USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=32 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 84 THR OG1 : rot -79:sc= 0.377! USER MOD Set 1.2: A 93 LYS NZ :NH3+ -146:sc= 0.975 (180deg=-0.114) USER MOD Set 2.1: A 3 HIS : no HD1:sc= -2.59 K(o=-3.1,f=-3.7!) USER MOD Set 2.2: A 13 SER OG : rot -69:sc= -0.557 USER MOD Single : A 6 THR OG1 : rot -99:sc= 0.814 USER MOD Single : A 8 SER OG : rot 53:sc= 1.01 USER MOD Single : A 12 TYR OH : rot -105:sc= 1.53 USER MOD Single : A 16 MET CE :methyl 142:sc= -1.67 (180deg=-2.88!) USER MOD Single : A 17 GLN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.16) USER MOD Single : A 26 GLN : amide:sc= -0.337 X(o=-0.34,f=-0.025) USER MOD Single : A 27 MET CE :methyl 140:sc= -0.73 (180deg=-2.4!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.33 USER MOD Single : A 34 ASN : amide:sc= -3.08! C(o=-3.1!,f=-12!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0498 USER MOD Single : A 39 GLN :FLIP amide:sc=-0.000139 F(o=-0.52,f=-0.00014) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 172:sc= 0.0147 USER MOD Single : A 47 TYR OH : rot -134:sc= 0.0482 USER MOD Single : A 50 ASN :FLIP amide:sc= 0.446 F(o=-0.09,f=0.45) USER MOD Single : A 51 SER OG : rot -20:sc= -1.06! USER MOD Single : A 52 ASN : amide:sc= -1.35! C(o=-1.4!,f=-2.3!) 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 :FLIP amide:sc= 0.545 F(o=-0.95,f=0.54) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.841 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -0.305 K(o=-0.31,f=-0.81) USER MOD Single : A 83 SER OG : rot -171:sc= -4.4! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.618 K(o=-0.62,f=-1.9!) USER MOD Single : A 88 TYR OH : rot -51:sc= -0.55 USER MOD Single : A 90 GLN : amide:sc= -0.166 K(o=-0.17,f=-3.7!) USER MOD Single : A 92 GLN : amide:sc= -0.019 K(o=-0.019,f=-1.4!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 84:sc= 1.3 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 44.529 4.585 -41.982 1.00 0.00 N ATOM 32 CA HIS A 3 44.001 4.167 -40.690 1.00 0.00 C ATOM 33 C HIS A 3 44.673 4.942 -39.562 1.00 0.00 C ATOM 34 O HIS A 3 45.817 5.378 -39.694 1.00 0.00 O ATOM 35 CB HIS A 3 44.213 2.666 -40.495 1.00 0.00 C ATOM 36 CG HIS A 3 43.107 1.827 -41.056 1.00 0.00 C ATOM 37 ND1 HIS A 3 42.895 1.670 -42.409 1.00 0.00 N ATOM 38 CD2 HIS A 3 42.145 1.098 -40.440 1.00 0.00 C ATOM 39 CE1 HIS A 3 41.852 0.883 -42.601 1.00 0.00 C ATOM 40 NE2 HIS A 3 41.379 0.522 -41.423 1.00 0.00 N ATOM 0 HA HIS A 3 42.932 4.379 -40.668 1.00 0.00 H new ATOM 0 HB2 HIS A 3 45.152 2.376 -40.966 1.00 0.00 H new ATOM 0 HB3 HIS A 3 44.312 2.457 -39.430 1.00 0.00 H new ATOM 0 HD2 HIS A 3 42.007 0.990 -39.374 1.00 0.00 H new ATOM 0 HE1 HIS A 3 41.454 0.585 -43.560 1.00 0.00 H new ATOM 0 HE2 HIS A 3 40.575 -0.086 -41.268 1.00 0.00 H new ATOM 49 N CYS A 4 43.960 5.112 -38.453 1.00 0.00 N ATOM 50 CA CYS A 4 44.504 5.840 -37.308 1.00 0.00 C ATOM 51 C CYS A 4 44.900 4.887 -36.186 1.00 0.00 C ATOM 52 O CYS A 4 44.087 4.098 -35.710 1.00 0.00 O ATOM 53 CB CYS A 4 43.497 6.873 -36.792 1.00 0.00 C ATOM 54 SG CYS A 4 41.761 6.518 -37.223 1.00 0.00 S ATOM 0 H CYS A 4 43.012 4.760 -38.321 1.00 0.00 H new ATOM 0 HA CYS A 4 45.399 6.362 -37.645 1.00 0.00 H new ATOM 0 HB2 CYS A 4 43.583 6.935 -35.707 1.00 0.00 H new ATOM 0 HB3 CYS A 4 43.764 7.852 -37.190 1.00 0.00 H new ATOM 59 N VAL A 5 46.159 4.968 -35.767 1.00 0.00 N ATOM 60 CA VAL A 5 46.669 4.115 -34.701 1.00 0.00 C ATOM 61 C VAL A 5 47.313 4.946 -33.596 1.00 0.00 C ATOM 62 O VAL A 5 48.520 5.188 -33.612 1.00 0.00 O ATOM 63 CB VAL A 5 47.703 3.105 -35.233 1.00 0.00 C ATOM 64 CG1 VAL A 5 47.960 2.011 -34.209 1.00 0.00 C ATOM 65 CG2 VAL A 5 47.238 2.511 -36.554 1.00 0.00 C ATOM 0 H VAL A 5 46.846 5.617 -36.151 1.00 0.00 H new ATOM 0 HA VAL A 5 45.816 3.571 -34.297 1.00 0.00 H new ATOM 0 HB VAL A 5 48.641 3.632 -35.408 1.00 0.00 H new ATOM 0 HG11 VAL A 5 48.693 1.308 -34.604 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.342 2.455 -33.290 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.029 1.484 -33.998 1.00 0.00 H new ATOM 0 HG21 VAL A 5 47.981 1.800 -36.915 1.00 0.00 H new ATOM 0 HG22 VAL A 5 46.287 1.999 -36.408 1.00 0.00 H new ATOM 0 HG23 VAL A 5 47.113 3.308 -37.287 1.00 0.00 H new ATOM 75 N THR A 6 46.502 5.379 -32.637 1.00 0.00 N ATOM 76 CA THR A 6 46.996 6.183 -31.525 1.00 0.00 C ATOM 77 C THR A 6 48.373 5.710 -31.073 1.00 0.00 C ATOM 78 O THR A 6 49.183 6.499 -30.587 1.00 0.00 O ATOM 79 CB THR A 6 46.030 6.139 -30.326 1.00 0.00 C ATOM 80 OG1 THR A 6 46.734 6.455 -29.118 1.00 0.00 O ATOM 81 CG2 THR A 6 45.383 4.769 -30.198 1.00 0.00 C ATOM 0 H THR A 6 45.501 5.187 -32.607 1.00 0.00 H new ATOM 0 HA THR A 6 47.068 7.209 -31.885 1.00 0.00 H new ATOM 0 HB THR A 6 45.246 6.877 -30.494 1.00 0.00 H new ATOM 0 HG1 THR A 6 46.960 5.627 -28.645 1.00 0.00 H new ATOM 0 HG21 THR A 6 44.706 4.765 -29.344 1.00 0.00 H new ATOM 0 HG22 THR A 6 44.823 4.545 -31.106 1.00 0.00 H new ATOM 0 HG23 THR A 6 46.156 4.014 -30.052 1.00 0.00 H new ATOM 89 N ASP A 7 48.634 4.417 -31.237 1.00 0.00 N ATOM 90 CA ASP A 7 49.916 3.842 -30.845 1.00 0.00 C ATOM 91 C ASP A 7 50.126 2.480 -31.497 1.00 0.00 C ATOM 92 O ASP A 7 50.660 2.385 -32.602 1.00 0.00 O ATOM 93 CB ASP A 7 49.995 3.710 -29.323 1.00 0.00 C ATOM 94 CG ASP A 7 48.626 3.661 -28.675 1.00 0.00 C ATOM 95 OD1 ASP A 7 48.075 2.550 -28.532 1.00 0.00 O ATOM 96 OD2 ASP A 7 48.104 4.736 -28.310 1.00 0.00 O ATOM 0 H ASP A 7 47.976 3.749 -31.638 1.00 0.00 H new ATOM 0 HA ASP A 7 50.705 4.512 -31.187 1.00 0.00 H new ATOM 0 HB2 