USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=26 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 180:sc= 0 USER MOD Set 1.2: A 92 GLN : amide:sc= -0.947 K(o=-0.95,f=-2.4) USER MOD Set 2.1: A 3 HIS :FLIP no HE2:sc= 0.149 F(o=-1.4,f=0.31) USER MOD Set 2.2: A 13 SER OG : rot -2:sc= 0.16 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -67:sc= 1.17 USER MOD Single : A 12 TYR OH : rot -63:sc= 1.02 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -0.137 X(o=-0.14,f=-0.007) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 34 ASN : amide:sc= -5.02! C(o=-5!,f=-11!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0158 USER MOD Single : A 39 GLN : amide:sc= -0.0371 X(o=-0.037,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.14 K(o=-0.14,f=-0.67) USER MOD Single : A 46 THR OG1 : rot -153:sc= -2.25! USER MOD Single : A 47 TYR OH : rot -58:sc= 0.993 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -80:sc= -6.05! USER MOD Single : A 52 ASN : amide:sc= -1.06! C(o=-1.1!,f=-0.97!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= 0 USER MOD Single : A 63 ASN : amide:sc= 0.0146 X(o=0.015,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -1.91! USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 76:sc= 0.845 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.114 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.0645 X(o=-0.064,f=-0.015) USER MOD Single : A 83 SER OG : rot -78:sc= -3.72! USER MOD Single : A 84 THR OG1 : rot 140:sc= -6.25! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.139 USER MOD Single : A 87 ASN : amide:sc= -2.14 X(o=-2.1,f=-2.1!) USER MOD Single : A 90 GLN : amide:sc= -0.0919 K(o=-0.092,f=-1.9!) USER MOD Single : A 93 LYS NZ :NH3+ -146:sc= -0.666! (180deg=-2.55!) USER MOD Single : A 94 TYR OH : rot 18:sc= 0.168 USER MOD Single : A 95 SER OG : rot 92:sc= -0.05 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 50.121 6.902 -38.945 1.00 0.00 N ATOM 32 CA HIS A 3 49.296 6.217 -37.957 1.00 0.00 C ATOM 33 C HIS A 3 49.390 6.906 -36.600 1.00 0.00 C ATOM 34 O HIS A 3 50.446 7.417 -36.225 1.00 0.00 O ATOM 35 CB HIS A 3 49.729 4.756 -37.832 1.00 0.00 C ATOM 36 CG HIS A 3 49.050 3.843 -38.806 1.00 0.00 C ATOM 37 ND1 HIS A 3 47.982 3.024 -38.657 1.00 0.00 N flip ATOM 38 CD2 HIS A 3 49.463 3.698 -40.113 1.00 0.00 C flip ATOM 39 CE1 HIS A 3 47.772 2.406 -39.864 1.00 0.00 C flip ATOM 40 NE2 HIS A 3 48.679 2.830 -40.726 1.00 0.00 N flip ATOM 0 HA HIS A 3 48.259 6.256 -38.292 1.00 0.00 H new ATOM 0 HB2 HIS A 3 50.807 4.692 -37.978 1.00 0.00 H new ATOM 0 HB3 HIS A 3 49.523 4.410 -36.819 1.00 0.00 H new ATOM 0 HD1 HIS A 3 47.435 2.891 -37.806 1.00 0.00 H new ATOM 0 HD2 HIS A 3 50.297 4.214 -40.565 1.00 0.00 H new ATOM 0 HE1 HIS A 3 46.992 1.689 -40.075 1.00 0.00 H new ATOM 49 N CYS A 4 48.284 6.913 -35.864 1.00 0.00 N ATOM 50 CA CYS A 4 48.250 7.539 -34.544 1.00 0.00 C ATOM 51 C CYS A 4 48.208 6.482 -33.446 1.00 0.00 C ATOM 52 O CYS A 4 47.773 5.354 -33.674 1.00 0.00 O ATOM 53 CB CYS A 4 47.045 8.475 -34.418 1.00 0.00 C ATOM 54 SG CYS A 4 45.681 8.089 -35.564 1.00 0.00 S ATOM 0 H CYS A 4 47.401 6.494 -36.156 1.00 0.00 H new ATOM 0 HA CYS A 4 49.161 8.126 -34.428 1.00 0.00 H new ATOM 0 HB2 CYS A 4 46.670 8.431 -33.396 1.00 0.00 H new ATOM 0 HB3 CYS A 4 47.374 9.499 -34.593 1.00 0.00 H new ATOM 59 N VAL A 5 48.664 6.853 -32.254 1.00 0.00 N ATOM 60 CA VAL A 5 48.680 5.935 -31.122 1.00 0.00 C ATOM 61 C VAL A 5 48.399 6.668 -29.815 1.00 0.00 C ATOM 62 O VAL A 5 48.529 7.891 -29.737 1.00 0.00 O ATOM 63 CB VAL A 5 50.033 5.208 -31.007 1.00 0.00 C ATOM 64 CG1 VAL A 5 50.166 4.148 -32.090 1.00 0.00 C ATOM 65 CG2 VAL A 5 51.182 6.203 -31.082 1.00 0.00 C ATOM 0 H VAL A 5 49.027 7.783 -32.047 1.00 0.00 H new ATOM 0 HA VAL A 5 47.894 5.201 -31.301 1.00 0.00 H new ATOM 0 HB VAL A 5 50.075 4.711 -30.038 1.00 0.00 H new ATOM 0 HG11 VAL A 5 51.128 3.646 -31.991 1.00 0.00 H new ATOM 0 HG12 VAL A 5 49.363 3.418 -31.985 1.00 0.00 H new ATOM 0 HG13 VAL A 5 50.101 4.620 -33.071 1.00 0.00 H new ATOM 0 HG21 VAL A 5 52.130 5.671 -30.999 1.00 0.00 H new ATOM 0 HG22 VAL A 5 51.144 6.731 -32.035 1.00 0.00 H new ATOM 0 HG23 VAL A 5 51.096 6.920 -30.266 1.00 0.00 H new ATOM 75 N THR A 6 48.012 5.914 -28.791 1.00 0.00 N ATOM 76 CA THR A 6 47.711 6.493 -27.487 1.00 0.00 C ATOM 77 C THR A 6 48.979 6.693 -26.665 1.00 0.00 C ATOM 78 O THR A 6 49.142 7.714 -25.996 1.00 0.00 O ATOM 79 CB THR A 6 46.734 5.608 -26.692 1.00 0.00 C ATOM 80 OG1 THR A 6 47.230 4.265 -26.624 1.00 0.00 O ATOM 81 CG2 THR A 6 45.354 5.612 -27.333 1.00 0.00 C ATOM 0 H THR A 6 47.900 4.901 -28.839 1.00 0.00 H new ATOM 0 HA THR A 6 47.246 7.461 -27.673 1.00 0.00 H new ATOM 0 HB THR A 6 46.650 6.015 -25.684 1.00 0.00 H new ATOM 0 HG1 THR A 6 46.603 3.710 -26.115 1.00 0.00 H new ATOM 0 HG21 THR A 6 44.682 4.980 -26.753 1.00 0.00 H new ATOM 0 HG22 THR A 6 44.966 6.630 -27.355 1.00 0.00 H new ATOM 0 HG23 THR A 6 45.425 5.229 -28.351 1.00 0.00 H new ATOM 89 N ASP A 7 49.874 5.712 -26.719 1.00 0.00 N ATOM 90 CA ASP A 7 51.129 5.781 -25.978 1.00 0.00 C ATOM 91 C ASP A 7 52.053 4.633 -26.365 1.00 0.00 C ATOM 92 O ASP A 7 53.270 4.803 -26.453 1.00 0.00 O ATOM 93 CB ASP A 7 50.857 5.746 -24.473 1.00 0.00 C ATOM 94 CG ASP A 7 51.611 6.828 -23.723 1.00 0.00 C ATOM 95 OD1 ASP A 7 52.766 7.118 -24.102 1.00 0.00 O ATOM 96 OD2 ASP A 7 51.046 7.385 -22.759 1.00 0.00 O ATOM 0 H ASP A 7 49.754 4.860 -27.268 1.00 0.00 H new ATOM 0 HA ASP A 7 51.621 6.720 -26.231 1.00 0.00 H new ATOM 0 HB2 ASP A 7 49.788 5.864 -24.297 1.00 0.00 H new ATOM 0 HB3 ASP A 7 51.139 4.770 -24.078 1.00 0.00 H new ATOM 101 N SER A 8 51.467 3.463 -26.596 1.00 0.00 N ATOM 102 CA SER A 8 52.234 2.282 -26.974 1.00 0.00 C ATOM 103 C SER A 8 51.393 1.018 -26.818 1.00 0.00 C ATOM 104 O SER A 8 51.754 0.108 -26.072 1.00 0.00 O ATOM 105 CB SER A 8 53.502 2.175 -26.124 1.00 0.00 C ATOM 106 OG SER A 8 54.025 0.858 -26.150 1.00 0.00 O ATOM 0 H SER A 8 50.461 3.307 -26.528 1.00 0.00 H new ATOM 0 HA SER A 8 52.518 2.383 -28.022 1.00 0.00 H new ATOM 0 HB2 SER A 8 54.252 2.874 -26.494 1.00 0.00 H new ATOM 0 HB3 SER A 8 53.279 2.461 -25.096 1.00 0.00 H new ATOM 0 HG SER A 8 53.404 0.251 -25.696 1.00 0.00 H new ATOM 112 N GLY A 9 50.270 0.972 -27.527 1.00 0.00 N ATOM 113 CA GLY A 9 49.391 -0.181 -27.457 1.00 0.00 C ATOM 114 C GLY A 9 48.359 -0.185 -28.565 1.00 0.00 C ATOM 115 O GLY A 9 48.171 -1.193 -29.248 1.00 0.00 O ATOM 0 H GLY A 9 49.952 1.714 -28.150 1.00 0.00 H new ATOM 0 HA2 GLY A 9 49.986 -1.093 -27.514 1.00 0.00 H new ATOM 0 HA3 GLY A 9 48.885 -0.191 -26.492 1.00 0.00 H new ATOM 119 N VAL A 10 47.694 0.948 -28.749 1.00 0.00 N ATOM 120 CA VAL A 10 46.678 1.083 -29.785 1.00 0.00 C ATOM 121 C VAL A 10 47.281 1.657 -31.062 1.00 0.00 C ATOM 122 O VAL A 10 48.248 2.418 -31.013 1.00 0.00 O ATOM 123 CB VAL A 10 45.518 1.984 -29.324 1.00 0.00 C ATOM 124 CG1 VAL A 10 44.301 1.787 -30.215 1.00 0.00 C ATOM 125 CG2 VAL A 10 45.172 1.708 -27.869 1.00 0.00 C ATOM 0 H VAL A 10 47.841 1.790 -28.192 1.00 0.00 H new ATOM 0 HA VAL A 10 46.288 0.085 -29.983 1.00 0.00 H new ATOM 0 HB VAL A 10 45.836 3.023 -29.407 1.00 0.00 H new ATOM 0 HG11 VAL A 10 43.492 2.432 -29.873 1.00 0.00 H new ATOM 0 HG12 VAL A 10 44.558 2.041 -31.243 1.00 0.00 H new ATOM 0 HG13 VAL A 10 43.980 0.746 -30.168 1.00 0.00 H new ATOM 0 HG21 VAL A 10 44.350 2.354 -27.562 1.00 0.00 H new ATOM 0 HG22 VAL A 10 44.875 0.665 -27.757 1.00 0.00 H new ATOM 0 HG23 VAL A 10 46.043 1.906 -27.244 1.00 0.00 H new ATOM 135 N VAL A 11 46.712 1.285 -32.202 1.00 0.00 N ATOM 136 CA VAL A 11 47.204 1.763 -33.487 1.00 0.00 C ATOM 137 C VAL A 11 46.095 2.420 -34.301 1.00 0.00 C ATOM 138 O VAL A 11 45.320 1.742 -34.976 1.00 0.00 O ATOM 139 CB VAL A 11 47.822 0.619 -34.313 1.00 0.00 C ATOM 140 CG1 VAL A 11 48.366 1.146 -35.632 1.00 0.00 C ATOM 141 CG2 VAL A 11 48.914 -0.083 -33.520 1.00 0.00 C ATOM 0 H VAL A 11 45.912 0.656 -32.263 1.00 0.00 H new ATOM 0 HA VAL A 11 47.973 2.504 -33.269 1.00 0.00 H new ATOM 0 HB VAL A 11 47.041 -0.108 -34.534 1.00 0.00 H new ATOM 0 HG11 VAL A 11 48.799 0.324 -36.202 1.00 0.00 H new ATOM 0 HG12 VAL A 11 47.556 1.598 -36.205 1.00 0.00 H new ATOM 0 HG13 VAL A 11 49.134 1.895 -35.436 1.00 0.00 H new ATOM 0 HG21 VAL A 11 49.339 -0.888 -34.120 1.00 0.00 H new ATOM 0 HG22 VAL A 11 49.696 0.632 -33.266 1.00 0.00 H new ATOM 0 HG23 VAL A 11 48.490 -0.497 -32.605 1.00 0.00 H new ATOM 151 N TYR A 12 46.030 3.745 -34.235 1.00 0.00 N ATOM 152 CA TYR A 12 45.023 4.502 -34.968 1.00 0.00 C ATOM 153 C TYR A 12 45.574 4.962 -36.315 1.00 0.00 C ATOM 154 O TYR A 12 46.665 4.560 -36.720 1.00 0.00 O ATOM 155 CB TYR A 12 44.572 5.716 -34.154 1.00 0.00 C ATOM 156 CG TYR A 12 43.787 5.362 -32.913 1.00 0.00 C ATOM 157 CD1 TYR A 12 42.477 4.909 -33.002 1.00 0.00 C ATOM 158 CD2 TYR A 12 44.357 5.485 -31.653 1.00 0.00 C ATOM 159 CE1 TYR A 12 41.757 4.587 -31.868 1.00 0.00 C ATOM 160 CE2 TYR A 12 43.644 5.164 -30.514 1.00 0.00 C ATOM 161 CZ TYR A 12 42.345 4.715 -30.626 