700 1.00 0.00 H new ATOM 0 HG21 THR A 71 27.336 16.126 -34.171 1.00 0.00 H new ATOM 0 HG22 THR A 71 26.419 17.021 -32.936 1.00 0.00 H new ATOM 0 HG23 THR A 71 26.639 17.717 -34.559 1.00 0.00 H new ATOM 1026 N THR A 72 27.755 20.480 -34.772 1.00 0.00 N ATOM 1027 CA THR A 72 26.980 21.218 -35.760 1.00 0.00 C ATOM 1028 C THR A 72 26.965 20.479 -37.094 1.00 0.00 C ATOM 1029 O THR A 72 27.453 20.986 -38.103 1.00 0.00 O ATOM 1030 CB THR A 72 27.549 22.632 -35.975 1.00 0.00 C ATOM 1031 OG1 THR A 72 28.973 22.571 -36.119 1.00 0.00 O ATOM 1032 CG2 THR A 72 27.194 23.542 -34.811 1.00 0.00 C ATOM 0 H THR A 72 28.749 20.404 -34.989 1.00 0.00 H new ATOM 0 HA THR A 72 25.963 21.301 -35.377 1.00 0.00 H new ATOM 0 HB THR A 72 27.108 23.041 -36.884 1.00 0.00 H new ATOM 0 HG1 THR A 72 29.200 22.005 -36.886 1.00 0.00 H new ATOM 0 HG21 THR A 72 27.607 24.535 -34.986 1.00 0.00 H new ATOM 0 HG22 THR A 72 26.110 23.611 -34.720 1.00 0.00 H new ATOM 0 HG23 THR A 72 27.610 23.134 -33.890 1.00 0.00 H new ATOM 1040 N GLU A 73 26.416 19.267 -37.085 1.00 0.00 N ATOM 1041 CA GLU A 73 26.352 18.445 -38.288 1.00 0.00 C ATOM 1042 C GLU A 73 24.983 18.530 -38.957 1.00 0.00 C ATOM 1043 O GLU A 73 24.885 18.645 -40.178 1.00 0.00 O ATOM 1044 CB GLU A 73 26.675 16.990 -37.938 1.00 0.00 C ATOM 1045 CG GLU A 73 25.845 16.433 -36.801 1.00 0.00 C ATOM 1046 CD GLU A 73 25.994 14.938 -36.669 1.00 0.00 C ATOM 1047 OE1 GLU A 73 26.425 14.300 -37.654 1.00 0.00 O ATOM 1048 OE2 GLU A 73 25.680 14.401 -35.586 1.00 0.00 O ATOM 0 H GLU A 73 26.009 18.833 -36.257 1.00 0.00 H new ATOM 0 HA GLU A 73 27.090 18.825 -38.995 1.00 0.00 H new ATOM 0 HB2 GLU A 73 26.523 16.372 -38.823 1.00 0.00 H new ATOM 0 HB3 GLU A 73 27.730 16.916 -37.675 1.00 0.00 H new ATOM 0 HG2 GLU A 73 26.143 16.910 -35.868 1.00 0.00 H new ATOM 0 HG3 GLU A 73 24.796 16.679 -36.964 1.00 0.00 H new ATOM 1055 N GLY A 74 23.931 18.461 -38.152 1.00 0.00 N ATOM 1056 CA GLY A 74 22.583 18.519 -38.683 1.00 0.00 C ATOM 1057 C GLY A 74 22.042 19.934 -38.779 1.00 0.00 C ATOM 1058 O GLY A 74 20.844 20.157 -38.604 1.00 0.00 O ATOM 0 H GLY A 74 23.987 18.366 -37.138 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.569 18.063 -39.673 1.00 0.00 H new ATOM 0 HA3 GLY A 74 21.923 17.926 -38.049 1.00 0.00 H new ATOM 1122 N HIS A 79 25.609 26.642 -34.616 1.00 0.00 N ATOM 1123 CA HIS A 79 25.430 26.526 -33.175 1.00 0.00 C ATOM 1124 C HIS A 79 25.450 25.065 -32.743 1.00 0.00 C ATOM 1125 O HIS A 79 24.610 24.270 -33.164 1.00 0.00 O ATOM 1126 CB HIS A 79 24.117 27.182 -32.752 1.00 0.00 C ATOM 1127 CG HIS A 79 23.767 28.388 -33.567 1.00 0.00 C ATOM 1128 ND1 HIS A 79 24.694 29.083 -34.315 1.00 0.00 N ATOM 1129 CD2 HIS A 79 22.584 29.021 -33.755 1.00 0.00 C ATOM 1130 CE1 HIS A 79 24.097 30.091 -34.927 1.00 0.00 C ATOM 1131 NE2 HIS A 79 22.818 30.075 -34.604 1.00 0.00 N ATOM 0 HA HIS A 79 26.257 27.040 -32.685 1.00 0.00 H new ATOM 0 HB2 HIS A 79 23.312 26.452 -32.832 1.00 0.00 H new ATOM 0 HB3 HIS A 79 24.184 27.468 -31.702 1.00 