ASP A 7 50.547 2.806 -29.068 1.00 0.00 H new ATOM 0 HB3 ASP A 7 50.556 4.551 -28.917 1.00 0.00 H new ATOM 101 N SER A 8 49.705 1.426 -30.806 1.00 0.00 N ATOM 102 CA SER A 8 49.850 0.069 -31.319 1.00 0.00 C ATOM 103 C SER A 8 48.901 -0.889 -30.607 1.00 0.00 C ATOM 104 O SER A 8 49.336 -1.801 -29.904 1.00 0.00 O ATOM 105 CB SER A 8 51.294 -0.409 -31.152 1.00 0.00 C ATOM 106 OG SER A 8 51.610 -0.607 -29.784 1.00 0.00 O ATOM 0 H SER A 8 49.261 1.485 -29.890 1.00 0.00 H new ATOM 0 HA SER A 8 49.597 0.080 -32.379 1.00 0.00 H new ATOM 0 HB2 SER A 8 51.438 -1.340 -31.700 1.00 0.00 H new ATOM 0 HB3 SER A 8 51.975 0.324 -31.584 1.00 0.00 H new ATOM 0 HG SER A 8 50.938 -1.191 -29.374 1.00 0.00 H new ATOM 112 N GLY A 9 47.603 -0.677 -30.793 1.00 0.00 N ATOM 113 CA GLY A 9 46.616 -1.531 -30.161 1.00 0.00 C ATOM 114 C GLY A 9 45.245 -1.402 -30.795 1.00 0.00 C ATOM 115 O GLY A 9 44.534 -2.393 -30.961 1.00 0.00 O ATOM 0 H GLY A 9 47.217 0.071 -31.370 1.00 0.00 H new ATOM 0 HA2 GLY A 9 46.945 -2.568 -30.223 1.00 0.00 H new ATOM 0 HA3 GLY A 9 46.548 -1.281 -29.102 1.00 0.00 H new ATOM 119 N VAL A 10 44.876 -0.179 -31.152 1.00 0.00 N ATOM 120 CA VAL A 10 43.584 0.079 -31.772 1.00 0.00 C ATOM 121 C VAL A 10 43.751 0.729 -33.141 1.00 0.00 C ATOM 122 O VAL A 10 43.732 1.954 -33.264 1.00 0.00 O ATOM 123 CB VAL A 10 42.704 0.984 -30.890 1.00 0.00 C ATOM 124 CG1 VAL A 10 41.234 0.638 -31.071 1.00 0.00 C ATOM 125 CG2 VAL A 10 43.111 0.867 -29.429 1.00 0.00 C ATOM 0 H VAL A 10 45.455 0.651 -31.022 1.00 0.00 H new ATOM 0 HA VAL A 10 43.093 -0.887 -31.888 1.00 0.00 H new ATOM 0 HB VAL A 10 42.852 2.018 -31.201 1.00 0.00 H new ATOM 0 HG11 VAL A 10 40.627 1.287 -30.440 1.00 0.00 H new ATOM 0 HG12 VAL A 10 40.953 0.780 -32.115 1.00 0.00 H new ATOM 0 HG13 VAL A 10 41.067 -0.401 -30.788 1.00 0.00 H new ATOM 0 HG21 VAL A 10 42.478 1.514 -28.822 1.00 0.00 H new ATOM 0 HG22 VAL A 10 42.995 -0.166 -29.101 1.00 0.00 H new ATOM 0 HG23 VAL A 10 44.152 1.169 -29.316 1.00 0.00 H new ATOM 135 N VAL A 11 43.919 -0.100 -34.165 1.00 0.00 N ATOM 136 CA VAL A 11 44.093 0.392 -35.526 1.00 0.00 C ATOM 137 C VAL A 11 42.805 1.011 -36.059 1.00 0.00 C ATOM 138 O VAL A 11 42.073 0.382 -36.823 1.00 0.00 O ATOM 139 CB VAL A 11 44.538 -0.731 -36.479 1.00 0.00 C ATOM 140 CG1 VAL A 11 44.643 -0.211 -37.904 1.00 0.00 C ATOM 141 CG2 VAL A 11 45.861 -1.328 -36.023 1.00 0.00 C ATOM 0 H VAL A 11 43.938 -1.116 -34.078 1.00 0.00 H new ATOM 0 HA VAL A 11 44.871 1.155 -35.485 1.00 0.00 H new ATOM 0 HB VAL A 11 43.785 -1.519 -36.458 1.00 0.00 H new ATOM 0 HG11 VAL A 11 44.959 -1.019 -38.564 1.00 0.00 H new ATOM 0 HG12 VAL A 11 43.672 0.163 -38.227 1.00 0.00 H new ATOM 0 HG13 VAL A 11 45.374 0.597 -37.944 1.00 0.00 H new ATOM 0 HG21 VAL A 11 46.159 -2.120 -36.710 1.00 0.00 H new ATOM 0 HG22 VAL A 11 46.626 -0.551 -36.011 1.00 0.00 H new ATOM 0 HG23 VAL A 11 45.748 -1.741 -35.020 1.00 0.00 H new ATOM 151 N TYR A 12 42.537 2.246 -35.652 1.00 0.00 N ATOM 152 CA TYR A 12 41.341 2.953 -36.090 1.00 0.00 C ATOM 153 C TYR A 12 41.377 3.202 -37.592 1.00 0.00 C ATOM 154 O TYR A 12 42.285 2.746 -38.285 1.00 0.00 O ATOM 155 CB TYR A 12 41.208 4.286 -35.350 1.00 0.00 C ATOM 156 CG TYR A 12 40.856 4.131 -33.894 1.00 0.00 C ATOM 157 CD1 TYR A 12 39.589 3.715 -33.507 1.00 0.00 C ATOM 158 CD2 TYR A 12 41.794 4.393 -32.905 1.00 0.00 C ATOM 159 CE1 TYR A 12 39.266 3.562 -32.173 1.00 0.00 C ATOM 160 CE2 TYR A 12 41.478 4.245 -31.568 1.00 0.00 C ATOM 161 CZ TYR A 12 40.215 3.829 -31.208 1.00 0.00 C ATOM 162 OH TYR A 12 39.898 3.678 -29.877 1.00 0.00 O ATOM 0 H TYR A 12 43.133 2.779 -35.018 1.00 0.00 H new ATOM 0 HA TYR A 12 40.478 2.328 -35.860 1.00 0.00 H new ATOM 0 HB2 TYR A 12 42.147 4.834 -35.433 1.00 0.00 H new ATOM 0 HB3 TYR A 12 40.443 4.889 -35.839 1.00 0.00 H new ATOM 0 HD1 TYR A 12 38.844 3.508 -34.261 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.785 4.717 -33.185 1.00 0.00 H new ATOM 0 HE1 TYR A 12 38.277 3.235 -31.887 1.00 0.00 H new ATOM 0 HE2 TYR A 12 42.217 4.454 -30.809 1.00 0.00 H new ATOM 0 HH TYR A 12 39.765 4.560 -29.470 1.00 0.00 H new ATOM 172 N SER A 13 40.384 3.931 -38.084 1.00 0.00 N ATOM 173 CA SER A 13 40.298 4.245 -39.503 1.00 0.00 C ATOM 174 C SER A 13 40.117 5.744 -39.716 1.00 0.00 C ATOM 175 O SER A 13 39.568 6.441 -38.864 1.00 0.00 O ATOM 176 CB SER A 13 39.139 3.483 -40.143 1.00 0.00 C ATOM 177 OG SER A 13 39.499 2.140 -40.416 1.00 0.00 O ATOM 0 H SER A 13 39.626 4.316 -37.520 1.00 0.00 H new ATOM 0 HA SER A 13 41.231 3.939 -39.977 1.00 0.00 H new ATOM 0 HB2 SER A 13 38.276 3.503 -39.478 1.00 0.00 H new ATOM 0 HB3 SER A 13 38.841 3.978 -41.067 1.00 0.00 H new ATOM 0 HG SER A 13 40.156 2.119 -41.143 1.00 0.00 H new ATOM 183 N VAL A 14 40.585 6.232 -40.858 1.00 0.00 N ATOM 184 CA VAL A 14 40.483 7.648 -41.186 1.00 0.00 C ATOM 185 C VAL A 14 39.070 8.178 -40.959 1.00 0.00 C ATOM 186 O VAL A 14 38.262 8.236 -41.886 1.00 0.00 O ATOM 187 CB VAL A 14 40.886 7.913 -42.650 1.00 0.00 C ATOM 188 CG1 VAL A 14 40.225 6.906 -43.578 1.00 0.00 C ATOM 189 CG2 VAL A 14 40.530 9.337 -43.054 1.00 0.00 C ATOM 0 H VAL A 14 41.040 5.666 -41.574 1.00 0.00 H new ATOM 0 HA VAL A 14 41.170 8.171 -40.521 1.00 0.00 H new ATOM 0 HB VAL A 14 41.966 7.795 -42.736 1.00 0.00 H new ATOM 0 HG11 VAL A 14 40.522 7.110 -44.607 1.00 0.00 H new ATOM 0 HG12 VAL A 14 40.537 5.898 -43.303 1.00 0.00 H new ATOM 0 HG13 VAL A 14 39.142 6.987 -43.490 1.00 0.00 H new ATOM 0 HG21 VAL A 14 40.822 9.505 -44.091 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.455 9.486 -42.951 1.00 0.00 H new ATOM 0 HG23 VAL A 14 41.057 