1.00 0.00 C ATOM 162 OH TYR A 12 41.630 4.394 -29.494 1.00 0.00 O ATOM 0 H TYR A 12 46.665 4.318 -33.680 1.00 0.00 H new ATOM 0 HA TYR A 12 44.166 3.851 -35.141 1.00 0.00 H new ATOM 0 HB2 TYR A 12 45.450 6.294 -33.865 1.00 0.00 H new ATOM 0 HB3 TYR A 12 43.961 6.360 -34.787 1.00 0.00 H new ATOM 0 HD1 TYR A 12 42.014 4.807 -33.973 1.00 0.00 H new ATOM 0 HD2 TYR A 12 45.374 5.837 -31.562 1.00 0.00 H new ATOM 0 HE1 TYR A 12 40.739 4.237 -31.953 1.00 0.00 H new ATOM 0 HE2 TYR A 12 44.102 5.264 -29.541 1.00 0.00 H new ATOM 0 HH TYR A 12 40.858 4.993 -29.414 1.00 0.00 H new ATOM 172 N SER A 13 44.818 5.814 -36.996 1.00 0.00 N ATOM 173 CA SER A 13 45.233 6.339 -38.290 1.00 0.00 C ATOM 174 C SER A 13 44.871 7.813 -38.417 1.00 0.00 C ATOM 175 O SER A 13 43.766 8.222 -38.065 1.00 0.00 O ATOM 176 CB SER A 13 44.588 5.541 -39.421 1.00 0.00 C ATOM 177 OG SER A 13 45.281 4.327 -39.651 1.00 0.00 O ATOM 0 H SER A 13 43.913 6.156 -36.673 1.00 0.00 H new ATOM 0 HA SER A 13 46.316 6.242 -38.364 1.00 0.00 H new ATOM 0 HB2 SER A 13 43.548 5.328 -39.172 1.00 0.00 H new ATOM 0 HB3 SER A 13 44.582 6.138 -40.333 1.00 0.00 H new ATOM 0 HG SER A 13 46.052 4.271 -39.048 1.00 0.00 H new ATOM 183 N VAL A 14 45.816 8.604 -38.915 1.00 0.00 N ATOM 184 CA VAL A 14 45.613 10.038 -39.087 1.00 0.00 C ATOM 185 C VAL A 14 44.164 10.366 -39.434 1.00 0.00 C ATOM 186 O VAL A 14 43.796 10.441 -40.606 1.00 0.00 O ATOM 187 CB VAL A 14 46.533 10.607 -40.184 1.00 0.00 C ATOM 188 CG1 VAL A 14 46.378 9.820 -41.475 1.00 0.00 C ATOM 189 CG2 VAL A 14 46.242 12.082 -40.412 1.00 0.00 C ATOM 0 H VAL A 14 46.735 8.273 -39.208 1.00 0.00 H new ATOM 0 HA VAL A 14 45.861 10.502 -38.132 1.00 0.00 H new ATOM 0 HB VAL A 14 47.566 10.511 -39.851 1.00 0.00 H new ATOM 0 HG11 VAL A 14 47.036 10.238 -42.237 1.00 0.00 H new ATOM 0 HG12 VAL A 14 46.642 8.777 -41.299 1.00 0.00 H new ATOM 0 HG13 VAL A 14 45.344 9.880 -41.816 1.00 0.00 H new ATOM 0 HG21 VAL A 14 46.901 12.467 -41.190 1.00 0.00 H new ATOM 0 HG22 VAL A 14 45.204 12.204 -40.722 1.00 0.00 H new ATOM 0 HG23 VAL A 14 46.412 12.634 -39.487 1.00 0.00 H new ATOM 199 N GLY A 15 43.352 10.568 -38.403 1.00 0.00 N ATOM 200 CA GLY A 15 41.953 10.895 -38.609 1.00 0.00 C ATOM 201 C GLY A 15 41.031 9.715 -38.380 1.00 0.00 C ATOM 202 O GLY A 15 40.041 9.547 -39.091 1.00 0.00 O ATOM 0 H GLY A 15 43.638 10.511 -37.426 1.00 0.00 H new ATOM 0 HA2 GLY A 15 41.672 11.705 -37.936 1.00 0.00 H new ATOM 0 HA3 GLY A 15 41.817 11.264 -39.626 1.00 0.00 H new ATOM 206 N MET A 16 41.350 8.898 -37.383 1.00 0.00 N ATOM 207 CA MET A 16 40.534 7.735 -37.062 1.00 0.00 C ATOM 208 C MET A 16 39.473 8.092 -36.030 1.00 0.00 C ATOM 209 O MET A 16 38.369 7.545 -36.043 1.00 0.00 O ATOM 210 CB MET A 16 41.410 6.595 -36.538 1.00 0.00 C ATOM 211 CG MET A 16 41.642 5.491 -37.556 1.00 0.00 C ATOM 212 SD MET A 16 40.421 4.170 -37.439 1.00 0.00 S ATOM 213 CE MET A 16 41.351 2.926 -36.549 1.00 0.00 C ATOM 0 H MET A 16 42.167 9.020 -36.784 1.00 0.00 H new ATOM 0 HA MET A 16 40.037 7.406 -37.975 1.00 0.00 H new ATOM 0 HB2 MET A 16 42.373 7.001 -36.228 1.00 0.00 H new ATOM 0 HB3 MET A 16 40.944 6.168 -35.650 1.00 0.00 H new ATOM 0 HG2 MET A 16 41.616 5.916 -38.559 1.00 0.00 H new ATOM 0 HG3 MET A 16 42.638 5.073 -37.412 1.00 0.00 H new ATOM 0 HE1 MET A 16 40.728 2.044 -36.399 1.00 0.00 H new ATOM 0 HE2 MET A 16 42.235 2.652 -37.124 1.00 0.00 H new ATOM 0 HE3 MET A 16 41.657 3.323 -35.581 1.00 0.00 H new ATOM 223 N GLN A 17 39.814 9.017 -35.138 1.00 0.00 N ATOM 224 CA GLN A 17 38.892 9.455 -34.097 1.00 0.00 C ATOM 225 C GLN A 17 38.437 8.278 -33.241 1.00 0.00 C ATOM 226 O GLN A 17 38.140 7.201 -33.756 1.00 0.00 O ATOM 227 CB GLN A 17 37.679 10.149 -34.719 1.00 0.00 C ATOM 228 CG GLN A 17 37.639 11.647 -34.464 1.00 0.00 C ATOM 229 CD GLN A 17 36.243 12.147 -34.147 1.00 0.00 C ATOM 230 OE1 GLN A 17 35.722 13.035 -34.821 1.00 0.00 O ATOM 231 NE2 GLN A 17 35.631 11.578 -33.116 1.00 0.00 N ATOM 0 H GLN A 17 40.724 9.478 -35.116 1.00 0.00 H new ATOM 0 HA GLN A 17 39.418 10.163 -33.457 1.00 0.00 H new ATOM 0 HB2 GLN A 17 37.681 9.972 -35.794 1.00 0.00 H new ATOM 0 HB3 GLN A 17 36.770 9.697 -34.323 1.00 0.00 H new ATOM 0 HG2 GLN A 17 38.304 11.889 -33.635 1.00 0.00 H new ATOM 0 HG3 GLN A 17 38.018 12.171 -35.341 1.00 0.00 H new ATOM 0 HE21 GLN A 17 36.101 10.845 -32.585 1.00 0.00 H new ATOM 0 HE22 GLN A 17 34.690 11.874 -32.855 1.00 0.00 H new ATOM 240 N TRP A 18 38.384 8.490 -31.931 1.00 0.00 N ATOM 241 CA TRP A 18 37.966 7.443 -31.007 1.00 0.00 C ATOM 242 C TRP A 18 37.669 8.017 -29.626 1.00 0.00 C ATOM 243 O TRP A 18 37.723 9.229 -29.420 1.00 0.00 O ATOM 244 CB TRP A 18 39.044 6.363 -30.904 1.00 0.00 C ATOM 245 CG TRP A 18 40.263 6.806 -30.152 1.00 0.00 C ATOM 246 CD1 TRP A 18 40.464 6.731 -28.804 1.00 0.00 C ATOM 247 CD2 TRP A 18 41.448 7.393 -30.703 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.701 7.233 -28.483 1.00 0.00 N ATOM 249 CE2 TRP A 18 42.325 7.647 -29.631 1.00 0.00 C ATOM 250 CE3 TRP A 18 41.855 7.728 -31.998 1.00 0.00 C ATOM 251 CZ2 TRP A 18 43.582 8.220 -29.816 1.00 0.00 C ATOM 252 CZ3 TRP A 18 43.101 8.297 -32.179 1.00 0.00 C ATOM 253 CH2 TRP A 18 43.951 8.536 -31.093 1.00 0.00 C ATOM 0 H TRP A 18 38.625 9.376 -31.486 1.00 0.00 H new ATOM 0 HA TRP A 18 37.051 6.997 -31.396 1.00 0.00 H new ATOM 0 HB2 TRP A 18 38.623 5.486 -30.413 1.00 0.00 H new ATOM 0 HB3 TRP A 18 39.337 6.056 -31.908 1.00 0.00 H new ATOM 0 HD1 TRP A 18 39.754 6.335 -28.094 1.00 0.00 H new ATOM 0 HE1 TRP A 18 42.092 7.289 -27.543 1.00 0.00 H new ATOM 0 HE3 TRP A 18 41.207 7.545 -32.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 44.240 8.407 -28.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 43.424 8.562 -33.175 1.00 0.00 H new ATOM 0 HH2 TRP A 18 44.920 8.980 -31.268 1.00 0.00 H new ATOM 264 N LEU A 19 37.362 7.134 -28.683 1.00 0.00 N ATOM 265 CA LEU A 19 37.062 7.543 -27.316 1.00 0.00 C ATOM 266 C LEU A 19 37.892 6.730 -26.330 1.00 0.00 C ATOM 267 O LEU A 19 37.639 5.545 -26.117 1.00 0.00 O ATOM 268 CB LEU A 19 35.569 7.370 -27.017 1.00 0.00 C ATOM 269 CG LEU A 19 35.098 7.964 -25.686 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.807 9.450 -25.833 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.865 7.234 -25.181 1.00 0.00 C ATOM 0 H LEU A 19 37.314 6.127 -28.841 1.00 0.00 H new ATOM 0 HA LEU A 19 37.317 8.597 -27.208 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.998 7.829 -27.824 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.334 6.306 -27.025 1.00 0.00 H new ATOM 0 HG LEU A 19 35.899 7.839 -24.957 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.474 9.852 -24.876 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.712 9.968 -26.149 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.026 9.596 -26.579 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.546 7.671 -24.235 1.00 0.00 H new ATOM 0 HD22 LEU A 19 33.062 7.327 -25.912 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.101 6.180 -25.033 1.00 0.00 H new ATOM 283 N LYS A 20 38.889 7.375 -25.736 1.00 0.00 N ATOM 284 CA LYS A 20 39.764 6.711 -24.780 1.00 0.00 C ATOM 285 C LYS A 20 39.101 6.602 -23.410 1.00 0.00 C ATOM 286 O LYS A 20 38.312 7.462 -23.019 1.00 0.00 O ATOM 287 CB LYS A 20 41.087 7.470 -24.662 1.00 0.00 C ATOM 288 CG LYS A 20 42.077 6.819 -23.713 1.00 0.00 C ATOM 289 CD LYS A 20 42.813 5.670 -24.380 1.00 0.00 C ATOM 290 CE LYS A 20 42.382 4.328 -23.813 1.00 0.00 C ATOM 291 NZ LYS A 20 43.404 3.271 -24.045 1.00 0.00 N ATOM 0 H LYS A 20 39.111 8.357 -25.900 1.00 0.00 H new ATOM 0 HA LYS A 20 39.959 5.703 -25.145 1.00 0.00 H new ATOM 0 HB2 LYS A 20 41.541 7.549 -25.650 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.885 8.486 -24.322 1.00 0.00 H new ATOM 0 HG2 LYS A 20 42.796 7.563 -23.369 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.551 6.453 -22.831 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.624 5.690 -25.453 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.887 5.796 -24.243 1.00 0.00 H new ATOM 0 HE2 LYS A 20 42.200 4.428 -22.743 1.00 0.00 H new ATOM 0 HE3 LYS A 20 41.439 4.027 -24.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.071 2.372 -23.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 43.560 3.157 -25.