0.00 H new ATOM 0 HD1 HIS A 79 25.686 28.855 -34.385 1.00 0.00 H new ATOM 0 HD2 HIS A 79 21.634 28.748 -33.319 1.00 0.00 H new ATOM 0 HE1 HIS A 79 24.575 30.806 -35.580 1.00 0.00 H new ATOM 1140 N LEU A 80 26.414 24.719 -31.896 1.00 0.00 N ATOM 1141 CA LEU A 80 26.541 23.354 -31.407 1.00 0.00 C ATOM 1142 C LEU A 80 25.228 22.877 -30.806 1.00 0.00 C ATOM 1143 O LEU A 80 24.524 23.642 -30.149 1.00 0.00 O ATOM 1144 CB LEU A 80 27.656 23.264 -30.362 1.00 0.00 C ATOM 1145 CG LEU A 80 29.070 23.137 -30.931 1.00 0.00 C ATOM 1146 CD1 LEU A 80 29.410 24.343 -31.791 1.00 0.00 C ATOM 1147 CD2 LEU A 80 30.082 22.977 -29.807 1.00 0.00 C ATOM 0 H LEU A 80 27.117 25.365 -31.536 1.00 0.00 H new ATOM 0 HA LEU A 80 26.794 22.711 -32.250 1.00 0.00 H new ATOM 0 HB2 LEU A 80 27.614 24.152 -29.731 1.00 0.00 H new ATOM 0 HB3 LEU A 80 27.461 22.406 -29.719 1.00 0.00 H new ATOM 0 HG LEU A 80 29.111 22.247 -31.560 1.00 0.00 H new ATOM 0 HD11 LEU A 80 30.420 24.235 -32.187 1.00 0.00 H new ATOM 0 HD12 LEU A 80 28.702 24.412 -32.617 1.00 0.00 H new ATOM 0 HD13 LEU A 80 29.352 25.248 -31.187 1.00 0.00 H new ATOM 0 HD21 LEU A 80 31.083 22.888 -30.229 1.00 0.00 H new ATOM 0 HD22 LEU A 80 30.040 23.848 -29.153 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.849 22.080 -29.233 1.00 0.00 H new ATOM 1159 N TRP A 81 24.904 21.612 -31.034 1.00 0.00 N ATOM 1160 CA TRP A 81 23.672 21.037 -30.513 1.00 0.00 C ATOM 1161 C TRP A 81 23.901 19.616 -30.014 1.00 0.00 C ATOM 1162 O TRP A 81 24.798 18.918 -30.486 1.00 0.00 O ATOM 1163 CB TRP A 81 22.591 21.037 -31.594 1.00 0.00 C ATOM 1164 CG TRP A 81 22.864 20.060 -32.695 1.00 0.00 C ATOM 1165 CD1 TRP A 81 23.452 20.324 -33.897 1.00 0.00 C ATOM 1166 CD2 TRP A 81 22.563 18.660 -32.693 1.00 0.00 C ATOM 1167 NE1 TRP A 81 23.534 19.176 -34.644 1.00 0.00 N ATOM 1168 CE2 TRP A 81 22.996 18.139 -33.927 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.972 17.794 -31.768 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 22.853 16.795 -34.261 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 21.831 16.459 -32.100 1.00 0.00 C ATOM 1172 CH2 TRP A 81 22.272 15.972 -33.337 1.00 0.00 C ATOM 0 H TRP A 81 25.477 20.965 -31.576 1.00 0.00 H new ATOM 0 HA TRP A 81 23.343 21.649 -29.674 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.629 20.803 -31.138 1.00 0.00 H new ATOM 0 HB3 TRP A 81 22.508 22.038 -32.017 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.802 21.295 -34.215 1.00 0.00 H new ATOM 0 HE1 TRP A 81 23.931 19.106 -35.581 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.632 18.161 -30.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.189 16.417 -35.