10.041 -42.410 1.00 0.00 H new ATOM 199 N GLY A 15 38.784 8.578 -39.724 1.00 0.00 N ATOM 200 CA GLY A 15 37.475 9.115 -39.404 1.00 0.00 C ATOM 201 C GLY A 15 36.570 8.119 -38.706 1.00 0.00 C ATOM 202 O GLY A 15 35.363 8.100 -38.944 1.00 0.00 O ATOM 0 H GLY A 15 39.435 8.540 -38.940 1.00 0.00 H new ATOM 0 HA2 GLY A 15 37.596 9.992 -38.769 1.00 0.00 H new ATOM 0 HA3 GLY A 15 36.994 9.451 -40.323 1.00 0.00 H new ATOM 206 N MET A 16 37.145 7.298 -37.836 1.00 0.00 N ATOM 207 CA MET A 16 36.366 6.312 -37.100 1.00 0.00 C ATOM 208 C MET A 16 35.985 6.852 -35.728 1.00 0.00 C ATOM 209 O MET A 16 35.038 6.377 -35.101 1.00 0.00 O ATOM 210 CB MET A 16 37.153 5.010 -36.953 1.00 0.00 C ATOM 211 CG MET A 16 36.359 3.774 -37.342 1.00 0.00 C ATOM 212 SD MET A 16 36.456 2.467 -36.103 1.00 0.00 S ATOM 213 CE MET A 16 38.064 1.772 -36.470 1.00 0.00 C ATOM 0 H MET A 16 38.143 7.295 -37.624 1.00 0.00 H new ATOM 0 HA MET A 16 35.454 6.107 -37.661 1.00 0.00 H new ATOM 0 HB2 MET A 16 38.050 5.065 -37.570 1.00 0.00 H new ATOM 0 HB3 MET A 16 37.483 4.909 -35.919 1.00 0.00 H new ATOM 0 HG2 MET A 16 35.315 4.050 -37.492 1.00 0.00 H new ATOM 0 HG3 MET A 16 36.729 3.394 -38.295 1.00 0.00 H new ATOM 0 HE1 MET A 16 38.563 1.498 -35.540 1.00 0.00 H new ATOM 0 HE2 MET A 16 37.944 0.885 -37.092 1.00 0.00 H new ATOM 0 HE3 MET A 16 38.666 2.509 -37.002 1.00 0.00 H new ATOM 223 N GLN A 17 36.729 7.856 -35.273 1.00 0.00 N ATOM 224 CA GLN A 17 36.475 8.475 -33.978 1.00 0.00 C ATOM 225 C GLN A 17 36.507 7.438 -32.862 1.00 0.00 C ATOM 226 O GLN A 17 36.183 6.270 -33.076 1.00 0.00 O ATOM 227 CB GLN A 17 35.122 9.189 -33.988 1.00 0.00 C ATOM 228 CG GLN A 17 35.235 10.704 -33.961 1.00 0.00 C ATOM 229 CD GLN A 17 34.008 11.370 -33.371 1.00 0.00 C ATOM 230 OE1 GLN A 17 33.116 11.810 -34.096 1.00 0.00 O ATOM 231 NE2 GLN A 17 33.958 11.448 -32.046 1.00 0.00 N ATOM 0 H GLN A 17 37.515 8.258 -35.784 1.00 0.00 H new ATOM 0 HA GLN A 17 37.263 9.205 -33.792 1.00 0.00 H new ATOM 0 HB2 GLN A 17 34.569 8.890 -34.878 1.00 0.00 H new ATOM 0 HB3 GLN A 17 34.541 8.861 -33.126 1.00 0.00 H new ATOM 0 HG2 GLN A 17 36.113 10.989 -33.381 1.00 0.00 H new ATOM 0 HG3 GLN A 17 35.391 11.071 -34.975 1.00 0.00 H new ATOM 0 HE21 GLN A 17 34.720 11.070 -31.484 1.00 0.00 H new ATOM 0 HE22 GLN A 17 33.157 11.886 -31.591 1.00 0.00 H new ATOM 240 N TRP A 18 36.896 7.873 -31.669 1.00 0.00 N ATOM 241 CA TRP A 18 36.963 6.980 -30.521 1.00 0.00 C ATOM 242 C TRP A 18 37.227 7.758 -29.237 1.00 0.00 C ATOM 243 O TRP A 18 37.415 8.974 -29.258 1.00 0.00 O ATOM 244 CB TRP A 18 38.045 5.919 -30.725 1.00 0.00 C ATOM 245 CG TRP A 18 39.437 6.421 -30.491 1.00 0.00 C ATOM 246 CD1 TRP A 18 40.067 6.572 -29.287 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.378 6.833 -31.491 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.338 7.047 -29.478 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.554 7.220 -30.821 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.341 6.914 -32.887 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.680 7.678 -31.499 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.460 7.368 -33.557 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.615 7.744 -32.864 1.00 0.00 C ATOM 0 H TRP A 18 37.169 8.836 -31.473 1.00 0.00 H new ATOM 0 HA TRP A 18 35.997 6.483 -30.429 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.852 5.083 -30.052 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.974 5.533 -31.742 1.00 0.00 H new ATOM 0 HD1 TRP A 18 39.627 6.349 -28.326 1.00 0.00 H new ATOM 0 HE1 TRP A 18 42.015 7.241 -28.740 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.453 6.627 -33.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.573 7.971 -30.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 41.443 7.434 -34.635 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.474 8.094 -33.418 1.00 0.00 H new ATOM 264 N LEU A 19 37.238 7.042 -28.122 1.00 0.00 N ATOM 265 CA LEU A 19 37.476 7.652 -26.824 1.00 0.00 C ATOM 266 C LEU A 19 38.514 6.858 -26.048 1.00 0.00 C ATOM 267 O LEU A 19 38.574 5.633 -26.147 1.00 0.00 O ATOM 268 CB LEU A 19 36.172 7.732 -26.029 1.00 0.00 C ATOM 269 CG LEU A 19 36.297 8.354 -24.638 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.858 9.810 -24.666 1.00 0.00 C ATOM 271 CD2 LEU A 19 35.475 7.569 -23.628 1.00 0.00 C ATOM 0 H LEU A 19 37.084 6.034 -28.092 1.00 0.00 H new ATOM 0 HA LEU A 19 37.855 8.662 -26.980 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.449 8.310 -26.605 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.766 6.726 -25.925 1.00 0.00 H new ATOM 0 HG LEU A 19 37.343 8.315 -24.335 1.00 0.00 H new ATOM 0 HD11 LEU A 19 35.953 10.238 -23.668 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.487 10.366 -25.361 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.819 9.871 -24.989 1.00 0.00 H new ATOM 0 HD21 LEU A 19 35.576 8.026 -22.643 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.427 7.578 -23.927 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.833 6.540 -23.589 1.00 0.00 H new ATOM 283 N LYS A 20 39.337 7.560 -25.286 1.00 0.00 N ATOM 284 CA LYS A 20 40.381 6.912 -24.507 1.00 0.00 C ATOM 285 C LYS A 20 40.460 7.496 -23.097 1.00 0.00 C ATOM 286 O LYS A 20 40.177 8.675 -22.882 1.00 0.00 O ATOM 287 CB LYS A 20 41.722 7.039 -25.245 1.00 0.00 C ATOM 288 CG LYS A 20 42.875 7.535 -24.390 1.00 0.00 C ATOM 289 CD LYS A 20 42.911 9.052 -24.342 1.00 0.00 C ATOM 290 CE LYS A 20 43.546 9.555 -23.055 1.00 0.00 C ATOM 291 NZ LYS A 20 44.844 8.880 -22.776 1.00 0.00 N ATOM 0 H LYS A 20 39.303 8.575 -25.190 1.00 0.00 H new ATOM 0 HA LYS A 20 40.140 5.854 -24.399 1.00 0.00 H new ATOM 0 HB2 LYS A 20 41.987 6.066 -25.658 1.00 0.00 H new ATOM 0 HB3 LYS A 20 41.594 7.719 -26.087 1.00 0.00 H new ATOM 0 HG2 LYS A 20 42.778 7.139 -23.379 1.00 0.00 H new ATOM 0 HG3 LYS A 20 43.816 7.159 -24.791 1.00 0.00 H new ATOM 0 HD2 LYS A 20 43.471 9.431 -25.197 1.00 0.00 H new ATOM 0 HD3 LYS A 20 41.897 9.444 -24.426 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.704 10.631 -23.124 1.00 0.00 H new ATOM 0 HE3 LYS A 20 42.863 9.386 -22.