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.297 3.545 -23.587 1.00 0.00 H new ATOM 379 N GLN A 26 36.007 8.672 -18.524 1.00 0.00 N ATOM 380 CA GLN A 26 35.829 8.685 -19.971 1.00 0.00 C ATOM 381 C GLN A 26 36.650 9.804 -20.605 1.00 0.00 C ATOM 382 O GLN A 26 36.963 10.800 -19.952 1.00 0.00 O ATOM 383 CB GLN A 26 34.349 8.856 -20.324 1.00 0.00 C ATOM 384 CG GLN A 26 33.745 7.641 -21.008 1.00 0.00 C ATOM 385 CD GLN A 26 32.775 6.890 -20.115 1.00 0.00 C ATOM 386 OE1 GLN A 26 33.158 5.953 -19.415 1.00 0.00 O ATOM 387 NE2 GLN A 26 31.512 7.298 -20.139 1.00 0.00 N ATOM 0 HA GLN A 26 36.179 7.731 -20.366 1.00 0.00 H new ATOM 0 HB2 GLN A 26 33.788 9.067 -19.413 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.237 9.723 -20.975 1.00 0.00 H new ATOM 0 HG2 GLN A 26 33.228 7.958 -21.914 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.545 6.968 -21.317 1.00 0.00 H new ATOM 0 HE21 GLN A 26 31.240 8.080 -20.735 1.00 0.00 H new ATOM 0 HE22 GLN A 26 30.814 6.830 -19.561 1.00 0.00 H new ATOM 396 N MET A 27 37.001 9.634 -21.876 1.00 0.00 N ATOM 397 CA MET A 27 37.791 10.634 -22.585 1.00 0.00 C ATOM 398 C MET A 27 37.743 10.404 -24.093 1.00 0.00 C ATOM 399 O MET A 27 38.019 9.306 -24.572 1.00 0.00 O ATOM 400 CB MET A 27 39.241 10.595 -22.099 1.00 0.00 C ATOM 401 CG MET A 27 39.918 11.954 -22.087 1.00 0.00 C ATOM 402 SD MET A 27 41.415 11.991 -23.090 1.00 0.00 S ATOM 403 CE MET A 27 42.575 12.728 -21.942 1.00 0.00 C ATOM 0 H MET A 27 36.752 8.817 -22.434 1.00 0.00 H new ATOM 0 HA MET A 27 37.365 11.615 -22.375 1.00 0.00 H new ATOM 0 HB2 MET A 27 39.266 10.178 -21.092 1.00 0.00 H new ATOM 0 HB3 MET A 27 39.811 9.921 -22.738 1.00 0.00 H new ATOM 0 HG2 MET A 27 39.220 12.707 -22.454 1.00 0.00 H new ATOM 0 HG3 MET A 27 40.166 12.223 -21.060 1.00 0.00 H new ATOM 0 HE1 MET A 27 43.551 12.818 -22.418 1.00 0.00 H new ATOM 0 HE2 MET A 27 42.221 13.717 -21.652 1.00 0.00 H new ATOM 0 HE3 MET A 27 42.660 12.099 -21.056 1.00 0.00 H new ATOM 413 N LEU A 28 37.402 11.453 -24.835 1.00 0.00 N ATOM 414 CA LEU A 28 37.329 11.372 -26.291 1.00 0.00 C ATOM 415 C LEU A 28 38.667 11.759 -26.908 1.00 0.00 C ATOM 416 O LEU A 28 39.095 12.907 -26.805 1.00 0.00 O ATOM 417 CB LEU A 28 36.227 12.293 -26.818 1.00 0.00 C ATOM 418 CG LEU A 28 36.097 12.339 -28.341 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.887 11.538 -28.795 1.00 0.00 C ATOM 420 CD2 LEU A 28 35.997 13.778 -28.823 1.00 0.00 C ATOM 0 H LEU A 28 37.172 12.370 -24.452 1.00 0.00 H new ATOM 0 HA LEU A 28 37.095 10.345 -26.570 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.274 11.973 -26.397 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.413 13.303 -26.454 1.00 0.00 H new ATOM 0 HG LEU A 28 36.990 11.892 -28.778 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.809 11.581 -29.881 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.998 10.500 -28.480 1.00 0.00 H new ATOM 0 HD13 LEU A 28 33.985 11.957 -28.350 1.00 0.00 H new ATOM 0 HD21 LEU A 28 35.905 13.792 -29.909 1.00 0.00 H new ATOM 0 HD22 LEU A 28 35.121 14.251 -28.378 1.00 0.00 H new ATOM 0 HD23 LEU A 28 36.893 14.324 -28.527 1.00 0.00 H new ATOM 432 N CYS A 29 39.330 10.796 -27.537 1.00 0.00 N ATOM 433 CA CYS A 29 40.628 11.046 -28.156 1.00 0.00 C ATOM 434 C CYS A 29 40.520 11.083 -29.677 1.00 0.00 C ATOM 435 O CYS A 29 39.703 10.379 -30.271 1.00 0.00 O ATOM 436 CB CYS A 29 41.629 9.971 -27.731 1.00 0.00 C ATOM 437 SG CYS A 29 42.649 10.416 -26.286 1.00 0.00 S ATOM 0 H CYS A 29 38.993 9.838 -27.632 1.00 0.00 H new ATOM 0 HA CYS A 29 40.978 12.021 -27.817 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.084 9.054 -27.507 1.00 0.00 H new ATOM 0 HB3 CYS A 29 42.288 9.753 -28.572 1.00 0.00 H new ATOM 442 N THR A 30 41.359 11.904 -30.302 1.00 0.00 N ATOM 443 CA THR A 30 41.371 12.033 -31.755 1.00 0.00 C ATOM 444 C THR A 30 42.759 12.404 -32.257 1.00 0.00 C ATOM 445 O THR A 30 43.428 13.262 -31.681 1.00 0.00 O ATOM 446 CB THR A 30 40.376 13.102 -32.243 1.00 0.00 C ATOM 447 OG1 THR A 30 39.051 12.782 -31.801 1.00 0.00 O ATOM 448 CG2 THR A 30 40.400 13.206 -33.763 1.00 0.00 C ATOM 0 H THR A 30 42.041 12.491 -29.823 1.00 0.00 H new ATOM 0 HA THR A 30 41.077 11.062 -32.154 1.00 0.00 H new ATOM 0 HB THR A 30 40.673 14.063 -31.822 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.427 13.469 -32.115 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.690 13.967 -34.087 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.402 13.481 -34.093 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.125 12.245 -34.198 1.00 0.00 H new ATOM 456 N CYS A 31 43.183 11.766 -33.340 1.00 0.00 N ATOM 457 CA CYS A 31 44.486 12.048 -33.918 1.00 0.00 C ATOM 458 C CYS A 31 44.333 12.870 -35.190 1.00 0.00 C ATOM 459 O CYS A 31 43.886 12.366 -36.221 1.00 0.00 O ATOM 460 CB CYS A 31 45.240 10.750 -34.203 1.00 0.00 C ATOM 461 SG CYS A 31 44.342 9.583 -35.268 1.00 0.00 S ATOM 0 H CYS A 31 42.645 11.053 -33.833 1.00 0.00 H new ATOM 0 HA CYS A 31 45.066 12.627 -33.199 1.00 0.00 H new ATOM 0 HB2 CYS A 31 46.193 10.993 -34.672 1.00 0.00 H new ATOM 0 HB3 CYS A 31 45.467 10.260 -33.256 1.00 0.00 H new ATOM 466 N LEU A 32 44.695 14.143 -35.102 1.00 0.00 N ATOM 467 CA LEU A 32 44.588 15.052 -36.238 1.00 0.00 C ATOM 468 C LEU A 32 45.749 14.856 -37.210 1.00 0.00 C ATOM 469 O LEU A 32 45.710 13.971 -38.062 1.00 0.00 O ATOM 470 CB LEU A 32 44.540 16.507 -35.757 1.00 0.00 C ATOM 471 CG LEU A 32 45.225 16.773 -34.415 1.00 0.00 C ATOM 472 CD1 LEU A 32 45.874 18.147 -34.406 1.00 0.00 C ATOM 473 CD2 LEU A 32 44.225 16.643 -33.275 1.00 0.00 C ATOM 0 H LEU A 32 45.066 14.571 -34.254 1.00 0.00 H new ATOM 0 HA LEU A 32 43.661 14.824 -36.764 1.00 0.00 H new ATOM 0 HB2 LEU A 32 45.004 17.139 -36.515 1.00 0.00 H new ATOM 0 HB3 LEU A 32 43.497 16.813 -35.681 1.00 0.00 H new ATOM 0 HG LEU A 32 46.008 16.028 -34.274 1.00 0.00 H new ATOM 0 HD11 LEU A 32 46.355 18.316 -33.443 1.00 0.00 H new ATOM 0 HD12 LEU A 32 46.620 18.202 -35.199 1.00 0.00 H new ATOM 0 HD13 LEU A 32 45.113 18.910 -34.570 1.00 0.00 H new ATOM 0 HD21 LEU A 32 44.727 16.835 -32.327 1.00 0.00 H new ATOM 0 HD22 LEU A 32 43.421 17.366 -33.412 1.00 0.00 H new ATOM 0 HD23 LEU A 32 43.810 15.635 -33.268 1.00 0.00 H new ATOM 485 N GLY A 33 46.782 15.685 -37.081 1.00 0.00 N ATOM 486 CA GLY A 33 47.930 15.574 -37.961 1.00 0.00 C ATOM 487 C GLY A 33 49.242 15.785 -37.235 1.00 0.00 C ATOM 488 O GLY A 33 50.226 15.094 -37.500 1.00 0.00 O ATOM 0 H GLY A 33 46.843 16.428 -36.385 1.00 0.00 H new ATOM 0 HA2 GLY A 33 47.932 14.589 -38.428 1.00 0.00 H new ATOM 0 HA3 GLY A 33 47.841 16.307 -38.763 1.00 0.00 H new ATOM 492 N ASN A 34 49.257 16.743 -36.317 1.00 0.00 N ATOM 493 CA ASN A 34 50.458 17.045 -35.547 1.00 0.00 C ATOM 494 C ASN A 34 50.616 16.071 -34.384 1.00 0.00 C ATOM 495 O ASN A 34 51.731 15.785 -33.948 1.00 0.00 O ATOM 496 CB ASN A 34 50.414 18.483 -35.023 1.00 0.00 C ATOM 497 CG ASN A 34 49.013 18.924 -34.644 1.00 0.00 C ATOM 498 OD1 ASN A 34 48.143 19.071 -35.503 1.00 0.00 O ATOM 499 ND2 ASN A 34 48.788 19.136 -33.353 1.00 0.00 N ATOM 0 H ASN A 34 48.451 17.325 -36.087 1.00 0.00 H new ATOM 0 HA ASN A 34 51.317 16.938 -36.209 1.00 0.00 H new ATOM 0 HB2 ASN A 34 51.065 18.569 -34.153 1.00 0.00 H new ATOM 0 HB3 ASN A 34 50.809 19.155 -35.785 1.00 0.00 H new ATOM 0 HD21 ASN A 34 47.864 19.433 -33.038 1.00 0.00 H new ATOM 0 HD22 ASN A 34 49.539 19.002 -32.676 1.00 0.00 H new ATOM 506 N GLY A 35 49.493 15.565 -33.886 1.00 0.00 N ATOM 507 CA GLY A 35 49.528 14.627 -32.778 1.00 0.00 C ATOM 508 C GLY A 35 48.178 13.994 -32.510 1.00 0.00 C ATOM 509 O GLY A 35 47.461 13.624 -33.440 1.00 0.00 O ATOM 0 H GLY A 35 48.559 15.787 -34.230 1.00 0.00 H new ATOM 0 HA2 GLY A 35 50.256 13.845 -32.992 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.868 15.143 -31.880 1.00 0.00 H new ATOM 513 N VAL A 36 47.828 13.872 -31.233 1.00 0.00 N ATOM 514 CA VAL A 36 46.553 13.283 -30.842 1.00 0.00 C ATOM 515 C VAL A 36 45.906 14.087 -29.719 1.00 0.00 C ATOM 516 O VAL A 36 46.407 14.121 -28.595 1.00 0.00 O ATOM 517 CB VAL A 36 46.719 11.815 -30.390 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.480 11.332 -29.648 1.00 0.00 C ATOM 519 CG2 VAL A 36 47.009 10.918 -31.583 1.00 0.00 C ATOM 0 H VAL A 36 48.410 14.174 -30.452 1.00 0.00 H new ATOM 0 HA VAL A 36 45.909 13.305 -31.721 1.00 0.00 H new ATOM 0 HB VAL A 36 47.566 11.765 -29.706 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.621 10.296 -29.340 1.00 0.00 H new ATOM 0 HG12 VAL A 36 45.318 11.954 -28.767 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.613 11.400 -30.305 1.00 0.00 H new ATOM 0 HG21 VAL A 36 47.123 9.888 -31.245 1.00 0.00 H new ATOM 0 HG22 VAL A 36 46.184 10.978 -32.292 1.00 0.00 H new ATOM 0 HG23 VAL A 36 47.929 11.244 -32.068 1.00 0.00 H new ATOM 529 N SER A 37 44.788 14.733 -30.033 1.00 0.00 N ATOM 530 CA SER A 37 44.067 15.539 -29.055 1.00 0.00 C ATOM 531 C SER A 37 42.854 14.783 -28.525 1.00 0.00 C ATOM 532 O SER A 37 42.321 13.900 -29.197 1.00 0.00 O ATOM 533 CB SER A 37 43.624 16.863 -29.681 1.00 0.00 C ATOM 534 OG SER A 37 42.818 17.607 -28.785 1.00 0.00 O ATOM 0 H SER A 37 44.361 14.714 -30.959 1.00 0.00 H new ATOM 0 HA SER A 37 44.739 15.748 -28.222 1.00 0.00 H new ATOM 0 HB2 SER A 37 44.500 17.449 -29.958 1.00 0.00 H new ATOM 0 HB3 SER A 37 43.068 16.667 -30.598 1.00 0.00 H new ATOM 0 HG SER A 37 42.550 18.449 -29.208 1.00 0.00 H new ATOM 540 N CYS A 38 42.423 15.131 -27.318 1.00 0.00 N ATOM 541 CA CYS A 38 41.274 14.476 -26.708 1.00 0.00 C ATOM 542 C CYS A 38 40.491 15.441 -25.825 1.00 0.00 C ATOM 543 O CYS A 38 40.841 16.615 -25.703 1.00 0.00 O ATOM 544 CB CYS A 38 41.727 13.272 -25.882 1.00 0.00 C ATOM 545 SG CYS A 38 43.132 12.361 -26.602 1.00 0.00 S ATOM 0 H CYS A 