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 21.374 15.781 -31.394 1.00 0.00 H new ATOM 0 HH2 TRP A 81 22.150 14.924 -33.566 1.00 0.00 H new ATOM 1183 N CYS A 82 23.078 19.194 -29.064 1.00 0.00 N ATOM 1184 CA CYS A 82 23.180 17.855 -28.502 1.00 0.00 C ATOM 1185 C CYS A 82 21.796 17.237 -28.348 1.00 0.00 C ATOM 1186 O CYS A 82 20.784 17.895 -28.590 1.00 0.00 O ATOM 1187 CB CYS A 82 23.894 17.892 -27.151 1.00 0.00 C ATOM 1188 SG CYS A 82 22.989 18.794 -25.853 1.00 0.00 S ATOM 0 H CYS A 82 22.330 19.762 -28.666 1.00 0.00 H new ATOM 0 HA CYS A 82 23.764 17.240 -29.186 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.065 16.869 -26.815 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.873 18.353 -27.283 1.00 0.00 H new ATOM 1193 N SER A 83 21.753 15.974 -27.948 1.00 0.00 N ATOM 1194 CA SER A 83 20.484 15.280 -27.769 1.00 0.00 C ATOM 1195 C SER A 83 20.131 15.160 -26.291 1.00 0.00 C ATOM 1196 O SER A 83 20.923 14.664 -25.495 1.00 0.00 O ATOM 1197 CB SER A 83 20.548 13.894 -28.410 1.00 0.00 C ATOM 1198 OG SER A 83 19.491 13.076 -27.951 1.00 0.00 O ATOM 0 H SER A 83 22.578 15.410 -27.742 1.00 0.00 H new ATOM 0 HA SER A 83 19.704 15.863 -28.258 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.496 13.988 -29.495 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.504 13.425 -28.177 1.00 0.00 H new ATOM 0 HG SER A 83 19.726 12.134 -28.082 1.00 0.00 H new ATOM 1204 N THR A 84 18.940 15.628 -25.929 1.00 0.00 N ATOM 1205 CA THR A 84 18.493 15.581 -24.541 1.00 0.00 C ATOM 1206 C THR A 84 18.130 14.161 -24.111 1.00 0.00 C ATOM 1207 O THR A 84 17.839 13.918 -22.940 1.00 0.00 O ATOM 1208 CB THR A 84 17.282 16.505 -24.305 1.00 0.00 C ATOM 1209 OG1 THR A 84 16.066 15.805 -24.589 1.00 0.00 O ATOM 1210 CG2 THR A 84 17.375 17.749 -25.175 1.00 0.00 C ATOM 0 H THR A 84 18.269 16.043 -26.576 1.00 0.00 H new ATOM 0 HA THR A 84 19.331 15.929 -23.937 1.00 0.00 H new ATOM 0 HB THR A 84 17.285 16.811 -23.259 1.00 0.00 H new ATOM 0 HG1 THR A 84 15.320 16.248 -24.134 1.00 0.00 H new ATOM 0 HG21 THR A 84 16.510 18.387 -24.992 1.00 0.00 H new ATOM 0 HG22 THR A 84 18.286 18.295 -24.932 1.00 0.00 H new ATOM 0 HG23 THR A 84 17.395 17.458 -26.225 1.00 0.00 H new ATOM 1218 N THR A 85 18.154 13.226 -25.057 1.00 0.00 N ATOM 1219 CA THR A 85 17.830 11.835 -24.756 1.00 0.00 C ATOM 1220 C THR A 85 18.360 10.899 -25.844 1.00 0.00 C ATOM 1221 O THR A 85 18.439 11.271 -27.012 1.00 0.00 O ATOM 1222 CB THR A 85 16.304 11.638 -24.567 1.00 0.00 C ATOM 1223 OG1 THR A 85 16.058 10.838 -23.405 1.00 0.00 O ATOM 1224 CG2 THR A 85 15.656 10.979 -25.779 1.00 0.00 C ATOM 0 H THR A 85 18.393 13.405 -26.032 1.00 0.00 H new ATOM 0 HA THR A 85 18.321 11.582 -23.816 1.00 0.00 H new ATOM 0 HB THR A 85 15.861 12.626 -24.446 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.092 10.718 -23.289 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.587 10.861 -25.601 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.811 11.603 -26.659 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.106 10.000 -25.945 1.00 0.00 H new ATOM 1232 N SER A 86 18.720 9.685 -25.450 1.00 0.00 N ATOM 1233 CA SER A 86 19.243 8.700 -26.389 1.00 0.00 C ATOM 1234 C SER A 86 18.356 8.590 -27.625 1.00 0.00 C ATOM 1235 O SER A 86 18.834 8.691 -28.755 1.00 0.00 O ATOM 1236 CB SER A 86 19.366 7.333 -25.714 1.00 0.00 C ATOM 