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 45.356 9.403 -22.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.667 7.908 -22.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 45.417 8.857 -23.644 1.00 0.00 H new ATOM 379 N GLN A 26 39.221 11.308 -18.510 1.00 0.00 N ATOM 380 CA GLN A 26 38.567 10.995 -19.775 1.00 0.00 C ATOM 381 C GLN A 26 39.128 11.856 -20.902 1.00 0.00 C ATOM 382 O GLN A 26 39.442 13.028 -20.699 1.00 0.00 O ATOM 383 CB GLN A 26 37.056 11.204 -19.658 1.00 0.00 C ATOM 384 CG GLN A 26 36.268 9.907 -19.575 1.00 0.00 C ATOM 385 CD GLN A 26 34.777 10.117 -19.763 1.00 0.00 C ATOM 386 OE1 GLN A 26 34.198 11.057 -19.220 1.00 0.00 O ATOM 387 NE2 GLN A 26 34.150 9.237 -20.534 1.00 0.00 N ATOM 0 HA GLN A 26 38.763 9.949 -20.009 1.00 0.00 H new ATOM 0 HB2 GLN A 26 36.848 11.803 -18.772 1.00 0.00 H new ATOM 0 HB3 GLN A 26 36.709 11.776 -20.518 1.00 0.00 H new ATOM 0 HG2 GLN A 26 36.632 9.216 -20.335 1.00 0.00 H new ATOM 0 HG3 GLN A 26 36.446 9.439 -18.607 1.00 0.00 H new ATOM 0 HE21 GLN A 26 34.671 8.473 -20.964 1.00 0.00 H new ATOM 0 HE22 GLN A 26 33.147 9.325 -20.697 1.00 0.00 H new ATOM 396 N MET A 27 39.256 11.271 -22.089 1.00 0.00 N ATOM 397 CA MET A 27 39.783 11.995 -23.238 1.00 0.00 C ATOM 398 C MET A 27 39.317 11.354 -24.541 1.00 0.00 C ATOM 399 O MET A 27 39.656 10.208 -24.836 1.00 0.00 O ATOM 400 CB MET A 27 41.311 12.022 -23.188 1.00 0.00 C ATOM 401 CG MET A 27 41.894 13.424 -23.235 1.00 0.00 C ATOM 402 SD MET A 27 43.561 13.461 -23.922 1.00 0.00 S ATOM 403 CE MET A 27 44.530 13.006 -22.485 1.00 0.00 C ATOM 0 H MET A 27 39.003 10.301 -22.279 1.00 0.00 H new ATOM 0 HA MET A 27 39.406 13.017 -23.201 1.00 0.00 H new ATOM 0 HB2 MET A 27 41.646 11.528 -22.276 1.00 0.00 H new ATOM 0 HB3 MET A 27 41.704 11.445 -24.025 1.00 0.00 H new ATOM 0 HG2 MET A 27 41.245 14.063 -23.833 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.911 13.840 -22.228 1.00 0.00 H new ATOM 0 HE1 MET A 27 45.332 12.331 -22.786 1.00 0.00 H new ATOM 0 HE2 MET A 27 44.959 13.902 -22.037 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.890 12.507 -21.757 1.00 0.00 H new ATOM 413 N LEU A 28 38.543 12.101 -25.322 1.00 0.00 N ATOM 414 CA LEU A 28 38.042 11.598 -26.596 1.00 0.00 C ATOM 415 C LEU A 28 39.047 11.870 -27.709 1.00 0.00 C ATOM 416 O LEU A 28 39.395 13.020 -27.974 1.00 0.00 O ATOM 417 CB LEU A 28 36.699 12.241 -26.940 1.00 0.00 C ATOM 418 CG LEU A 28 36.068 11.743 -28.241 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.886 10.834 -27.949 1.00 0.00 C ATOM 420 CD2 LEU A 28 35.634 12.914 -29.106 1.00 0.00 C ATOM 0 H LEU A 28 38.250 13.052 -25.097 1.00 0.00 H new ATOM 0 HA LEU A 28 37.900 10.521 -26.503 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.003 12.058 -26.121 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.835 13.320 -27.008 1.00 0.00 H new ATOM 0 HG LEU A 28 36.818 11.169 -28.786 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.451 10.490 -28.887 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.222 9.975 -27.369 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.136 11.384 -27.381 1.00 0.00 H new ATOM 0 HD21 LEU A 28 35.187 12.540 -30.027 1.00 0.00 H new ATOM 0 HD22 LEU A 28 34.902 13.514 -28.565 1.00 0.00 H new ATOM 0 HD23 LEU A 28 36.501 13.529 -29.347 1.00 0.00 H new ATOM 432 N CYS A 29 39.515 10.805 -28.350 1.00 0.00 N ATOM 433 CA CYS A 29 40.492 10.929 -29.426 1.00 0.00 C ATOM 434 C CYS A 29 39.839 10.729 -30.792 1.00 0.00 C ATOM 435 O CYS A 29 38.876 9.975 -30.928 1.00 0.00 O ATOM 436 CB CYS A 29 41.614 9.909 -29.229 1.00 0.00 C ATOM 437 SG CYS A 29 43.036 10.530 -28.270 1.00 0.00 S ATOM 0 H CYS A 29 39.234 9.846 -28.144 1.00 0.00 H new ATOM 0 HA CYS A 29 40.907 11.936 -29.394 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.207 9.032 -28.726 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.966 9.581 -30.207 1.00 0.00 H new ATOM 442 N THR A 30 40.375 11.410 -31.800 1.00 0.00 N ATOM 443 CA THR A 30 39.853 11.311 -33.160 1.00 0.00 C ATOM 444 C THR A 30 40.970 11.427 -34.187 1.00 0.00 C ATOM 445 O THR A 30 42.001 12.049 -33.929 1.00 0.00 O ATOM 446 CB THR A 30 38.809 12.407 -33.453 1.00 0.00 C ATOM 447 OG1 THR A 30 37.684 12.266 -32.577 1.00 0.00 O ATOM 448 CG2 THR A 30 38.347 12.336 -34.903 1.00 0.00 C ATOM 0 H THR A 30 41.173 12.038 -31.701 1.00 0.00 H new ATOM 0 HA THR A 30 39.379 10.333 -33.236 1.00 0.00 H new ATOM 0 HB THR A 30 39.275 13.377 -33.283 1.00 0.00 H new ATOM 0 HG1 THR A 30 37.028 12.968 -32.771 1.00 0.00 H new ATOM 0 HG21 THR A 30 37.611 13.118 -35.089 1.00 0.00 H new ATOM 0 HG22 THR A 30 39.202 12.478 -35.565 1.00 0.00 H new ATOM 0 HG23 THR A 30 37.898 11.362 -35.094 1.00 0.00 H new ATOM 456 N CYS A 31 40.757 10.840 -35.360 1.00 0.00 N ATOM 457 CA CYS A 31 41.744 10.898 -36.426 1.00 0.00 C ATOM 458 C CYS A 31 41.198 11.680 -37.613 1.00 0.00 C ATOM 459 O CYS A 31 40.306 11.213 -38.322 1.00 0.00 O ATOM 460 CB CYS A 31 42.160 9.493 -36.861 1.00 0.00 C ATOM 461 SG CYS A 31 40.803 8.284 -36.917 1.00 0.00 S ATOM 0 H CYS A 31 39.911 10.320 -35.594 1.00 0.00 H new ATOM 0 HA CYS A 31 42.626 11.412 -36.044 1.00 0.00 H new ATOM 0 HB2 CYS A 31 42.616 9.553 -37.849 1.00 0.00 H new ATOM 0 HB3 CYS A 31 42.927 9.128 -36.178 1.00 0.00 H new ATOM 466 N LEU A 32 41.735 12.876 -37.815 1.00 0.00 N ATOM 467 CA LEU A 32 41.299 13.738 -38.908 1.00 0.00 C ATOM 468 C LEU A 32 41.931 13.305 -40.228 1.00 0.00 C ATOM 469 O LEU A 32 41.375 12.476 -40.948 1.00 0.00 O ATOM 470 CB LEU A 32 41.647 15.201 -38.613 1.00 0.00 C ATOM 471 CG LEU A 32 42.800 15.416 -37.630 1.00 0.00 C ATOM 472 CD1 LEU A 32 43.528 16.715 -37.934 1.00 0.00 C ATOM 473 CD2 LEU A 32 42.285 15.412 -36.198 1.00 0.00 C ATOM 0 H LEU A 32 42.475 13.273 -37.236 1.00 0.00 H new ATOM 0 HA LEU A 32 40.217 13.646 -38.997 1.00 0.00 H new ATOM 0 HB2 LEU A 32 41.896 15.694 -39.553 1.00 0.00 H new ATOM 0 HB3 LEU A 32 40.759 15.696 -38.219 1.00 0.00 H new ATOM 0 HG LEU A 32 43.507 14.595 -37.744 1.00 0.00 H new ATOM 0 HD11 LEU A 32 44.344 16.849 -37.224 1.00 0.00 H new ATOM 0 HD12 LEU A 32 43.930 16.678 -38.946 1.00 0.00 H new ATOM 0 HD13 LEU A 32 42.833 17.550 -37.850 1.00 0.00 H new ATOM 0 HD21 LEU A 32 43.118 15.566 -35.512 1.00 0.00 H new ATOM 0 HD22 LEU A 32 41.557 16.213 -36.071 1.00 0.00 H new ATOM 0 HD23 LEU A 32 41.811 14.454 -35.984 1.00 0.00 H new ATOM 485 N GLY A 33 43.092 13.870 -40.540 1.00 0.00 N ATOM 486 CA GLY A 33 43.772 13.523 -41.776 1.00 0.00 C ATOM 487 C GLY A 33 45.279 13.552 -41.641 1.00 0.00 C ATOM 488 O GLY A 33 45.970 12.650 -42.115 1.00 0.00 O ATOM 0 H GLY A 33 43.574 14.559 -39.963 1.00 0.00 H new ATOM 0 HA2 GLY A 33 43.459 12.528 -42.091 1.00 0.00 H new ATOM 0 HA3 GLY A 33 43.468 14.216 -42.560 1.00 0.00 H new ATOM 492 N ASN A 34 45.792 14.593 -40.997 1.00 0.00 N ATOM 493 CA ASN A 34 47.228 14.741 -40.802 1.00 0.00 C ATOM 494 C ASN A 34 47.673 14.099 -39.493 1.00 0.00 C ATOM 495 O ASN A 34 48.853 13.805 -39.302 1.00 0.00 O ATOM 496 CB ASN A 34 47.615 16.221 -40.813 1.00 0.00 C ATOM 497 CG ASN A 34 46.866 17.020 -39.765 1.00 0.00 C ATOM 498 OD1 ASN A 34 45.637 16.983 -39.699 1.00 0.00 O ATOM 499 ND2 ASN A 34 47.604 17.750 -38.937 1.00 0.00 N ATOM 0 H ASN A 34 45.233 15.348 -40.600 1.00 0.00 H new ATOM 0 HA ASN A 34 47.733 14.232 -41.623 1.00 0.00 H new ATOM 0 HB2 ASN A 34 48.687 16.315 -40.641 1.00 0.00 H new ATOM 0 HB3 ASN A 34 47.413 16.640 -41.799 1.00 0.00 H new ATOM 0 HD21 ASN A 34 47.155 18.309 -38.211 1.00 0.00 H new ATOM 0 HD22 ASN A 34 48.620 17.752 -39.027 1.00 0.00 H new ATOM 506 N GLY A 35 46.721 13.883 -38.590 1.00 0.00 N ATOM 507 CA GLY A 35 47.040 13.278 -37.310 1.00 0.00 C ATOM 508 C GLY A 35 45.803 12.922 -36.510 1.00 0.00 C ATOM 509 O GLY A 35 44.695 12.894 -37.045 1.00 0.00 O ATOM 0 H GLY A 35 45.737 14.116 -38.722 1.00 0.00 H new ATOM 0 HA2 GLY A 35 47.633 12.378 -37.475 1.00 0.00 H new ATOM 0 HA3 GLY A 35 47.657 13.965 -36.731 1.00 0.00 H new ATOM 513 N VAL A 36 45.993 12.651 -35.223 1.00 0.00 N ATOM 514 CA VAL A 36 44.886 12.295 -34.343 1.00 0.00 C ATOM 515 C VAL A 36 44.734 13.317 -33.219 1.00 0.00 C ATOM 516 O VAL A 36 45.637 13.496 -32.400 1.00 0.00 O ATOM 517 CB VAL A 36 45.077 10.877 -33.747 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.349 10.726 -32.416 1.00 0.00 C ATOM 519 CG2 VAL A 36 44.602 9.823 -34.731 1.00 0.00 C ATOM 0 H VAL A 36 46.905 12.671 -34.766 1.00 0.00 H new ATOM 0 HA VAL A 36 43.977 12.297 -34.944 1.00 0.00 H new ATOM 0 HB VAL A 36 46.142 10.735 -33.561 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.505 9.719 -32.028 1.00 0.00 H new ATOM 0 HG12 VAL A 36 44.738 11.454 -31.704 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.283 10.897 -32.563 1.00 0.00 H new ATOM 0 HG21 VAL A 36 44.742 8.832 -34.299 1.00 0.00 H new ATOM 0 HG22 VAL A 36 43.545 9.978 -34.948 1.00 0.00 H new ATOM 0 HG23 VAL A 36 45.177 9.901 -35.654 1.00 0.00 H new ATOM 529 N SER A 37 43.582 13.976 -33.182 1.00 0.00 N ATOM 530 CA SER A 37 43.301 14.973 -32.156 1.00 0.00 C ATOM 531 C SER A 37 42.328 14.415 -31.125 1.00 0.00 C ATOM 532 O SER A 37 41.565 13.495 -31.416 1.00 0.00 O ATOM 533 CB SER A 37 42.725 16.241 -32.788 1.00 0.00 C ATOM 534 OG SER A 37 41.994 16.997 -31.838 1.00 0.00 O ATOM 0 H SER A 37 42.826 13.837 -33.852 1.00 0.00 H new ATOM 0 HA SER A 37 44.236 15.224 -31.656 1.00 0.00 H new ATOM 0 HB2 SER A 37 43.534 16.848 -33.196 1.00 0.00 H new ATOM 0 HB3 SER A 37 42.076 15.973 -33.622 1.00 0.00 H new ATOM 0 HG SER A 37 41.637 17.803 -32.266 1.00 0.00 H new ATOM 540 N CYS A 38 42.359 14.969 -29.920 1.00 0.00 N ATOM 541 CA CYS A 38 41.478 14.509 -28.855 1.00 0.00 C ATOM 542 C CYS A 38 41.055 15.662 -27.949 1.00 0.00 C ATOM 543 O CYS A 38 41.603 16.761 -28.029 1.00 0.00 O ATOM 544 CB CYS A 38 42.174 13.425 -28.031 1.00 0.00 C ATOM 545 SG CYS A 38 43.337 12.402 -28.991 1.00 0.00 S ATOM 0 H CYS A 38 42.981 15.733 -29.657 1.00 0.00 H new ATOM 0 HA CYS A 38 40.581 14.094 -29.315 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.713 13.897 -27.209 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.418 12.778 -27.587 1.00 0.00 H new ATOM 550 N GLN A 39 40.075 15.400 -27.090 1.00 0.00 N ATOM 551 CA GLN A 39 39.575 16.413 -26.167 1.00 0.00 C ATOM 552 C GLN A 39 39.826 16.001 -24.720 1.00 0.00 C ATOM 553 O GLN A 39 39.344 14.962 -24.266 1.00 0.00 O ATOM 554 CB GLN A 39 38.080 16.644 -26.391 1.00 0.00 C ATOM 555 CG GLN A 39 37.775 17.601 -27.531 1.00 0.00 C ATOM 556 CD GLN A 39 36.287 17.747 -27.787 1.00 0.00 C ATOM 557 OE1 GLN A 39 35.582 16.623 -27.827 1.00 0.00 O flip ATOM 558 NE2 GLN A 39 35.779 18.856 -27.946 1.00 0.00 N flip ATOM 0 H GLN A 39 39.611 14.495 -27.014 1.00 0.00 H new ATOM 0 HA GLN A 39 40.112 17.342 -26.360 1.00 0.00 H new ATOM 0 HB2 GLN A 39 37.600 15.687 -26.593 1.00 0.00 H new ATOM 0 HB3 GLN A 39 37.640 17.034 -25.473 1.00 0.00 H new ATOM 0 HG2 GLN A 39 38.198 18.579 -27.303 1.00 0.00 H new ATOM 0 HG3 GLN A 39 38.263 17.246 -28.439 1.00 0.00 H new ATOM 0 HE21 GLN A 39 36.360 19.693 -27.907 1.00 0.00 H new ATOM 0 HE22 GLN A 39 34.777 18.938 -28.117 1.00 0.00 H new ATOM 636 N GLN A 45 30.820 22.954 -21.062 1.00 0.00 N ATOM 637 CA GLN A 45 29.558 23.451 -20.530 1.00 0.00 C ATOM 638 C GLN A 45 28.526 23.611 -21.641 1.00 0.00 C ATOM 639 O GLN A 45 28.772 23.237 -22.788 1.00 0.00 O ATOM 640 CB GLN A 45 29.770 24.790 -19.821 1.00 0.00 C ATOM 641 CG GLN A 45 31.008 24.823 -18.941 1.00 0.00 C ATOM 642 CD GLN A 45 30.792 25.602 -17.659 1.00 0.00 C ATOM 643 OE1 GLN A 45 31.062 26.802 -17.596 1.00 0.00 O ATOM 644 NE2 GLN A 45 30.304 24.923 -16.628 1.00 0.00 N ATOM 0 HA GLN A 45 29.184 22.722 -19.811 1.00 0.00 H new ATOM 0 HB2 GLN A 45 29.845 25.580 -20.569 1.00 0.00 H new ATOM 0 HB3 GLN A 45 28.894 25.011 -19.210 1.00 0.00 H new ATOM 0 HG2 GLN A 45 31.302 23.802 -18.696 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.833 25.268 -19.497 1.00 0.00 H new ATOM 0 HE21 GLN A 45 30.094 23.929 -16.725 1.00 0.00 H new ATOM 0 HE22 GLN A 45 30.139 25.395 -15.739 1.00 0.00 H new ATOM 653 N THR A 46 27.374 24.172 -21.296 1.00 0.00 N ATOM 654 CA THR A 46 26.306 24.383 -22.264 1.00 0.00 C ATOM 655 C THR A 46 25.500 25.633 -21.930 1.00 0.00 C ATOM 656 O THR A 46 24.958 25.760 -20.831 1.00 0.00 O ATOM 657 CB THR A 46 25.356 23.173 -22.328 1.00 0.00 C ATOM 658 OG1 THR A 46 25.217 22.588 -21.027 1.00 0.00 O ATOM 659 CG2 THR A 46 25.877 22.129 -23.304 1.00 0.00 C ATOM 0 H THR A 46 27.155 24.489 -20.352 1.00 0.00 H new ATOM 0 HA THR A 46 26.782 24.511 -23.236 1.00 0.00 H new ATOM 0 HB THR A 46 24.383 23.521 -22.675 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.521 21.899 -21.051 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.190 21.283 -23.333 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.955 22.568 -24.299 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.860 21.787 -22.980 1.00 0.00 H new ATOM 667 N TYR A 47 25.427 26.556 -22.885 1.00 0.00 N ATOM 668 CA TYR A 47 24.688 27.800 -22.693 1.00 0.00 C ATOM 669 C TYR A 47 23.834 28.125 -23.914 1.00 0.00 C ATOM 670 O TYR A 47 24.031 27.563 -24.992 1.00 0.00 O ATOM 671 CB TYR A 47 25.657 28.952 -22.421 1.00 0.00 C ATOM 672 CG TYR A 47 26.678 29.152 -23.519 1.00 0.00 C ATOM 673 CD1 TYR A 47 26.353 29.847 -24.676 1.00 0.00 C ATOM 674 CD2 TYR A 47 27.963 28.642 -23.398 1.00 0.00 C ATOM 675 CE1 TYR A 47 27.282 30.029 -25.683 1.00 0.00 C ATOM 676 CE2 TYR A 47 28.898 28.820 -24.400 1.00 0.00 C ATOM 677 CZ TYR A 47 28.552 29.514 -25.541 1.00 0.00 C ATOM 678 OH TYR A 47 29.480 29.690 -26.541 1.00 0.00 O ATOM 0 H TYR A 47 25.870 26.466 -23.799 1.00 0.00 H new ATOM 0 HA TYR A 47 24.028 27.670 -21.835 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.088 29.873 -22.293 1.00 0.00 H new ATOM 0 HB3 TYR A 47 26.177 28.765 -21.481 1.00 0.00 H new ATOM 0 HD1 TYR A 47 25.358 30.252 -24.791 1.00 0.00 H new ATOM 0 HD2 TYR A 47 28.237 28.097 -22.507 1.00 0.00 H new ATOM 0 HE1 TYR A 47 27.014 30.572 -26.577 1.00 0.00 H new ATOM 0 HE2 TYR A 47 29.894 28.418 -24.290 1.00 0.00 H new ATOM 0 HH TYR A 47 29.938 28.841 -26.716 1.00 0.00 H new ATOM 688 N GLY A 48 22.886 29.040 -23.736 1.00 0.00 N ATOM 689 CA GLY A 48 22.015 29.434 -24.827 1.00 0.00 C ATOM 690 C GLY A 48 21.618 28.269 -25.710 1.00 0.00 C ATOM 691 O GLY A 48 21.290 27.190 -25.216 1.00 0.00 O ATOM 0 H GLY A 48 22.706 29.517 -22.852 1.00 0.00 H new ATOM 0 HA2 GLY A 48 21.117 29.898 -24.420 1.00 0.00 H new ATOM 0 HA3 GLY A 48 22.517 30.189 -25.433 1.00 0.00 H new ATOM 695 N GLY A 49 21.644 28.491 -27.019 1.00 0.00 N ATOM 696 CA GLY A 49 21.277 27.447 -27.957 1.00 0.00 C ATOM 697 C GLY A 49 19.775 27.314 -28.108 1.00 0.00 C ATOM 698 O GLY A 49 19.093 28.279 -28.451 1.00 0.00 O ATOM 0 H GLY A 49 21.913 29.376 -27.448 1.00 0.00 H new ATOM 0 HA2 GLY A 49 21.720 27.662 -28.929 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.692 26.497 -27.621 1.00 0.00 H new ATOM 702 N ASN A 50 19.259 26.118 -27.847 1.00 0.00 N ATOM 703 CA ASN A 50 17.827 25.866 -27.952 1.00 0.00 C ATOM 704 C ASN A 50 17.259 25.409 -26.613 1.00 0.00 C ATOM 705 O ASN A 50 16.043 25.346 -26.432 1.00 0.00 O ATOM 706 CB ASN A 50 17.547 24.813 -29.026 1.00 0.00 C ATOM 707 CG ASN A 50 16.145 24.925 -29.592 1.00 0.00 C ATOM 708 OD1 ASN A 50 16.049 25.309 -30.860 1.00 0.00 O flip ATOM 709 ND2 ASN A 50 15.161 24.668 -28.900 1.00 0.00 N flip ATOM 0 H ASN A 50 19.810 25.309 -27.562 1.00 0.00 H new ATOM 0 HA ASN A 50 17.339 26.798 -28.236 1.00 0.00 H new ATOM 0 HB2 ASN A 50 18.272 24.919 -29.833 1.00 0.00 H new ATOM 0 HB3 ASN A 50 17.686 23.819 -28.602 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.282 24.376 -27.930 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.224 24.746 -29.296 1.00 0.00 H new ATOM 716 N SER A 51 18.147 25.089 -25.676 1.00 0.00 N ATOM 717 CA SER A 51 17.732 24.636 -24.353 1.00 0.00 C ATOM 718 C SER A 51 18.419 25.447 -23.258 1.00 0.00 C ATOM 719 O SER A 51 18.522 25.002 -22.116 1.00 0.00 O ATOM 720 CB SER A 51 18.051 23.150 -24.178 1.00 0.00 C ATOM 721 OG SER A 51 17.771 22.720 -22.857 1.00 0.00 O ATOM 0 H SER A 51 19.157 25.135 -25.809 1.00 0.00 H new ATOM 0 HA SER A 51 16.655 24.784 -24.267 1.00 0.00 H new ATOM 0 HB2 SER A 51 17.466 22.563 -24.886 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.102 