38 42.850 15.859 -26.746 1.00 0.00 H new ATOM 0 HA CYS A 38 40.619 14.138 -27.511 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.002 13.613 -24.884 1.00 0.00 H new ATOM 0 HB3 CYS A 38 40.886 12.588 -25.765 1.00 0.00 H new ATOM 550 N GLN A 39 39.429 14.932 -25.206 1.00 0.00 N ATOM 551 CA GLN A 39 38.590 15.741 -24.328 1.00 0.00 C ATOM 552 C GLN A 39 38.278 14.988 -23.039 1.00 0.00 C ATOM 553 O GLN A 39 37.439 14.088 -23.021 1.00 0.00 O ATOM 554 CB GLN A 39 37.290 16.120 -25.040 1.00 0.00 C ATOM 555 CG GLN A 39 37.065 17.620 -25.138 1.00 0.00 C ATOM 556 CD GLN A 39 37.587 18.205 -26.436 1.00 0.00 C ATOM 557 OE1 GLN A 39 38.533 18.993 -26.439 1.00 0.00 O ATOM 558 NE2 GLN A 39 36.971 17.823 -27.548 1.00 0.00 N ATOM 0 H GLN A 39 39.129 13.961 -25.297 1.00 0.00 H new ATOM 0 HA GLN A 39 39.135 16.651 -24.076 1.00 0.00 H new ATOM 0 HB2 GLN A 39 37.299 15.696 -26.044 1.00 0.00 H new ATOM 0 HB3 GLN A 39 36.451 15.669 -24.511 1.00 0.00 H new ATOM 0 HG2 GLN A 39 35.999 17.830 -25.052 1.00 0.00 H new ATOM 0 HG3 GLN A 39 37.556 18.113 -24.299 1.00 0.00 H new ATOM 0 HE21 GLN A 39 36.191 17.168 -27.499 1.00 0.00 H new ATOM 0 HE22 GLN A 39 37.278 18.185 -28.451 1.00 0.00 H new ATOM 636 N GLN A 45 28.544 22.527 -20.737 1.00 0.00 N ATOM 637 CA GLN A 45 27.417 23.225 -20.130 1.00 0.00 C ATOM 638 C GLN A 45 26.261 23.353 -21.117 1.00 0.00 C ATOM 639 O GLN A 45 26.454 23.255 -22.329 1.00 0.00 O ATOM 640 CB GLN A 45 27.845 24.612 -19.647 1.00 0.00 C ATOM 641 CG GLN A 45 29.194 24.625 -18.947 1.00 0.00 C ATOM 642 CD GLN A 45 29.236 25.586 -17.775 1.00 0.00 C ATOM 643 OE1 GLN A 45 28.271 25.703 -17.018 1.00 0.00 O ATOM 644 NE2 GLN A 45 30.357 26.281 -17.619 1.00 0.00 N ATOM 0 HA GLN A 45 27.080 22.639 -19.275 1.00 0.00 H new ATOM 0 HB2 GLN A 45 27.882 25.289 -20.500 1.00 0.00 H new ATOM 0 HB3 GLN A 45 27.088 24.999 -18.965 1.00 0.00 H new ATOM 0 HG2 GLN A 45 29.426 23.620 -18.596 1.00 0.00 H new ATOM 0 HG3 GLN A 45 29.968 24.899 -19.664 1.00 0.00 H new ATOM 0 HE21 GLN A 45 31.132 26.152 -18.270 1.00 0.00 H new ATOM 0 HE22 GLN A 45 30.443 26.943 -16.848 1.00 0.00 H new ATOM 653 N THR A 46 25.063 23.576 -20.591 1.00 0.00 N ATOM 654 CA THR A 46 23.877 23.720 -21.426 1.00 0.00 C ATOM 655 C THR A 46 22.891 24.705 -20.808 1.00 0.00 C ATOM 656 O THR A 46 22.871 24.895 -19.592 1.00 0.00 O ATOM 657 CB THR A 46 23.171 22.368 -21.638 1.00 0.00 C ATOM 658 OG1 THR A 46 22.466 21.992 -20.449 1.00 0.00 O ATOM 659 CG2 THR A 46 24.176 21.285 -22.001 1.00 0.00 C ATOM 0 H THR A 46 24.887 23.661 -19.590 1.00 0.00 H new ATOM 0 HA THR A 46 24.212 24.100 -22.391 1.00 0.00 H new ATOM 0 HB THR A 46 22.464 22.477 -22.460 1.00 0.00 H new ATOM 0 HG1 THR A 46 22.397 21.015 -20.405 1.00 0.00 H new ATOM 0 HG21 THR A 46 23.655 20.339 -22.146 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.691 21.560 -22.921 1.00 0.00 H new ATOM 0 HG23 THR A 46 24.903 21.179 -21.196 1.00 0.00 H new ATOM 667 N TYR A 47 22.077 25.331 -21.651 1.00 0.00 N ATOM 668 CA TYR A 47 21.092 26.297 -21.181 1.00 0.00 C ATOM 669 C TYR A 47 19.831 26.263 -22.038 1.00 0.00 C ATOM 670 O TYR A 47 19.777 25.573 -23.055 1.00 0.00 O ATOM 671 CB TYR A 47 21.686 27.708 -21.187 1.00 0.00 C ATOM 672 CG TYR A 47 22.488 28.036 -22.429 1.00 0.00 C ATOM 673 CD1 TYR A 47 22.100 27.567 -23.680 1.00 0.00 C ATOM 674 CD2 TYR A 47 23.631 28.821 -22.351 1.00 0.00 C ATOM 675 CE1 TYR A 47 22.829 27.872 -24.814 1.00 0.00 C ATOM 676 CE2 TYR A 47 24.365 29.129 -23.481 1.00 0.00 C ATOM 677 CZ TYR A 47 23.960 28.652 -24.709 1.00 0.00 C ATOM 678 OH TYR A 47 24.688 28.959 -25.836 1.00 0.00 O ATOM 0 H TYR A 47 22.080 25.187 -22.661 1.00 0.00 H new ATOM 0 HA TYR A 47 20.820 26.025 -20.161 1.00 0.00 H new ATOM 0 HB2 TYR A 47 20.877 28.432 -21.088 1.00 0.00 H new ATOM 0 HB3 TYR A 47 22.326 27.825 -20.313 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.215 26.955 -23.766 1.00 0.00 H new ATOM 0 HD2 TYR A 47 23.952 29.197 -21.391 1.00 0.00 H new ATOM 0 HE1 TYR A 47 22.514 27.501 -25.778 1.00 0.00 H new ATOM 0 HE2 TYR A 47 25.252 29.741 -23.402 1.00 0.00 H new ATOM 0 HH TYR A 47 24.984 28.132 -26.270 1.00 0.00 H new ATOM 688 N GLY A 48 18.821 27.018 -21.618 1.00 0.00 N ATOM 689 CA GLY A 48 17.571 27.071 -22.353 1.00 0.00 C ATOM 690 C GLY A 48 17.216 25.747 -22.999 1.00 0.00 C ATOM 691 O GLY A 48 17.488 24.684 -22.443 1.00 0.00 O ATOM 0 H GLY A 48 18.847 27.596 -20.778 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.769 27.367 -21.677 1.00 0.00 H new ATOM 0 HA3 GLY A 48 17.639 27.840 -23.123 1.00 0.00 H new ATOM 695 N GLY A 49 16.605 25.813 -24.178 1.00 0.00 N ATOM 696 CA GLY A 49 16.219 24.605 -24.882 1.00 0.00 C ATOM 697 C GLY A 49 15.039 23.910 -24.232 1.00 0.00 C ATOM 698 O GLY A 49 14.297 24.521 -23.462 1.00 0.00 O ATOM 0 H GLY A 49 16.371 26.682 -24.658 1.00 0.00 H new ATOM 0 HA2 GLY A 49 15.968 24.853 -25.913 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.067 23.921 -24.916 1.00 0.00 H new ATOM 702 N ASN A 50 14.864 22.630 -24.541 1.00 0.00 N ATOM 703 CA ASN A 50 13.765 21.853 -23.979 1.00 0.00 C ATOM 704 C ASN A 50 14.094 21.397 -22.562 1.00 0.00 C ATOM 705 O ASN A 50 13.215 20.956 -21.821 1.00 0.00 O ATOM 706 CB ASN A 50 13.467 20.640 -24.862 1.00 0.00 C ATOM 707 CG ASN A 50 11.981 20.433 -25.076 1.00 0.00 C ATOM 708 OD1 ASN A 50 11.387 19.500 -24.534 1.00 0.00 O ATOM 709 ND2 ASN A 50 11.369 21.305 -25.868 1.00 0.00 N ATOM 0 H ASN A 50 15.468 22.109 -25.177 1.00 0.00 H new ATOM 0 HA ASN A 50 12.882 22.491 -23.941 1.00 0.00 H new ATOM 0 HB2 ASN A 50 13.956 20.768 -25.828 1.00 0.00 H new ATOM 0 HB3 ASN A 50 13.893 19.747 -24.404 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.369 21.216 -26.047 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.899 22.064 -26.297 1.00 0.00 H new ATOM 716 N SER A 51 15.366 21.506 -22.192 1.00 0.00 N ATOM 717 CA SER A 51 15.812 21.105 -20.863 1.00 0.00 C ATOM 718 C SER A 51 16.214 22.319 -20.030 1.00 0.00 C ATOM 719 O SER A 51 16.443 22.209 -18.825 1.00 0.00 O ATOM 720 CB SER A 51 16.992 20.136 -20.971 1.00 0.00 C ATOM 721 OG SER A 51 16.569 18.796 -20.787 1.00 0.00 O ATOM 0 H SER A 51 16.106 21.869 -22.794 1.00 0.00 H new ATOM 0 HA SER A 51 14.981 20.606 -20.365 1.00 0.00 H new ATOM 0 HB2 SER A 51 17.465 20.241 -21.948 1.00 0.00 H new ATOM 0 HB3 SER A 51 17.744 20.389 -20.224 1.00 0.00 H new ATOM 0 HG SER A 51 16.467 18.614 -19.830 1.00 0.00 H new ATOM 727 N ASN A 52 16.297 23.476 -20.679 1.00 0.00 N ATOM 728 CA ASN A 52 16.669 24.712 -20.001 1.00 0.00 C ATOM 729 C ASN A 52 18.125 24.670 -19.543 1.00 0.00 C ATOM 730 O ASN A 52 18.591 25.571 -18.846 1.00 0.00 O ATOM 731 CB ASN A 52 15.752 24.954 -18.802 1.00 0.00 C ATOM 732 CG ASN A 52 16.173 26.162 -17.987 1.00 0.00 C ATOM 733 OD1 ASN A 52 15.978 27.303 -18.404 1.00 0.00 O ATOM 734 ND2 ASN A 52 16.756 25.915 -16.819 1.00 0.00 N ATOM 0 H ASN A 52 16.111 23.583 -21.676 1.00 0.00 H new ATOM 0 HA ASN A 52 16.556 25.532 -20.710 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.729 25.094 -19.152 1.00 0.00 H new ATOM 0 HB3 ASN A 52 15.752 24.070 -18.164 1.00 0.00 H new ATOM 0 HD21 ASN A 52 17.062 26.688 -16.228 1.00 0.00 H new ATOM 0 HD22 ASN A 52 16.897 24.952 -16.513 1.00 0.00 H new ATOM 741 N GLY A 53 18.839 23.622 -19.941 1.00 0.00 N ATOM 742 CA GLY A 53 20.233 23.489 -19.561 1.00 0.00 C ATOM 743 C GLY A 53 20.473 22.324 -18.620 1.00 0.00 C ATOM 744 O GLY A 53 21.044 22.496 -17.543 1.00 0.00 O ATOM 0 H GLY A 53 18.478 22.863 -20.519 1.00 0.00 H new ATOM 0 HA2 GLY A 53 20.839 23.358 -20.457 1.00 0.00 H new ATOM 0 HA3 GLY A 53 20.565 24.411 -19.084 1.00 0.00 H new ATOM 748 N GLU A 54 20.039 21.136 -19.027 1.00 0.00 N ATOM 749 CA GLU A 54 20.213 19.939 -18.212 1.00 0.00 C ATOM 750 C GLU A 54 21.386 19.105 -18.717 1.00 0.00 C ATOM 751 O GLU A 54 21.926 19.359 -19.792 1.00 0.00 O ATOM 752 CB GLU A 54 18.937 19.095 -18.222 1.00 0.00 C ATOM 753 CG GLU A 54 17.822 19.664 -17.360 1.00 0.00 C ATOM 754 CD GLU A 54 17.274 18.650 -16.376 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.033 17.745 -15.970 1.00 0.00 O ATOM 756 OE2 GLU A 54 16.084 18.759 -16.012 1.00 0.00 O ATOM 0 H GLU A 54 19.565 20.976 -19.916 1.00 0.00 H new ATOM 0 HA GLU A 54 20.423 20.256 -17.190 1.00 0.00 H new ATOM 0 HB2 GLU A 54 18.580 19.003 -19.248 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.174 18.089 -17.876 1.00 0.00 H new ATOM 0 HG2 GLU A 54 18.195 20.530 -16.814 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.014 20.016 -18.002 1.00 0.00 H new ATOM 763 N PRO A 55 21.789 18.090 -17.939 1.00 0.00 N ATOM 764 CA PRO A 55 22.900 17.205 -18.301 1.00 0.00 C ATOM 765 C PRO A 55 22.606 16.406 -19.566 1.00 0.00 C ATOM 766 O PRO A 55 21.557 15.771 -19.680 1.00 0.00 O ATOM 767 CB PRO A 55 23.031 16.263 -17.096 1.00 0.00 C ATOM 768 CG PRO A 55 22.278 16.925 -15.990 1.00 0.00 C ATOM 769 CD PRO A 55 21.192 17.726 -16.649 1.00 0.00 C ATOM 0 HA PRO A 55 23.810 17.766 -18.514 1.00 0.00 H new ATOM 0 HB2 PRO A 55 22.617 15.280 -17.319 1.00 0.00 H new ATOM 