1237 OG SER A 86 18.671 7.307 -24.480 1.00 0.00 O ATOM 0 H SER A 86 18.660 9.358 -24.486 1.00 0.00 H new ATOM 0 HA SER A 86 20.231 9.034 -26.705 1.00 0.00 H new ATOM 0 HB2 SER A 86 18.970 6.562 -26.374 1.00 0.00 H new ATOM 0 HB3 SER A 86 20.418 7.100 -25.547 1.00 0.00 H new ATOM 0 HG SER A 86 18.764 6.422 -24.071 1.00 0.00 H new ATOM 1243 N ASN A 87 17.064 8.377 -27.405 1.00 0.00 N ATOM 1244 CA ASN A 87 16.114 8.245 -28.504 1.00 0.00 C ATOM 1245 C ASN A 87 15.817 9.597 -29.144 1.00 0.00 C ATOM 1246 O ASN A 87 14.677 10.062 -29.128 1.00 0.00 O ATOM 1247 CB ASN A 87 14.812 7.615 -28.009 1.00 0.00 C ATOM 1248 CG ASN A 87 14.496 6.311 -28.715 1.00 0.00 C ATOM 1249 OD1 ASN A 87 14.076 5.338 -28.088 1.00 0.00 O ATOM 1250 ND2 ASN A 87 14.696 6.284 -30.027 1.00 0.00 N ATOM 0 H ASN A 87 16.650 8.292 -26.477 1.00 0.00 H new ATOM 0 HA ASN A 87 16.566 7.599 -29.256 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.883 7.436 -26.936 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.991 8.316 -28.162 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.500 5.434 -30.555 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.045 7.114 -30.507 1.00 0.00 H new ATOM 1257 N TYR A 88 16.840 10.222 -29.719 1.00 0.00 N ATOM 1258 CA TYR A 88 16.664 11.512 -30.371 1.00 0.00 C ATOM 1259 C TYR A 88 15.962 11.334 -31.708 1.00 0.00 C ATOM 1260 O TYR A 88 15.279 12.237 -32.192 1.00 0.00 O ATOM 1261 CB TYR A 88 18.011 12.198 -30.584 1.00 0.00 C ATOM 1262 CG TYR A 88 17.942 13.372 -31.534 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.663 14.650 -31.068 1.00 0.00 C ATOM 1264 CD2 TYR A 88 18.154 13.201 -32.896 1.00 0.00 C ATOM 1265 CE1 TYR A 88 17.598 15.726 -31.934 1.00 0.00 C ATOM 1266 CE2 TYR A 88 18.091 14.272 -33.767 1.00 0.00 C ATOM 1267 CZ TYR A 88 17.813 15.532 -33.281 1.00 0.00 C ATOM 1268 OH TYR A 88 17.749 16.600 -34.146 1.00 0.00 O ATOM 0 H TYR A 88 17.792 9.858 -29.746 1.00 0.00 H new ATOM 0 HA TYR A 88 16.051 12.139 -29.724 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.392 12.540 -29.622 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.725 11.470 -30.969 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.494 14.806 -30.013 1.00 0.00 H new ATOM 0 HD2 TYR A 88 18.372 12.215 -33.280 1.00 0.00 H new ATOM 0 HE1 TYR A 88 17.380 16.714 -31.556 1.00 0.00 H new ATOM 0 HE2 TYR A 88 18.259 14.123 -34.823 1.00 0.00 H new ATOM 0 HH TYR A 88 17.926 16.292 -35.059 1.00 0.00 H new ATOM 1278 N GLU A 89 16.135 10.158 -32.301 1.00 0.00 N ATOM 1279 CA GLU A 89 15.519 9.852 -33.583 1.00 0.00 C ATOM 1280 C GLU A 89 14.012 9.679 -33.429 1.00 0.00 C ATOM 1281 O GLU A 89 13.278 9.644 -34.417 1.00 0.00 O ATOM 1282 CB GLU A 89 16.135 8.586 -34.180 1.00 0.00 C ATOM 1283 CG GLU A 89 17.470 8.825 -34.868 1.00 0.00 C ATOM 1284 CD GLU A 89 17.548 8.169 -36.233 1.00 0.00 C ATOM 1285 OE1 GLU A 89 17.130 6.998 -36.354 1.00 0.00 O ATOM 1286 OE2 GLU A 89 18.027 8.826 -37.182 1.00 0.00 O ATOM 0 H GLU A 89 16.698 9.401 -31.912 1.00 0.00 H new ATOM 