22.971 -24.407 1.00 0.00 H new ATOM 0 HG SER A 51 17.740 23.496 -22.260 1.00 0.00 H new ATOM 727 N ASN A 52 18.888 26.639 -23.614 1.00 0.00 N ATOM 728 CA ASN A 52 19.564 27.509 -22.660 1.00 0.00 C ATOM 729 C ASN A 52 20.780 26.813 -22.057 1.00 0.00 C ATOM 730 O ASN A 52 21.283 27.217 -21.009 1.00 0.00 O ATOM 731 CB ASN A 52 18.601 27.931 -21.550 1.00 0.00 C ATOM 732 CG ASN A 52 19.283 28.757 -20.476 1.00 0.00 C ATOM 733 OD1 ASN A 52 20.214 29.511 -20.756 1.00 0.00 O ATOM 734 ND2 ASN A 52 18.821 28.616 -19.238 1.00 0.00 N ATOM 0 H ASN A 52 18.812 27.024 -24.556 1.00 0.00 H new ATOM 0 HA ASN A 52 19.903 28.397 -23.193 1.00 0.00 H new ATOM 0 HB2 ASN A 52 17.782 28.507 -21.982 1.00 0.00 H new ATOM 0 HB3 ASN A 52 18.161 27.042 -21.097 1.00 0.00 H new ATOM 0 HD21 ASN A 52 19.241 29.145 -18.474 1.00 0.00 H new ATOM 0 HD22 ASN A 52 18.047 27.979 -19.052 1.00 0.00 H new ATOM 741 N GLY A 53 21.247 25.765 -22.727 1.00 0.00 N ATOM 742 CA GLY A 53 22.399 25.029 -22.243 1.00 0.00 C ATOM 743 C GLY A 53 22.045 24.055 -21.135 1.00 0.00 C ATOM 744 O GLY A 53 22.242 24.349 -19.956 1.00 0.00 O ATOM 0 H GLY A 53 20.848 25.412 -23.597 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.851 24.483 -23.071 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.148 25.732 -21.878 1.00 0.00 H new ATOM 748 N GLU A 54 21.521 22.894 -21.515 1.00 0.00 N ATOM 749 CA GLU A 54 21.141 21.875 -20.544 1.00 0.00 C ATOM 750 C GLU A 54 21.985 20.616 -20.718 1.00 0.00 C ATOM 751 O GLU A 54 22.758 20.500 -21.670 1.00 0.00 O ATOM 752 CB GLU A 54 19.656 21.534 -20.683 1.00 0.00 C ATOM 753 CG GLU A 54 19.373 20.465 -21.725 1.00 0.00 C ATOM 754 CD GLU A 54 18.901 19.162 -21.110 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.164 19.212 -20.103 1.00 0.00 O ATOM 756 OE2 GLU A 54 19.268 18.090 -21.637 1.00 0.00 O ATOM 0 H GLU A 54 21.350 22.636 -22.487 1.00 0.00 H new ATOM 0 HA GLU A 54 21.321 22.275 -19.546 1.00 0.00 H new ATOM 0 HB2 GLU A 54 19.277 21.198 -19.718 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.107 22.439 -20.944 1.00 0.00 H new ATOM 0 HG2 GLU A 54 18.616 20.830 -22.419 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.276 20.282 -22.307 1.00 0.00 H new ATOM 763 N PRO A 55 21.847 19.655 -19.793 1.00 0.00 N ATOM 764 CA PRO A 55 22.596 18.396 -19.840 1.00 0.00 C ATOM 765 C PRO A 55 22.452 17.683 -21.180 1.00 0.00 C ATOM 766 O PRO A 55 21.399 17.122 -21.485 1.00 0.00 O ATOM 767 CB PRO A 55 21.965 17.563 -18.720 1.00 0.00 C ATOM 768 CG PRO A 55 21.385 18.564 -17.781 1.00 0.00 C ATOM 769 CD PRO A 55 20.946 19.724 -18.631 1.00 0.00 C ATOM 0 HA PRO A 55 23.667 18.557 -19.718 1.00 0.00 H new ATOM 0 HB2 PRO A 55 21.197 16.894 -19.109 1.00 0.00 H new ATOM 0 HB3 PRO A 55 22.709 16.940 -18.224 1.00 0.00 H new ATOM 0 HG2 PRO A 55 20.543 18.142 -17.232 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.122 18.879 -17.042 1.00 0.00 H new ATOM 0 HD2 PRO A 55 19.901 19.633 -18.927 1.00 0.00 H new ATOM 0 HD3 PRO A 55 21.046 20.671 -18.101 1.00 0.00 H new ATOM 777 N CYS A 56 23.515 17.708 -21.977 1.00 0.00 N ATOM 778 CA CYS A 56 23.506 17.063 -23.284 1.00 0.00 C ATOM 779 C CYS A 56 23.055 15.611 -23.169 1.00 0.00 C ATOM 780 O CYS A 56 22.969 15.062 -22.071 1.00 0.00 O ATOM 781 CB CYS A 56 24.894 17.138 -23.923 1.00 0.00 C ATOM 782 SG CYS A 56 25.720 18.747 -23.705 1.00 0.00 S ATOM 0 H CYS A 56 24.394 18.168 -21.740 1.00 0.00 H new ATOM 0 HA CYS A 56 22.797 17.592 -23.921 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.523 16.357 -23.496 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.805 16.928 -24.989 1.00 0.00 H new ATOM 787 N VAL A 57 22.759 14.996 -24.309 1.00 0.00 N ATOM 788 CA VAL A 57 22.304 13.612 -24.333 1.00 0.00 C ATOM 789 C VAL A 57 23.154 12.761 -25.270 1.00 0.00 C ATOM 790 O VAL A 57 22.676 12.291 -26.302 1.00 0.00 O ATOM 791 CB VAL A 57 20.835 13.518 -24.776 1.00 0.00 C ATOM 792 CG1 VAL A 57 20.696 13.928 -26.233 1.00 0.00 C ATOM 793 CG2 VAL A 57 20.297 12.113 -24.555 1.00 0.00 C ATOM 0 H VAL A 57 22.826 15.434 -25.228 1.00 0.00 H new ATOM 0 HA VAL A 57 22.403 13.233 -23.316 1.00 0.00 H new ATOM 0 HB VAL A 57 20.245 14.204 -24.169 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.651 13.857 -26.533 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.039 14.955 -26.356 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.298 13.267 -26.856 1.00 0.00 H new ATOM 0 HG21 VAL A 57 19.256 12.068 -24.875 1.00 0.00 H new ATOM 0 HG22 VAL A 57 20.886 11.402 -25.135 1.00 0.00 H new ATOM 0 HG23 VAL A 57 20.363 11.861 -23.497 1.00 0.00 H new ATOM 803 N LEU A 58 24.411 12.553 -24.899 1.00 0.00 N ATOM 804 CA LEU A 58 25.318 11.745 -25.707 1.00 0.00 C ATOM 805 C LEU A 58 25.775 10.516 -24.927 1.00 0.00 C ATOM 806 O LEU A 58 25.517 10.402 -23.728 1.00 0.00 O ATOM 807 CB LEU A 58 26.537 12.561 -26.151 1.00 0.00 C ATOM 808 CG LEU A 58 26.406 14.080 -26.007 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.390 14.486 -24.543 1.00 0.00 C ATOM 810 CD2 LEU A 58 27.542 14.779 -26.735 1.00 0.00 C ATOM 0 H LEU A 58 24.825 12.931 -24.047 1.00 0.00 H new ATOM 0 HA LEU A 58 24.776 11.423 -26.596 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.401 12.233 -25.573 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.745 12.330 -27.196 1.00 0.00 H new ATOM 0 HG LEU A 58 25.460 14.384 -26.456 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.296 15.569 -24.467 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.545 14.013 -24.043 1.00 0.00 H new ATOM 0 HD13 LEU A 58 27.318 14.168 -24.067 1.00 0.00 H new ATOM 0 HD21 