0 HB3 PRO A 55 24.076 16.115 -16.825 1.00 0.00 H new ATOM 0 HG2 PRO A 55 21.858 16.186 -15.307 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.934 17.567 -15.401 1.00 0.00 H new ATOM 0 HD2 PRO A 55 20.280 17.142 -16.776 1.00 0.00 H new ATOM 0 HD3 PRO A 55 20.928 18.607 -16.063 1.00 0.00 H new ATOM 777 N CYS A 56 23.538 16.438 -20.512 1.00 0.00 N ATOM 778 CA CYS A 56 23.374 15.713 -21.767 1.00 0.00 C ATOM 779 C CYS A 56 23.525 14.211 -21.547 1.00 0.00 C ATOM 780 O CYS A 56 23.796 13.763 -20.433 1.00 0.00 O ATOM 781 CB CYS A 56 24.392 16.202 -22.798 1.00 0.00 C ATOM 782 SG CYS A 56 24.554 18.015 -22.880 1.00 0.00 S ATOM 0 H CYS A 56 24.413 16.957 -20.434 1.00 0.00 H new ATOM 0 HA CYS A 56 22.370 15.905 -22.145 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.366 15.771 -22.564 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.106 15.829 -23.781 1.00 0.00 H new ATOM 787 N VAL A 57 23.341 13.434 -22.613 1.00 0.00 N ATOM 788 CA VAL A 57 23.451 11.982 -22.522 1.00 0.00 C ATOM 789 C VAL A 57 24.289 11.411 -23.664 1.00 0.00 C ATOM 790 O VAL A 57 23.810 10.599 -24.456 1.00 0.00 O ATOM 791 CB VAL A 57 22.059 11.323 -22.537 1.00 0.00 C ATOM 792 CG1 VAL A 57 21.448 11.401 -23.924 1.00 0.00 C ATOM 793 CG2 VAL A 57 22.145 9.881 -22.063 1.00 0.00 C ATOM 0 H VAL A 57 23.116 13.784 -23.544 1.00 0.00 H new ATOM 0 HA VAL A 57 23.947 11.759 -21.577 1.00 0.00 H new ATOM 0 HB VAL A 57 21.412 11.868 -21.850 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.465 10.930 -23.915 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.348 12.445 -24.219 1.00 0.00 H new ATOM 0 HG13 VAL A 57 22.092 10.883 -24.635 1.00 0.00 H new ATOM 0 HG21 VAL A 57 21.152 9.432 -22.081 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.808 9.320 -22.722 1.00 0.00 H new ATOM 0 HG23 VAL A 57 22.537 9.855 -21.046 1.00 0.00 H new ATOM 803 N LEU A 58 25.545 11.832 -23.742 1.00 0.00 N ATOM 804 CA LEU A 58 26.441 11.354 -24.788 1.00 0.00 C ATOM 805 C LEU A 58 27.489 10.403 -24.222 1.00 0.00 C ATOM 806 O LEU A 58 27.668 10.307 -23.008 1.00 0.00 O ATOM 807 CB LEU A 58 27.130 12.526 -25.493 1.00 0.00 C ATOM 808 CG LEU A 58 27.134 13.850 -24.724 1.00 0.00 C ATOM 809 CD1 LEU A 58 25.716 14.364 -24.539 1.00 0.00 C ATOM 810 CD2 LEU A 58 27.830 13.687 -23.381 1.00 0.00 C ATOM 0 H LEU A 58 25.965 12.501 -23.097 1.00 0.00 H new ATOM 0 HA LEU A 58 25.836 10.811 -25.515 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.162 12.245 -25.702 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.642 12.686 -26.454 1.00 0.00 H new ATOM 0 HG LEU A 58 27.689 14.585 -25.307 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.739 15.306 -23.990 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.257 14.523 -25.515 1.00 0.00 H new ATOM 0 HD13 LEU A 58 25.134 13.632 -23.979 1.00 0.00 H new ATOM 0 HD21 LEU A 58 27.823 14.639 -22.850 1.00 0.00 H new ATOM 0 HD22 LEU A 58 27.307 12.936 -22.789 1.00 0.00 H new ATOM 0 HD23 LEU A 58 28.860 13.369 -23.541 1.00 0.00 H new ATOM 822 N PRO A 59 28.194 9.685 -25.106 1.00 0.00 N ATOM 823 CA PRO A 59 27.990 9.790 -26.553 1.00 0.00 C ATOM 824 C PRO A 59 26.673 9.167 -27.006 1.00 0.00 C ATOM 825 O PRO A 59 26.403 7.998 -26.735 1.00 0.00 O ATOM 826 CB PRO A 59 29.173 9.017 -27.137 1.00 0.00 C ATOM 827 CG PRO A 59 29.550 8.042 -26.075 1.00 0.00 C ATOM 828 CD PRO A 59 29.248 8.714 -24.763 1.00 0.00 C ATOM 0 HA PRO A 59 27.938 10.829 -26.879 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.897 8.509 -28.061 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.002 9.683 -27.375 1.00 0.00 H new ATOM 0 HG2 PRO A 59 28.984 7.116 -26.178 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.606 7.780 -26.144 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.906 7.998 -24.015 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.129 9.207 -24.353 1.00 0.00 H new ATOM 836 N PHE A 60 25.860 9.958 -27.699 1.00 0.00 N ATOM 837 CA PHE A 60 24.572 9.485 -28.194 1.00 0.00 C ATOM 838 C PHE A 60 24.619 9.287 -29.707 1.00 0.00 C ATOM 839 O PHE A 60 25.657 9.494 -30.336 1.00 0.00 O ATOM 840 CB PHE A 60 23.469 10.481 -27.831 1.00 0.00 C ATOM 841 CG PHE A 60 23.810 11.902 -28.173 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.982 12.288 -29.493 1.00 0.00 C ATOM 843 CD2 PHE A 60 23.960 12.851 -27.176 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.296 13.594 -29.811 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.275 14.159 -27.487 1.00 0.00 C ATOM 846 CZ PHE A 60 24.443 14.532 -28.806 1.00 0.00 C ATOM 0 H PHE A 60 26.070 10.929 -27.930 1.00 0.00 H new ATOM 0 HA PHE A 60 24.353 8.526 -27.724 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.552 10.201 -28.350 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.265 10.412 -26.763 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.869 11.559 -30.282 1.00 0.00 H new ATOM 0 HD2 PHE A 60 23.829 12.565 -26.143 1.00 0.00 H new ATOM 0 HE1 PHE A 60 24.427 13.883 -30.843 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.390 14.889 -26.700 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.689 15.554 -29.052 1.00 0.00 H new ATOM 856 N THR A 61 23.491 8.889 -30.285 1.00 0.00 N ATOM 857 CA THR A 61 23.409 8.667 -31.724 1.00 0.00 C ATOM 858 C THR A 61 22.314 9.523 -32.350 1.00 0.00 C ATOM 859 O THR A 61 21.168 9.507 -31.903 1.00 0.00 O ATOM 860 CB THR A 61 23.133 7.187 -32.052 1.00 0.00 C ATOM 861 OG1 THR A 61 23.202 6.397 -30.859 1.00 0.00 O ATOM 862 CG2 THR A 61 24.134 6.661 -33.072 1.00 0.00 C ATOM 0 H THR A 61 22.622 8.714 -29.780 1.00 0.00 H new ATOM 0 HA THR A 61 24.375 8.950 -32.141 1.00 0.00 H new ATOM 0 HB THR A 61 22.132 7.115 -32.477 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.024 5.458 -31.077 1.00 0.00 H new ATOM 0 HG21 THR A 61 23.918 5.614 -33.287 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.058 7.243 -33.990 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.143 6.748 -32.670 1.00 0.00 H new ATOM 870 N TYR A 62 22.675 10.270 -33.388 1.00 0.00 N ATOM 871 CA TYR A 62 21.720 11.132 -34.074 1.00 0.00 C ATOM 872 C TYR A 62 21.892 11.044 -35.585 1.00 0.00 C ATOM 873 O TYR A 62 22.987 11.241 -36.108 1.00 0.00 O ATOM 874 CB TYR A 62 21.887 12.582 -33.616 1.00 0.00 C ATOM 875 CG TYR A 62 21.032 13.561 -34.389 1.00 0.00 C ATOM 876 CD1 TYR A 62 19.647 13.531 -34.290 1.00 0.00 C ATOM 877 CD2 TYR A 62 21.610 14.514 -35.217 1.00 0.00 C ATOM 878 CE1 TYR A 62 18.861 14.423 -34.995 1.00 0.00 C ATOM 879 CE2 TYR A 62 20.832 15.410 -35.925 1.00 0.00 C ATOM 880 CZ TYR A 62 19.458 15.362 -35.810 1.00 0.00 C ATOM 881 OH TYR A 62 18.680 16.253 -36.513 1.00 0.00 O ATOM 0 H TYR A 62 23.620 10.296 -33.772 1.00 0.00 H new ATOM 0 HA TYR A 62 20.717 10.790 -33.820 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.638 12.651 -32.557 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.934 12.868 -33.716 1.00 0.00 H new ATOM 0 HD1 TYR A 62 19.176 12.798 -33.651 1.00 0.00 H new ATOM 0 HD2 TYR A 62 22.685 14.556 -35.309 1.00 0.00 H new ATOM 0 HE1 TYR A 62 17.785 14.385 -34.908 1.00 0.00 H new ATOM 0 HE2 TYR A 62 21.297 16.145 -36.565 1.00 0.00 H new ATOM 0 HH TYR A 62 17.854 16.429 -36.016 1.00 0.00 H new ATOM 891 N ASN A 63 20.799 10.749 -36.281 1.00 0.00 N ATOM 892 CA ASN A 63 20.823 10.637 -37.734 1.00 0.00 C ATOM 893 C ASN A 63 21.627 9.420 -38.183 1.00 0.00 C ATOM 894 O ASN A 63 21.849 9.218 -39.377 1.00 0.00 O ATOM 895 CB ASN A 63 21.403 11.909 -38.353 1.00 0.00 C ATOM 896 CG ASN A 63 20.395 12.638 -39.216 1.00 0.00 C ATOM 897 OD1 ASN A 63 20.465 12.599 -40.444 1.00 0.00 O ATOM 898 ND2 ASN A 63 19.449 13.311 -38.574 1.00 0.00 N ATOM 0 H ASN A 63 19.884 10.583 -35.861 1.00 0.00 H new ATOM 0 HA ASN A 63 19.797 10.509 -38.078 1.00 0.00 H new ATOM 0 HB2 ASN A 63 21.746 12.573 -37.560 1.00 0.00 H new ATOM 0 HB3 ASN A 63 22.275 11.653 -38.954 1.00 0.00 H new ATOM 0 HD21 ASN A 63 18.741 13.824 -39.100 1.00 0.00 H new ATOM 0 HD22 ASN A 63 19.429 13.316 -37.554 1.00 0.00 H new ATOM 905 N GLY A 64 22.055 8.607 -37.222 1.00 0.00 N ATOM 906 CA GLY A 64 22.821 7.416 -37.548 1.00 0.00 C ATOM 907 C GLY A 64 24.254 7.479 -37.058 1.00 0.00 C ATOM 908 O GLY A 64 24.918 6.450 -36.935 1.00 0.00 O ATOM 0 H GLY A 64 21.886 8.750 -36.226 1.00 0.00 H new ATOM 0 HA2 GLY A 64 22.332 6.546 -37.111 1.00 0.00 H new ATOM 0 HA3 GLY A 64 22.819 7.274 -38.629 1.00 0.00 H new ATOM 912 N ARG A 65 24.733 8.685 -36.774 1.00 0.00 N ATOM 913 CA ARG A 65 26.096 8.867 -36.291 1.00 0.00 C ATOM 914 C ARG A 65 26.114 9.004 -34.776 1.00 0.00 C ATOM 915 O ARG A 65 25.099 8.791 -34.115 1.00 0.00 O ATOM 916 CB ARG A 65 26.736 10.094 -36.940 1.00 0.00 C ATOM 917 CG ARG A 65 25.927 11.368 -36.770 1.00 0.00 C ATOM 918 CD ARG A 65 25.157 11.708 -38.036 1.00 0.00 C ATOM 919 NE ARG A 65 25.503 13.029 -38.552 1.00 0.00 N ATOM 920 CZ ARG A 65 25.359 13.379 -39.826 1.00 0.00 C ATOM 921 NH1 ARG A 65 24.879 12.507 -40.702 1.00 0.00 N ATOM 922 NH2 ARG A 65 25.691 14.599 -40.224 1.00 0.00 N ATOM 0 H ARG A 65 24.199 9.549 -36.870 