0 HA GLU A 89 15.704 10.687 -34.259 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.271 7.850 -33.388 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.437 8.156 -34.899 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.633 9.897 -34.975 1.00 0.00 H new ATOM 0 HG3 GLU A 89 18.273 8.442 -34.238 1.00 0.00 H new ATOM 1293 N GLN A 90 13.555 9.571 -32.185 1.00 0.00 N ATOM 1294 CA GLN A 90 12.133 9.402 -31.906 1.00 0.00 C ATOM 1295 C GLN A 90 11.543 10.668 -31.295 1.00 0.00 C ATOM 1296 O GLN A 90 10.473 11.125 -31.698 1.00 0.00 O ATOM 1297 CB GLN A 90 11.912 8.215 -30.967 1.00 0.00 C ATOM 1298 CG GLN A 90 10.571 8.247 -30.251 1.00 0.00 C ATOM 1299 CD GLN A 90 9.409 7.937 -31.177 1.00 0.00 C ATOM 1300 OE1 GLN A 90 8.855 6.737 -31.050 1.00 0.00 O flip ATOM 1301 NE2 GLN A 90 9.014 8.768 -31.994 1.00 0.00 N flip ATOM 0 H GLN A 90 14.148 9.597 -31.355 1.00 0.00 H new ATOM 0 HA GLN A 90 11.625 9.207 -32.850 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.987 7.291 -31.540 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.710 8.196 -30.225 1.00 0.00 H new ATOM 0 HG2 GLN A 90 10.582 7.526 -29.434 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.424 9.231 -29.806 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.470 9.678 -32.057 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.231 8.547 -32.608 1.00 0.00 H new ATOM 1310 N ASP A 91 12.247 11.229 -30.320 1.00 0.00 N ATOM 1311 CA ASP A 91 11.796 12.443 -29.649 1.00 0.00 C ATOM 1312 C ASP A 91 12.173 13.681 -30.453 1.00 0.00 C ATOM 1313 O ASP A 91 11.510 14.716 -30.366 1.00 0.00 O ATOM 1314 CB ASP A 91 12.400 12.529 -28.246 1.00 0.00 C ATOM 1315 CG ASP A 91 11.477 13.219 -27.260 1.00 0.00 C ATOM 1316 OD1 ASP A 91 10.872 14.246 -27.632 1.00 0.00 O ATOM 1317 OD2 ASP A 91 11.358 12.731 -26.116 1.00 0.00 O ATOM 0 H ASP A 91 13.134 10.862 -29.975 1.00 0.00 H new ATOM 0 HA ASP A 91 10.710 12.401 -29.568 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.624 11.524 -27.888 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.346 13.069 -28.293 1.00 0.00 H new ATOM 1322 N GLN A 92 13.240 13.569 -31.236 1.00 0.00 N ATOM 1323 CA GLN A 92 13.708 14.680 -32.055 1.00 0.00 C ATOM 1324 C GLN A 92 13.826 15.956 -31.229 1.00 0.00 C ATOM 1325 O GLN A 92 13.294 17.003 -31.600 1.00 0.00 O ATOM 1326 CB GLN A 92 12.761 14.907 -33.234 1.00 0.00 C ATOM 1327 CG GLN A 92 13.456 15.437 -34.479 1.00 0.00 C ATOM 1328 CD GLN A 92 13.330 14.496 -35.661 1.00 0.00 C ATOM 1329 OE1 GLN A 92 12.617 14.781 -36.623 1.00 0.00 O ATOM 1330 NE2 GLN A 92 14.025 13.365 -35.594 1.00 0.00 N ATOM 0 H GLN A 92 13.797 12.719 -31.321 1.00 0.00 H new ATOM 0 HA GLN A 92 14.697 14.424 -32.436 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.265 13.967 -33.477 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.984 15.610 -32.935 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.032 16.406 -34.743 1.00 0.00 H new ATOM 0 HG3 GLN A 92 14.511 15.600 -34.260 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.604 