1.00 0.00 H new ATOM 0 HA ARG A 65 26.675 7.986 -36.566 1.00 0.00 H new ATOM 0 HB2 ARG A 65 27.727 10.244 -36.513 1.00 0.00 H new ATOM 0 HB3 ARG A 65 26.873 9.901 -38.004 1.00 0.00 H new ATOM 0 HG2 ARG A 65 25.231 11.251 -35.939 1.00 0.00 H new ATOM 0 HG3 ARG A 65 26.593 12.192 -36.515 1.00 0.00 H new ATOM 0 HD2 ARG A 65 25.363 10.956 -38.798 1.00 0.00 H new ATOM 0 HD3 ARG A 65 24.087 11.668 -37.831 1.00 0.00 H new ATOM 0 HE ARG A 65 25.875 13.720 -37.900 1.00 0.00 H new ATOM 0 HH11 ARG A 65 24.621 11.568 -40.398 1.00 0.00 H new ATOM 0 HH12 ARG A 65 24.768 12.775 -41.680 1.00 0.00 H new ATOM 0 HH21 ARG A 65 26.058 15.272 -39.552 1.00 0.00 H new ATOM 0 HH22 ARG A 65 25.579 14.864 -41.203 1.00 0.00 H new ATOM 936 N THR A 66 27.271 9.352 -34.227 1.00 0.00 N ATOM 937 CA THR A 66 27.406 9.500 -32.784 1.00 0.00 C ATOM 938 C THR A 66 28.235 10.726 -32.416 1.00 0.00 C ATOM 939 O THR A 66 29.148 11.119 -33.143 1.00 0.00 O ATOM 940 CB THR A 66 28.054 8.250 -32.160 1.00 0.00 C ATOM 941 OG1 THR A 66 27.158 7.135 -32.250 1.00 0.00 O ATOM 942 CG2 THR A 66 28.415 8.500 -30.704 1.00 0.00 C ATOM 0 H THR A 66 28.124 9.536 -34.755 1.00 0.00 H new ATOM 0 HA THR A 66 26.399 9.626 -32.387 1.00 0.00 H new ATOM 0 HB THR A 66 28.967 8.026 -32.712 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.579 6.344 -31.852 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.871 7.604 -30.283 1.00 0.00 H new ATOM 0 HG22 THR A 66 29.119 9.330 -30.641 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.514 8.746 -30.143 1.00 0.00 H new ATOM 950 N PHE A 67 27.909 11.322 -31.273 1.00 0.00 N ATOM 951 CA PHE A 67 28.615 12.500 -30.788 1.00 0.00 C ATOM 952 C PHE A 67 28.839 12.406 -29.281 1.00 0.00 C ATOM 953 O PHE A 67 27.910 12.124 -28.525 1.00 0.00 O ATOM 954 CB PHE A 67 27.823 13.765 -31.118 1.00 0.00 C ATOM 955 CG PHE A 67 27.098 13.694 -32.433 1.00 0.00 C ATOM 956 CD1 PHE A 67 26.057 12.798 -32.619 1.00 0.00 C ATOM 957 CD2 PHE A 67 27.458 14.525 -33.482 1.00 0.00 C ATOM 958 CE1 PHE A 67 25.389 12.733 -33.826 1.00 0.00 C ATOM 959 CE2 PHE A 67 26.793 14.464 -34.692 1.00 0.00 C ATOM 960 CZ PHE A 67 25.758 13.566 -34.864 1.00 0.00 C ATOM 0 H PHE A 67 27.155 11.005 -30.663 1.00 0.00 H new ATOM 0 HA PHE A 67 29.584 12.548 -31.284 1.00 0.00 H new ATOM 0 HB2 PHE A 67 27.100 13.949 -30.323 1.00 0.00 H new ATOM 0 HB3 PHE A 67 28.504 14.616 -31.133 1.00 0.00 H new ATOM 0 HD1 PHE A 67 25.765 12.143 -31.811 1.00 0.00 H new ATOM 0 HD2 PHE A 67 28.267 15.228 -33.352 1.00 0.00 H new ATOM 0 HE1 PHE A 67 24.579 12.031 -33.958 1.00 0.00 H new ATOM 0 HE2 PHE A 67 27.082 15.118 -35.502 1.00 0.00 H new ATOM 0 HZ PHE A 67 25.238 13.515 -35.809 1.00 0.00 H new ATOM 970 N TYR A 68 30.075 12.637 -28.848 1.00 0.00 N ATOM 971 CA TYR A 68 30.409 12.570 -27.432 1.00 0.00 C ATOM 972 C TYR A 68 30.314 13.948 -26.778 1.00 0.00 C ATOM 973 O TYR A 68 31.053 14.250 -25.842 1.00 0.00 O ATOM 974 CB TYR A 68 31.820 12.004 -27.240 1.00 0.00 C ATOM 975 CG TYR A 68 32.060 10.675 -27.927 1.00 0.00 C ATOM 976 CD1 TYR A 68 32.061 10.571 -29.314 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.304 9.527 -27.186 1.00 0.00 C ATOM 978 CE1 TYR A 68 32.291 9.359 -29.938 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.539 8.314 -27.802 1.00 0.00 C ATOM 980 CZ TYR A 68 32.530 8.234 -29.178 1.00 0.00 C ATOM 981 OH TYR A 68 32.763 7.026 -29.796 1.00 0.00 O ATOM 0 H TYR A 68 30.859 12.872 -29.457 1.00 0.00 H new ATOM 0 HA TYR A 68 29.688 11.908 -26.952 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.543 12.729 -27.615 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.009 11.887 -26.173 1.00 0.00 H new ATOM 0 HD1 TYR A 68 31.879 11.451 -29.913 1.00 0.00 H new ATOM 0 HD2 TYR A 68 32.310 9.584 -26.108 1.00 0.00 H new ATOM 0 HE1 TYR A 68 32.283 9.294 -31.016 1.00 0.00 H new ATOM 0 HE2 TYR A 68 32.729 7.432 -27.209 1.00 0.00 H new ATOM 0 HH TYR A 68 32.914 6.335 -29.118 1.00 0.00 H new ATOM 991 N SER A 69 29.401 14.779 -27.274 1.00 0.00 N ATOM 992 CA SER A 69 29.219 16.123 -26.730 1.00 0.00 C ATOM 993 C SER A 69 28.271 16.948 -27.597 1.00 0.00 C ATOM 994 O SER A 69 27.732 16.456 -28.587 1.00 0.00 O ATOM 995 CB SER A 69 30.567 16.835 -26.613 1.00 0.00 C ATOM 996 OG SER A 69 31.195 16.540 -25.377 1.00 0.00 O ATOM 0 H SER A 69 28.778 14.548 -28.048 1.00 0.00 H new ATOM 0 HA SER A 69 28.777 16.024 -25.739 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.215 16.531 -27.435 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.422 17.912 -26.703 1.00 0.00 H new ATOM 0 HG SER A 69 31.567 15.634 -25.407 1.00 0.00 H new ATOM 1002 N CYS A 70 28.075 18.208 -27.214 1.00 0.00 N ATOM 1003 CA CYS A 70 27.197 19.106 -27.953 1.00 0.00 C ATOM 1004 C CYS A 70 27.543 19.103 -29.437 1.00 0.00 C ATOM 1005 O CYS A 70 28.652 18.733 -29.822 1.00 0.00 O ATOM 1006 CB CYS A 70 27.306 20.527 -27.398 1.00 0.00 C ATOM 1007 SG CYS A 70 27.285 20.625 -25.578 1.00 0.00 S ATOM 0 H CYS A 70 28.514 18.628 -26.395 1.00 0.00 H new ATOM 0 HA CYS A 70 26.173 18.753 -27.835 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.229 20.978 -27.764 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.482 21.123 -27.792 1.00 0.00 H new ATOM 1012 N THR A 71 26.591 19.517 -30.267 1.00 0.00 N ATOM 1013 CA THR A 71 26.808 19.558 -31.709 1.00 0.00 C ATOM 1014 C THR A 71 25.758 20.412 -32.409 1.00 0.00 C ATOM 1015 O THR A 71 24.756 20.801 -31.810 1.00 0.00 O ATOM 1016 CB THR A 71 26.788 18.145 -32.319 1.00 0.00 C ATOM 1017 OG1 THR A 71 27.248 18.189 -33.676 1.00 0.00 O ATOM 1018 CG2 THR A 71 25.383 17.561 -32.272 1.00 0.00 C ATOM 0 H THR A 71 25.666 19.827 -29.968 1.00 0.00 H new ATOM 0 HA THR A 71 27.791 20.004 -31.862 1.00 0.00 H new ATOM 0 HB THR A 71 27.452 17.508 -31.734 1.00 0.00 H new ATOM 0 HG1 THR A 71 27.234 17.286 -34.056 1.00 0.00 H new ATOM 0 HG21 THR A 71 25.389 16.562 -32.708 1.00 0.00 H new ATOM 0 HG22 THR A 71 25.047 17.503 -31.237 1.00 0.00 H new ATOM 0 HG23 THR A 71 24.705 18.199 -32.838 1.00 0.00 H new ATOM 1026 N THR A 72 25.996 20.695 -33.686 1.00 0.00 N ATOM 1027 CA THR A 72 25.077 21.500 -34.480 1.00 0.00 C ATOM 1028 C THR A 72 24.783 20.829 -35.820 1.00 0.00 C ATOM 1029 O THR A 72 25.120 21.361 -36.877 1.00 0.00 O ATOM 1030 CB THR A 72 25.643 22.908 -34.741 1.00 0.00 C ATOM 1031 OG1 THR A 72 27.072 22.856 -34.827 1.00 0.00 O ATOM 1032 CG2 THR A 72 25.231 23.871 -33.637 1.00 0.00 C ATOM 0 H THR A 72 26.821 20.377 -34.194 1.00 0.00 H new ATOM 0 HA THR A 72 24.155 21.589 -33.906 1.00 0.00 H new ATOM 0 HB THR A 72 25.236 23.268 -35.686 1.00 0.00 H new ATOM 0 HG1 THR A 72 27.423 23.756 -34.995 1.00 0.00 H new ATOM 0 HG21 THR A 72 25.643 24.859 -33.844 1.00 0.00 H new ATOM 0 HG22 THR A 72 24.144 23.933 -33.595 1.00 0.00 H new ATOM 0 HG23 THR A 72 25.611 23.512 -32.681 1.00 0.00 H new ATOM 1040 N GLU A 73 24.161 19.654 -35.766 1.00 0.00 N ATOM 1041 CA GLU A 73 23.832 18.907 -36.975 1.00 0.00 C ATOM 1042 C GLU A 73 22.325 18.721 -37.117 1.00 0.00 C ATOM 1043 O GLU A 73 21.859 17.958 -37.964 1.00 0.00 O ATOM 1044 CB GLU A 73 24.520 17.541 -36.953 1.00 0.00 C ATOM 1045 CG GLU A 73 26.026 17.617 -37.133 1.00 0.00 C ATOM 1046 CD GLU A 73 26.427 17.924 -38.561 1.00 0.00 C ATOM 1047 OE1 GLU A 73 25.574 18.431 -39.321 1.00 0.00 O ATOM 1048 OE2 GLU A 73 27.594 17.660 -38.923 1.00 0.00 O ATOM 0 H GLU A 73 23.875 19.200 -34.899 1.00 0.00 H new ATOM 0 HA GLU A 73 24.189 19.481 -37.830 1.00 0.00 H new ATOM 0 HB2 GLU A 73 24.300 17.048 -36.006 1.00 0.00 H new ATOM 0 HB3 GLU A 73 24.099 16.918 -37.742 1.00 0.00 H new ATOM 0 HG2 GLU A 73 26.429 18.385 -36.473 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.473 16.670 -36.830 1.00 0.00 H new ATOM 1055 N GLY A 74 21.566 19.418 -36.279 1.00 0.00 N ATOM 1056 CA GLY A 74 20.120 19.309 -36.328 1.00 0.00 C ATOM 1057 C GLY A 74 19.433 20.650 -36.511 1.00 0.00 C ATOM 1058 O GLY A 74 18.215 20.754 -36.364 1.00 0.00 O ATOM 0 H GLY A 74 21.925 20.055 -35.568 1.00 0.00 H new ATOM 0 HA2 GLY A 74 19.838 18.647 -37.147 1.00 0.00 H new ATOM 0 HA3 GLY A 74 19.764 18.847 -35.407 1.00 0.00 H new ATOM 1122 N HIS A 79 23.588 26.479 -33.425 1.00 0.00 N ATOM 1123 CA HIS A 79 23.516 26.402 -31.970 1.00 0.00 C ATOM 1124 C HIS A 79 23.822 24.989 -31.484 1.00 0.00 C ATOM 1125 O HIS A 79 23.180 24.025 -31.903 1.00 0.00 O ATOM 1126 CB HIS A 79 22.135 26.829 -31.470 1.00 0.00 C ATOM 1127 CG HIS A 79 21.335 27.600 -32.474 1.00 0.00 C ATOM 1128 ND1 HIS A 79 20.122 27.163 -32.963 1.00 0.00 N ATOM 1129 CD2 HIS A 79 21.572 28.793 -33.071 1.00 0.00 C ATOM 1130 CE1 HIS A 79 19.648 28.052 -33.818 1.00 0.00 C ATOM 1131 NE2 HIS A 79 20.508 29.050 -33.901 1.00 0.00 N ATOM 0 HA HIS A 79 24.265 27.084 -31.567 1.00 0.00 H new ATOM 0 HB2 HIS A 79 21.575 25.940 -31.179 1.00 0.00 H new ATOM 0 HB3 HIS A 79 22.257 27.437 -30.573 1.00 0.00 H new ATOM 0 HD2 HIS A 79 22.436 29.424 -32.922 1.00 0.00 H new ATOM 0 HE1 HIS A 79 18.715 27.975 -34.357 1.00 0.00 H new ATOM 0 HE2 HIS A 79 20.400 29.878 -34.487 1.00 0.00 H new ATOM 1140 N LEU A 80 24.803 24.873 -30.595 1.00 0.00 N ATOM 1141 CA LEU A 80 25.190 23.579 -30.050 1.00 0.00 C ATOM 1142 C LEU A 80 24.070 22.999 -29.195 1.00 0.00 C ATOM 1143 O LEU A 80 23.413 23.720 -28.445 1.00 0.00 O ATOM 1144 CB LEU A 80 26.464 23.718 -29.214 1.00 0.00 C ATOM 1145 CG LEU A 80 27.758 23.843 -30.020 1.00 0.00 C ATOM 1146 CD1 LEU A 80 27.706 25.064 -30.924 1.00 0.00 C ATOM 1147 CD2 LEU A 80 28.959 23.917 -29.089 1.00 0.00 C ATOM 0 H LEU A 80 25.344 25.660 -30.237 1.00 0.00 H new ATOM 0 HA LEU A 80 25.381 22.900 -30.881 1.00 0.00 H new ATOM 0 HB2 LEU A 80 26.366 24.595 -28.574 1.00 0.00 H new ATOM 0 HB3 LEU A 80 26.545 22.852 -28.557 1.00 0.00 H new ATOM 0 HG LEU A 80 27.862 22.957 -30.646 1.00 0.00 H new ATOM 0 HD11 LEU A 80 28.635 25.137 -31.490 1.00 0.00 H new ATOM 0 HD12 LEU A 80 26.867 24.971 -31.614 1.00 0.00 H new ATOM 0 HD13 LEU A 80 27.579 25.961 -30.317 1.00 0.00 H new ATOM 0 HD21 LEU A 80 29.871 24.006 -29.679 1.00 0.00 H new ATOM 0 HD22 LEU A 80 28.862 24.786 -28.438 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.005 23.013 -28.482 1.00 0.00 H new ATOM 1159 N TRP A 81 23.853 21.694 -29.316 1.00 0.00 N ATOM 1160 CA TRP A 81 22.805 21.025 -28.555 1.00 0.00 C ATOM 1161 C TRP A 81 23.222 19.614 -28.159 1.00 0.00 C ATOM 1162 O TRP A 81 24.264 19.117 -28.585 1.00 0.00 O ATOM 1163 CB TRP A 81 21.514 20.970 -29.371 1.00 0.00 C ATOM 1164 CG TRP A 81 21.673 20.249 -30.673 1.00 0.00 C ATOM 1165 CD1 TRP A 81 21.996 20.800 -31.878 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.520 18.843 -30.901 1.00 0.00 C ATOM 1167 NE1 TRP A 81 22.053 19.825 -32.843 1.00 0.00 N ATOM 1168 CE2 TRP A 81 21.765 18.614 -32.269 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.201 17.756 -30.084 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 21.700 17.344 -32.834 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 21.138 16.495 -30.646 1.00 0.00 C ATOM 1172 CH2 TRP A 81 21.387 16.298 -32.010 1.00 0.00 C ATOM 0 H TRP A 81 24.387 21.080 -29.932 1.00 0.00 H new ATOM 0 HA TRP A 81 22.636 21.600 -27.645 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.740 20.478 -28.782 1.00 0.00 H new ATOM 0 HB3 TRP A 81 21.170 21.986 -29.565 1.00 0.00 H new ATOM 0 HD1 TRP A 81 22.180 21.850 -32.048 1.00 0.00 H new ATOM 0 HE1 TRP A 81 22.274 19.977 -33.827 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.007 17.898 -29.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 21.890 17.190 -33.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.893 15.648 -30.023 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.331 15.300 -32.419 1.00 0.00 H new ATOM 1183 N CYS A 82 22.392 18.975 -27.343 1.00 0.00 N ATOM 1184 CA CYS A 82 22.653 17.617 -26.881 1.00 0.00 C ATOM 1185 C CYS A 82 21.364 16.966 -26.387 1.00 0.00 C ATOM 1186 O CYS A 82 20.363 17.646 -26.167 1.00 0.00 O ATOM 1187 CB CYS A 82 23.696 17.628 -25.763 1.00 0.00 C ATOM 1188 SG CYS A 82 23.191 18.559 -24.282 1.00 0.00 S ATOM 0 H CYS A 82 21.526 19.379 -26.986 1.00 0.00 H new ATOM 0 HA CYS A 82 23.040 17.036 -27.718 1.00 0.00 H new ATOM 0 HB2 CYS A 82 23.915 16.600 -25.475 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.622 18.055 -26.149 1.00 0.00 H new ATOM 1193 N SER A 83 21.390 15.648 -26.216 1.00 0.00 N ATOM 1194 CA SER A 83 20.213 14.920 -25.753 1.00 0.00 C ATOM 1195 C SER A 83 20.310 14.615 -24.260 1.00 0.00 C ATOM 1196 O SER A 83 21.315 14.089 -23.786 1.00 0.00 O ATOM 1197 CB SER A 83 20.045 13.624 -26.548 1.00 0.00 C ATOM 1198 OG SER A 83 20.958 12.635 -26.115 1.00 0.00 O ATOM 0 H SER A 83 22.208 15.065 -26.390 1.00 0.00 H new ATOM 0 HA SER A 83 19.339 15.550 -25.915 1.00 0.00 H new ATOM 0 HB2 SER A 83 19.025 13.255 -26.436 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.197 13.823 -27.609 1.00 0.00 H new ATOM 0 HG SER A 83 21.843 12.818 -26.494 1.00 0.00 H new ATOM 1204 N THR A 84 19.258 14.964 -23.524 1.00 0.00 N ATOM 1205 CA THR A 84 19.225 14.742 -22.081 1.00 0.00 C ATOM 1206 C THR A 84 19.038 13.265 -21.730 1.00 0.00 C ATOM 1207 O THR A 84 19.168 12.879 -20.569 1.00 0.00 O ATOM 1208 CB THR A 84 18.105 15.563 -21.412 1.00 0.00 C ATOM 1209 OG1 THR A 84 16.854 14.875 -21.516 1.00 0.00 O ATOM 1210 CG2 THR A 84 17.989 16.941 -22.051 1.00 0.00 C ATOM 0 H THR A 84 18.418 15.401 -23.903 1.00 0.00 H new ATOM 0 HA THR A 84 20.192 15.071 -21.701 1.00 0.00 H new ATOM 0 HB THR A 84 18.359 15.687 -20.359 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.357 14.971 -20.677 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.192 17.503 -21.563 1.00 0.00 H new ATOM 0 HG22 THR A 84 18.932 17.475 -21.937 1.00 0.00 H new ATOM 0 HG23 THR A 84 17.759 16.832 -23.111 1.00 0.00 H new ATOM 1218 N THR A 85 18.737 12.442 -22.731 1.00 0.00 N ATOM 1219 CA THR A 85 18.543 11.013 -22.501 1.00 0.00 C ATOM 1220 C THR A 85 18.927 10.194 -23.731 1.00 0.00 C ATOM 1221 O THR A 85 19.116 10.737 -24.818 1.00 0.00 O ATOM 1222 CB THR A 85 17.084 10.694 -22.096 1.00 0.00 C ATOM 1223 OG1 THR A 85 17.062 9.580 -21.197 1.00 0.00 O ATOM 1224 CG2 THR A 85 16.214 10.382 -23.310 1.00 0.00 C ATOM 0 H THR A 85 18.623 12.736 -23.701 1.00 0.00 H new ATOM 0 HA THR A 85 19.200 10.736 -21.676 1.00 0.00 H new ATOM 0 HB THR A 85 16.677 11.579 -21.607 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.136 9.383 -20.942 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.198 10.164 -22.983 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.203 11.242 -23.980 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.620 9.518 -23.836 1.00 0.00 H new ATOM 1232 N SER A 86 19.042 8.882 -23.547 1.00 0.00 N ATOM 1233 CA SER A 86 19.403 7.986 -24.639 1.00 0.00 C ATOM 1234 C SER A 86 18.447 8.149 -25.816 1.00 0.00 C ATOM 1235 O SER A 86 18.834 8.631 -26.881 1.00 0.00 O ATOM 1236 CB SER A 86 19.393 6.533 -24.160 1.00 0.00 C ATOM 1237 OG SER A 86 18.954 5.660 -25.186 1.00 0.00 O ATOM 0 H SER A 86 18.890 8.417 -22.652 1.00 0.00 H new ATOM 0 HA SER A 86 20.408 8.246 -24.970 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.394 6.246 -23.838 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.740 6.437 -23.293 1.00 0.00 H new ATOM 0 HG SER A 86 18.958 4.738 -24.855 1.00 0.00 H new ATOM 1243 N ASN A 87 17.197 7.746 -25.616 1.00 0.00 N ATOM 1244 CA ASN A 87 16.186 7.847 -26.661 1.00 0.00 C ATOM 1245 C ASN A 87 15.859 9.303 -26.966 1.00 0.00 C ATOM 1246 O ASN A 87 14.912 9.866 -26.415 1.00 0.00 O ATOM 1247 CB ASN A 87 14.915 7.106 -26.242 1.00 0.00 C ATOM 1248 CG ASN A 87 14.515 6.033 -27.236 1.00 0.00 C ATOM 1249 OD1 ASN A 87 15.352 5.512 -27.974 1.00 0.00 O ATOM 1250 ND2 ASN A 87 13.232 5.698 -27.259 1.00 0.00 N ATOM 0 H ASN A 87 16.860 7.347 -24.740 1.00 0.00 H new ATOM 0 HA ASN A 87 16.588 7.388 -27.564 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.069 6.651 -25.263 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.099 7.821 -26.136 1.00 0.00 H new ATOM 0 HD21 ASN A 87 12.903 4.982 -27.907 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.574 6.156 -26.629 1.00 0.00 H new ATOM 1257 N TYR A 88 16.646 9.911 -27.848 1.00 0.00 N ATOM 1258 CA TYR A 88 16.436 11.301 -28.227 1.00 0.00 C ATOM 1259 C TYR A 88 15.383 11.404 -29.324 1.00 0.00 C ATOM 1260 O TYR A 88 14.597 12.351 -29.360 1.00 0.00 O ATOM 1261 CB TYR A 88 17.751 11.928 -28.698 1.00 0.00 C ATOM 1262 CG TYR A 88 17.564 13.146 -29.574 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.249 14.381 -29.021 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.702 13.061 -30.952 1.00 0.00 C ATOM 1265 CE1 TYR A 88 17.077 15.496 -29.818 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.533 14.171 -31.757 1.00 0.00 C ATOM 1267 CZ TYR A 88 17.221 15.386 -31.184 1.00 0.00 C ATOM 1268 OH TYR A 88 17.052 16.496 -31.981 1.00 0.00 O ATOM 0 H TYR A 88 17.435 9.462 -28.313 1.00 0.00 H new ATOM 0 HA TYR A 88 16.080 11.846 -27.352 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.344 12.206 -27.826 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.323 11.181 -29.247 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.137 14.471 -27.951 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.946 12.111 -31.403 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.831 16.449 -29.373 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.644 14.088 -32.828 1.00 0.00 H new ATOM 0 HH TYR A 88 17.189 16.249 -32.919 1.00 0.00 H new ATOM 1278 N GLU A 89 15.372 10.419 -30.216 1.00 0.00 N ATOM 1279 CA GLU A 89 14.413 10.394 -31.312 1.00 0.00 C ATOM 1280 C GLU A 89 13.013 10.064 -30.801 1.00 0.00 C ATOM 1281 O GLU A 89 12.043 10.084 -31.560 1.00 0.00 O ATOM 1282 CB GLU A 89 14.838 9.371 -32.367 1.00 0.00 C ATOM 1283 CG GLU A 89 16.330 9.380 -32.657 1.00 0.00 C ATOM 1284 CD GLU A 89 16.981 8.033 -32.410 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.611 7.060 -33.101 1.00 0.00 O ATOM 1286 OE2 GLU A 89 17.860 7.951 -31.527 1.00 0.00 O ATOM 0 H GLU A 89 16.016 9.628 -30.201 1.00 0.00 H new ATOM 0 HA GLU A 89 14.391 11.385 -31.766 