13.170 -34.777 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.980 12.693 -36.360 1.00 0.00 H new ATOM 1339 N LYS A 93 14.535 15.861 -30.111 1.00 0.00 N ATOM 1340 CA LYS A 93 14.737 17.007 -29.232 1.00 0.00 C ATOM 1341 C LYS A 93 16.217 17.172 -28.910 1.00 0.00 C ATOM 1342 O LYS A 93 16.844 16.291 -28.317 1.00 0.00 O ATOM 1343 CB LYS A 93 13.913 16.858 -27.947 1.00 0.00 C ATOM 1344 CG LYS A 93 14.645 16.154 -26.815 1.00 0.00 C ATOM 1345 CD LYS A 93 14.826 14.674 -27.108 1.00 0.00 C ATOM 1346 CE LYS A 93 16.248 14.217 -26.827 1.00 0.00 C ATOM 1347 NZ LYS A 93 16.947 13.782 -28.066 1.00 0.00 N ATOM 0 H LYS A 93 14.980 15.001 -29.791 1.00 0.00 H new ATOM 0 HA LYS A 93 14.395 17.904 -29.749 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.608 17.848 -27.607 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.002 16.305 -28.175 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.620 16.619 -26.665 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.087 16.277 -25.887 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.131 14.095 -26.501 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.579 14.476 -28.151 1.00 0.00 H new ATOM 0 HE2 LYS A 93 16.805 15.030 -26.362 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.230 13.394 -26.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.969 13.947 -27.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.774 12.769 -28.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.587 14.325 -28.877 1.00 0.00 H new ATOM 1361 N TYR A 94 16.779 18.300 -29.329 1.00 0.00 N ATOM 1362 CA TYR A 94 18.190 18.577 -29.107 1.00 0.00 C ATOM 1363 C TYR A 94 18.387 19.830 -28.260 1.00 0.00 C ATOM 1364 O TYR A 94 17.435 20.550 -27.957 1.00 0.00 O ATOM 1365 CB TYR A 94 18.909 18.737 -30.449 1.00 0.00 C ATOM 1366 CG TYR A 94 18.471 19.952 -31.237 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.864 21.229 -30.859 1.00 0.00 C ATOM 1368 CD2 TYR A 94 17.664 19.820 -32.361 1.00 0.00 C ATOM 1369 CE1 TYR A 94 18.466 22.341 -31.576 1.00 0.00 C ATOM 1370 CE2 TYR A 94 17.263 20.927 -33.085 1.00 0.00 C ATOM 1371 CZ TYR A 94 17.666 22.184 -32.689 1.00 0.00 C ATOM 1372 OH TYR A 94 17.269 23.289 -33.406 1.00 0.00 O ATOM 0 H TYR A 94 16.277 19.037 -29.825 1.00 0.00 H new ATOM 0 HA TYR A 94 18.615 17.733 -28.564 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.982 18.800 -30.270 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.738 17.844 -31.051 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.492 21.355 -29.989 1.00 0.00 H new ATOM 0 HD2 TYR A 94 17.345 18.837 -32.674 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.779 23.327 -31.267 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.637 20.807 -33.957 1.00 0.00 H new ATOM 0 HH TYR A 94 16.357 23.537 -33.147 1.00 0.00 H new ATOM 1382 N SER A 95 19.637 20.083 -27.890 1.00 0.00 N ATOM 1383 CA SER A 95 19.988 21.246 -27.084 1.00 0.00 C ATOM 1384 C SER A 95 21.267 21.884 -27.613 1.00 0.00 C ATOM 