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.547 8.375 -32.033 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.295 9.568 -33.292 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.493 9.673 -33.694 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.813 10.132 -32.033 1.00 0.00 H new ATOM 1293 N GLN A 90 12.914 9.760 -29.510 1.00 0.00 N ATOM 1294 CA GLN A 90 11.633 9.426 -28.897 1.00 0.00 C ATOM 1295 C GLN A 90 11.144 10.564 -28.009 1.00 0.00 C ATOM 1296 O GLN A 90 10.008 11.021 -28.134 1.00 0.00 O ATOM 1297 CB GLN A 90 11.756 8.135 -28.083 1.00 0.00 C ATOM 1298 CG GLN A 90 10.702 7.993 -26.996 1.00 0.00 C ATOM 1299 CD GLN A 90 9.315 7.756 -27.557 1.00 0.00 C ATOM 1300 OE1 GLN A 90 8.820 8.534 -28.373 1.00 0.00 O ATOM 1301 NE2 GLN A 90 8.678 6.675 -27.122 1.00 0.00 N ATOM 0 H GLN A 90 13.706 9.738 -28.868 1.00 0.00 H new ATOM 0 HA GLN A 90 10.903 9.274 -29.692 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.685 7.282 -28.758 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.744 8.098 -27.625 1.00 0.00 H new ATOM 0 HG2 GLN A 90 10.971 7.165 -26.340 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.693 8.895 -26.384 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.126 6.057 -26.445 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.741 6.463 -27.465 1.00 0.00 H new ATOM 1310 N ASP A 91 12.011 11.018 -27.112 1.00 0.00 N ATOM 1311 CA ASP A 91 11.674 12.105 -26.200 1.00 0.00 C ATOM 1312 C ASP A 91 11.810 13.456 -26.895 1.00 0.00 C ATOM 1313 O ASP A 91 10.997 14.357 -26.688 1.00 0.00 O ATOM 1314 CB ASP A 91 12.571 12.059 -24.963 1.00 0.00 C ATOM 1315 CG ASP A 91 12.070 11.080 -23.920 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.084 11.406 -23.224 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.660 9.986 -23.798 1.00 0.00 O ATOM 0 H ASP A 91 12.955 10.649 -26.996 1.00 0.00 H new ATOM 0 HA ASP A 91 10.637 11.979 -25.889 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.582 11.782 -25.261 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.630 13.055 -24.524 1.00 0.00 H new ATOM 1322 N GLN A 92 12.845 13.584 -27.722 1.00 0.00 N ATOM 1323 CA GLN A 92 13.096 14.819 -28.459 1.00 0.00 C ATOM 1324 C GLN A 92 13.618 15.922 -27.540 1.00 0.00 C ATOM 1325 O GLN A 92 13.884 17.037 -27.986 1.00 0.00 O ATOM 1326 CB GLN A 92 11.822 15.286 -29.168 1.00 0.00 C ATOM 1327 CG GLN A 92 11.819 15.003 -30.661 1.00 0.00 C ATOM 1328 CD GLN A 92 13.057 15.530 -31.358 1.00 0.00 C ATOM 1329 OE1 GLN A 92 13.824 16.305 -30.786 1.00 0.00 O ATOM 1330 NE2 GLN A 92 13.259 15.111 -32.602 1.00 0.00 N ATOM 0 H GLN A 92 13.525 12.845 -27.899 1.00 0.00 H new ATOM 0 HA GLN A 92 13.863 14.609 -29.204 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.962 14.796 -28.712 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.700 16.357 -29.009 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.746 13.928 -30.823 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.934 15.454 -31.110 1.00 0.00 H new ATOM 0 HE21 GLN A 92 12.597 14.468 -33.037 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.076 15.432 -33.122 1.00 0.00 H new ATOM 1339 N LYS A 93 13.767 15.605 -26.257 1.00 0.00 N ATOM 1340 CA LYS A 93 14.262 16.577 -25.287 1.00 0.00 C ATOM 1341 C LYS A 93 15.780 16.718 -25.390 1.00 0.00 C ATOM 1342 O LYS A 93 16.531 15.779 -25.120 1.00 0.00 O ATOM 1343 CB LYS A 93 13.842 16.181 -23.864 1.00 0.00 C ATOM 1344 CG LYS A 93 14.877 15.365 -23.105 1.00 0.00 C ATOM 1345 CD LYS A 93 14.994 13.956 -23.663 1.00 0.00 C ATOM 1346 CE LYS A 93 16.443 13.553 -23.864 1.00 0.00 C ATOM 1347 NZ LYS A 93 16.757 13.296 -25.297 1.00 0.00 N ATOM 0 H LYS A 93 13.553 14.687 -25.866 1.00 0.00 H new ATOM 0 HA LYS A 93 13.818 17.546 -25.514 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.625 17.087 -23.297 1.00 0.00 H new ATOM 0 HB3 LYS A 93 12.916 15.609 -23.918 1.00 0.00 H new ATOM 0 HG2 LYS A 93 15.846 15.861 -23.161 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.603 15.318 -22.051 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.511 13.254 -22.983 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.464 13.895 -24.613 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.094 14.341 -23.486 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.654 12.657 -23.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.460 12.533 -25.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.890 13.014 -25.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.140 14.161 -25.729 1.00 0.00 H new ATOM 1361 N TYR A 94 16.224 17.901 -25.800 1.00 0.00 N ATOM 1362 CA TYR A 94 17.647 18.173 -25.958 1.00 0.00 C ATOM 1363 C TYR A 94 18.075 19.374 -25.122 1.00 0.00 C ATOM 1364 O TYR A 94 17.249 20.028 -24.485 1.00 0.00 O ATOM 1365 CB TYR A 94 17.970 18.428 -27.432 1.00 0.00 C ATOM 1366 CG TYR A 94 17.388 19.719 -27.962 1.00 0.00 C ATOM 1367 CD1 TYR A 94 17.967 20.942 -27.649 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.260 19.715 -28.772 1.00 0.00 C ATOM 1369 CE1 TYR A 94 17.438 22.126 -28.129 1.00 0.00 C ATOM 1370 CE2 TYR A 94 15.726 20.895 -29.257 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.319 22.096 -28.933 1.00 0.00 C ATOM 1372 OH TYR A 94 15.789 23.272 -29.413 1.00 0.00 O ATOM 0 H TYR A 94 15.617 18.688 -26.029 1.00 0.00 H new ATOM 0 HA TYR A 94 18.198 17.300 -25.609 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.052 18.447 -27.561 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.592 17.597 -28.028 1.00 0.00 H new ATOM 0 HD1 TYR A 94 18.845 20.969 -27.020 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.792 18.776 -29.027 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.899 23.069 -27.875 1.00 0.00 H new ATOM 0 HE2 TYR A 94 14.849 20.875 -29.887 1.00 0.00 H new ATOM 0 HH TYR A 94 16.460 23.983 -29.349 1.00 0.00 H new ATOM 1382 N SER A 95 19.374 19.659 -25.133 1.00 0.00 N ATOM 1383 CA SER A 95 19.921 20.782 -24.382 1.00 0.00 C ATOM 1384 C SER A 95 20.980 21.514 -25.202 1.00 0.00 C ATOM 1385 O SER A 95 21.844 20.889 -25.816 1.00 0.00 O ATOM 1386 CB SER A 95 20.523 20.296 -23.062 1.00 0.00 C ATOM 1387 OG SER A 95 20.353 18.897 -22.908 1.00 0.00 O ATOM 0 H SER A 95 20.068 19.125 -25.656 1.00 0.00 H new ATOM 0 HA SER A 95 19.109 21.476 -24.166 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.584 20.542 -23.030 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.050 20.817 -22.229 1.00 0.00 H new ATOM 0 HG SER A 95 21.135 18.431 -23.270 1.00 0.00 H new ATOM 1393 N PHE A 96 20.906 22.841 -25.209 1.00 0.00 N ATOM 1394 CA PHE A 96 21.858 23.656 -25.957 1.00 0.00 C ATOM 1395 C PHE A 96 23.231 23.646 -25.295 1.00 0.00 C ATOM 1396 O PHE A 96 23.416 23.053 -24.232 1.00 0.00 O ATOM 1397 CB PHE A 96 21.354 25.096 -26.070 1.00 0.00 C ATOM 1398 CG PHE A 96 20.304 25.288 -27.127 1.00 0.00 C ATOM 1399 CD1 PHE A 96 20.486 24.782 -28.404 1.00 0.00 C ATOM 1400 CD2 PHE A 96 19.136 25.978 -26.843 1.00 0.00 C ATOM 1401 CE1 PHE A 96 19.521 24.959 -29.378 1.00 0.00 C ATOM 1402 CE2 PHE A 96 18.168 26.157 -27.813 1.00 0.00 C ATOM 1403 CZ PHE A 96 18.361 25.647 -29.083 1.00 0.00 C ATOM 0 H PHE A 96 20.197 23.375 -24.706 1.00 0.00 H new ATOM 0 HA PHE A 96 21.951 23.226 -26.954 1.00 0.00 H new ATOM 0 HB2 PHE A 96 20.948 25.406 -25.107 1.00 0.00 H new ATOM 0 HB3 PHE A 96 22.198 25.751 -26.286 1.00 0.00 H new ATOM 0 HD1 PHE A 96 21.392 24.243 -28.641 1.00 0.00 H new ATOM 0 HD2 PHE A 96 18.981 26.380 -25.853 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.675 24.559 -30.369 1.00 0.00 H new ATOM 0 HE2 PHE A 96 17.261 26.695 -27.579 1.00 0.00 H new ATOM 0 HZ PHE A 96 17.606 25.786 -29.843 1.00 0.00 H new ATOM 1413 N CYS A 97 24.190 24.315 -25.929 1.00 0.00 N ATOM 1414 CA CYS A 97 25.548 24.391 -25.403 1.00 0.00 C ATOM 1415 C CYS A 97 26.056 25.830 -25.426 1.00 0.00 C ATOM 1416 O CYS A 97 25.759 26.590 -26.347 1.00 0.00 O ATOM 1417 CB CYS A 97 26.487 23.490 -26.208 1.00 0.00 C ATOM 1418 SG CYS A 97 27.695 22.577 -25.193 1.00 0.00 S ATOM 0 H CYS A 97 24.051 24.812 -26.809 1.00 0.00 H new ATOM 0 HA CYS A 97 25.531 24.045 -24.370 1.00 0.00 H new ATOM 0 HB2 CYS A 97 25.890 22.775 -26.774 1.00 0.00 H new ATOM 0 HB3 CYS A 97 27.025 24.100 -26.933 1.00 0.00 H new ATOM 1423 N THR A 98 26.817 26.201 -24.402 1.00 0.00 N ATOM 1424 CA THR A 98 27.361 27.545 -24.296 1.00 0.00 C ATOM 1425 C THR A 98 28.536 27.751 -25.246 1.00 0.00 C ATOM 1426 O THR A 98 28.353 28.154 -26.394 1.00 0.00 O ATOM 1427 CB THR A 98 27.824 27.838 -22.860 1.00 0.00 C ATOM 1428 OG1 THR A 98 28.801 26.874 -22.452 1.00 0.00 O ATOM 1429 CG2 THR A 98 26.647 27.813 -21.896 1.00 0.00 C ATOM 0 H THR A 98 27.071 25.584 -23.631 1.00 0.00 H new ATOM 0 HA THR A 98 26.560 28.232 -24.570 1.00 0.00 H new ATOM 0 HB THR A 98 28.268 28.833 -22.842 1.00 0.00 H new ATOM 0 HG1 THR A 98 29.091 27.070 -21.537 1.00 0.00 H new ATOM 0 HG21 THR A 98 26.999 28.023 -20.886 1.00 0.00 H new ATOM 0 HG22 THR A 98 25.919 28.569 -22.191 1.00 0.00 H new ATOM 0 HG23 THR A 98 26.178 26.829 -21.919 1.00 0.00 H new