1385 O SER A 95 22.204 21.186 -27.996 1.00 0.00 O ATOM 1386 CB SER A 95 20.166 20.850 -25.619 1.00 0.00 C ATOM 1387 OG SER A 95 20.093 19.445 -25.456 1.00 0.00 O ATOM 0 H SER A 95 20.431 19.492 -28.138 1.00 0.00 H new ATOM 0 HA SER A 95 19.176 21.971 -27.151 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.128 21.211 -25.256 1.00 0.00 H new ATOM 0 HB3 SER A 95 19.397 21.329 -25.014 1.00 0.00 H new ATOM 0 HG SER A 95 20.857 19.024 -25.903 1.00 0.00 H new ATOM 1393 N PHE A 96 21.293 23.209 -27.649 1.00 0.00 N ATOM 1394 CA PHE A 96 22.453 23.933 -28.155 1.00 0.00 C ATOM 1395 C PHE A 96 23.620 23.897 -27.179 1.00 0.00 C ATOM 1396 O PHE A 96 23.531 23.310 -26.102 1.00 0.00 O ATOM 1397 CB PHE A 96 22.080 25.380 -28.464 1.00 0.00 C ATOM 1398 CG PHE A 96 21.493 25.562 -29.831 1.00 0.00 C ATOM 1399 CD1 PHE A 96 21.153 24.461 -30.602 1.00 0.00 C ATOM 1400 CD2 PHE A 96 21.282 26.828 -30.346 1.00 0.00 C ATOM 1401 CE1 PHE A 96 20.612 24.622 -31.861 1.00 0.00 C ATOM 1402 CE2 PHE A 96 20.741 26.995 -31.608 1.00 0.00 C ATOM 1403 CZ PHE A 96 20.405 25.888 -32.365 1.00 0.00 C ATOM 0 H PHE A 96 20.527 23.804 -27.335 1.00 0.00 H new ATOM 0 HA PHE A 96 22.771 23.434 -29.071 1.00 0.00 H new ATOM 0 HB2 PHE A 96 21.365 25.731 -27.720 1.00 0.00 H new ATOM 0 HB3 PHE A 96 22.968 26.005 -28.372 1.00 0.00 H new ATOM 0 HD1 PHE A 96 21.313 23.466 -30.213 1.00 0.00 H new ATOM 0 HD2 PHE A 96 21.542 27.695 -29.757 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.351 23.756 -32.451 1.00 0.00 H new ATOM 0 HE2 PHE A 96 20.581 27.988 -32.001 1.00 0.00 H new ATOM 0 HZ PHE A 96 19.981 26.015 -33.350 1.00 0.00 H new ATOM 1413 N CYS A 97 24.717 24.536 -27.574 1.00 0.00 N ATOM 1414 CA CYS A 97 25.917 24.594 -26.752 1.00 0.00 C ATOM 1415 C CYS A 97 26.778 25.789 -27.145 1.00 0.00 C ATOM 1416 O CYS A 97 27.048 26.011 -28.325 1.00 0.00 O ATOM 1417 CB CYS A 97 26.723 23.301 -26.890 1.00 0.00 C ATOM 1418 SG CYS A 97 25.775 21.789 -26.525 1.00 0.00 S ATOM 0 H CYS A 97 24.798 25.024 -28.466 1.00 0.00 H new ATOM 0 HA CYS A 97 25.612 24.709 -25.712 1.00 0.00 H new ATOM 0 HB2 CYS A 97 27.113 23.236 -27.906 1.00 0.00 H new ATOM 0 HB3 CYS A 97 27.582 23.348 -26.221 1.00 0.00 H new ATOM 1423 N THR A 98 27.201 26.558 -26.150 1.00 0.00 N ATOM 1424 CA THR A 98 28.024 27.735 -26.387 1.00 0.00 C ATOM 1425 C THR A 98 29.499 27.365 -26.502 1.00 0.00 C ATOM 1426 O THR A 98 30.224 27.919 -27.329 1.00 0.00 O ATOM 1427 CB THR A 98 27.854 28.777 -25.264 1.00 0.00 C ATOM 1428 OG1 THR A 98 28.999 28.765 -24.403 1.00 0.00 O ATOM 1429 CG2 THR A 98 26.599 28.503 -24.447 1.00 0.00 C ATOM 0 H THR A 98 26.986 26.386 -25.168 1.00 0.00 H new ATOM 0 HA THR A 98 27.687 28.168 -27.329 1.00 0.00 H new ATOM 0 HB THR A 98 27.757 29.758 -25.728 1.00 0.00 H new ATOM 0 HG1 THR A 98 28.705 28.739 -23.468 1.00 0.00 H new ATOM 0 HG21 THR A 98 26.505 29.254 -23.662 1.00 0.00 H new ATOM 0 HG22 THR A 98 25.725 28.546 -25.097 1.00 0.00 H new ATOM 0 HG23 THR A 98 26.667 27.513 -23.996 1.00 0.00 H new