LEU A 58 27.436 15.858 -26.624 1.00 0.00 H new ATOM 0 HD22 LEU A 58 28.495 14.463 -26.311 1.00 0.00 H new ATOM 0 HD23 LEU A 58 27.511 14.518 -27.793 1.00 0.00 H new ATOM 822 N PRO A 59 26.458 9.573 -25.596 1.00 0.00 N ATOM 823 CA PRO A 59 26.785 9.675 -27.025 1.00 0.00 C ATOM 824 C PRO A 59 25.549 9.689 -27.915 1.00 0.00 C ATOM 825 O PRO A 59 24.724 8.777 -27.860 1.00 0.00 O ATOM 826 CB PRO A 59 27.601 8.406 -27.304 1.00 0.00 C ATOM 827 CG PRO A 59 28.055 7.929 -25.966 1.00 0.00 C ATOM 828 CD PRO A 59 26.975 8.330 -25.006 1.00 0.00 C ATOM 0 HA PRO A 59 27.311 10.605 -27.241 1.00 0.00 H new ATOM 0 HB2 PRO A 59 26.996 7.651 -27.806 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.449 8.619 -27.955 1.00 0.00 H new ATOM 0 HG2 PRO A 59 28.200 6.849 -25.964 1.00 0.00 H new ATOM 0 HG3 PRO A 59 29.009 8.379 -25.693 1.00 0.00 H new ATOM 0 HD2 PRO A 59 26.200 7.567 -24.927 1.00 0.00 H new ATOM 0 HD3 PRO A 59 27.366 8.492 -24.002 1.00 0.00 H new ATOM 836 N PHE A 60 25.432 10.717 -28.750 1.00 0.00 N ATOM 837 CA PHE A 60 24.300 10.822 -29.664 1.00 0.00 C ATOM 838 C PHE A 60 24.750 10.541 -31.093 1.00 0.00 C ATOM 839 O PHE A 60 25.932 10.305 -31.342 1.00 0.00 O ATOM 840 CB PHE A 60 23.653 12.206 -29.576 1.00 0.00 C ATOM 841 CG PHE A 60 24.636 13.335 -29.652 1.00 0.00 C ATOM 842 CD1 PHE A 60 25.487 13.460 -30.737 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.707 14.273 -28.636 1.00 0.00 C ATOM 844 CE1 PHE A 60 26.393 14.500 -30.807 1.00 0.00 C ATOM 845 CE2 PHE A 60 25.609 15.315 -28.700 1.00 0.00 C ATOM 846 CZ PHE A 60 26.453 15.429 -29.787 1.00 0.00 C ATOM 0 H PHE A 60 26.102 11.484 -28.813 1.00 0.00 H new ATOM 0 HA PHE A 60 23.557 10.079 -29.374 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.929 12.311 -30.384 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.099 12.280 -28.640 1.00 0.00 H new ATOM 0 HD1 PHE A 60 25.442 12.736 -31.537 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.049 14.188 -27.784 1.00 0.00 H new ATOM 0 HE1 PHE A 60 27.053 14.587 -31.657 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.655 16.040 -27.901 1.00 0.00 H new ATOM 0 HZ PHE A 60 27.160 16.244 -29.839 1.00 0.00 H new ATOM 856 N THR A 61 23.810 10.562 -32.031 1.00 0.00 N ATOM 857 CA THR A 61 24.131 10.301 -33.427 1.00 0.00 C ATOM 858 C THR A 61 23.757 11.484 -34.308 1.00 0.00 C ATOM 859 O THR A 61 22.600 11.903 -34.347 1.00 0.00 O ATOM 860 CB THR A 61 23.409 9.044 -33.941 1.00 0.00 C ATOM 861 OG1 THR A 61 22.964 8.246 -32.838 1.00 0.00 O ATOM 862 CG2 THR A 61 24.328 8.218 -34.829 1.00 0.00 C ATOM 0 H THR A 61 22.825 10.756 -31.851 1.00 0.00 H new ATOM 0 HA THR A 61 25.208 10.141 -33.480 1.00 0.00 H new ATOM 0 HB THR A 61 22.548 9.363 -34.529 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.504 7.449 -33.175 1.00 0.00 H new ATOM 0 HG21 THR A 61 23.796 7.334 -35.181 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.642 8.817 -35.684 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.205 7.911 -34.259 1.00 0.00 H new ATOM 870 N TYR A 62 24.745 12.017 -35.017 1.00 0.00 N ATOM 871 CA TYR A 62 24.521 13.152 -35.902 1.00 0.00 C ATOM 872 C TYR A 62 25.382 13.041 -37.156 1.00 0.00 C ATOM 873 O TYR A 62 26.574 12.743 -37.077 1.00 0.00 O ATOM 874 CB TYR A 62 24.824 14.465 -35.179 1.00 0.00 C ATOM 875 CG TYR A 62 24.595 15.689 -36.035 1.00 0.00 C ATOM 876 CD1 TYR A 62 23.319 16.212 -36.205 1.00 0.00 C ATOM 877 CD2 TYR A 62 25.653 16.320 -36.676 1.00 0.00 C ATOM 878 CE1 TYR A 62 23.104 17.328 -36.991 1.00 0.00 C ATOM 879 CE2 TYR A 62 25.447 17.438 -37.464 1.00 0.00 C ATOM 880 CZ TYR A 62 24.171 17.937 -37.618 1.00 0.00 C ATOM 881 OH TYR A 62 23.961 19.048 -38.402 1.00 0.00 O ATOM 0 H TYR A 62 25.708 11.681 -34.996 1.00 0.00 H new ATOM 0 HA TYR A 62 23.472 13.144 -36.198 1.00 0.00 H new ATOM 0 HB2 TYR A 62 24.200 14.532 -34.288 1.00 0.00 H new ATOM 0 HB3 TYR A 62 25.861 14.455 -34.843 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.481 15.738 -35.715 1.00 0.00 H new ATOM 0 HD2 TYR A 62 26.654 15.931 -36.557 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.106 17.721 -37.114 1.00 0.00 H new ATOM 0 HE2 TYR A 62 26.281 17.917 -37.956 1.00 0.00 H new ATOM 0 HH TYR A 62 23.188 19.547 -38.063 1.00 0.00 H new ATOM 891 N ASN A 63 24.773 13.284 -38.312 1.00 0.00 N ATOM 892 CA ASN A 63 25.489 13.212 -39.580 1.00 0.00 C ATOM 893 C ASN A 63 25.819 11.767 -39.944 1.00 0.00 C ATOM 894 O ASN A 63 26.485 11.506 -40.946 1.00 0.00 O ATOM 895 CB ASN A 63 26.774 14.040 -39.512 1.00 0.00 C ATOM 896 CG ASN A 63 27.263 14.463 -40.882 1.00 0.00 C ATOM 897 OD1 ASN A 63 27.396 15.768 -41.086 1.00 0.00 O flip ATOM 898 ND2 ASN A 63 27.520 13.625 -41.748 1.00 0.00 N flip ATOM 0 H ASN A 63 23.787 13.532 -38.397 1.00 0.00 H new ATOM 0 HA ASN A 63 24.841 13.621 -40.355 1.00 0.00 H new ATOM 0 HB2 ASN A 63 26.600 14.926 -38.902 1.00 0.00 H new ATOM 0 HB3 ASN A 63 27.551 13.459 -39.015 1.00 0.00 H new ATOM 0 HD21 ASN A 63 27.403 12.632 -41.547 1.00 0.00 H new ATOM 0 HD22 ASN A 63 27.850 13.925 -42.666 1.00 0.00 H new ATOM 905 N GLY A 64 25.348 10.831 -39.126 1.00 0.00 N ATOM 906 CA GLY A 64 25.604 9.425 -39.382 1.00 0.00 C ATOM 907 C GLY A 64 26.632 8.839 -38.435 1.00 0.00 C ATOM 908 O GLY A 64 26.838 7.626 -38.406 1.00 0.00 O ATOM 0 H GLY A 64 24.794 11.021 -38.291 1.00 0.00 H new ATOM 0 HA2 GLY A 64 24.672 8.867 -39.291 1.00 0.00 H new ATOM 0 HA3 GLY A 64 25.950 9.303 -40.409 1.00 0.00 H new ATOM 912 N ARG A 65 27.279 9.701 -37.659 1.00 0.00 N ATOM 913 CA ARG A 65 28.292 9.261 -36.707 1.00 0.00 C ATOM 914 C ARG A 65 27.812 9.449 -35.273 1.00 0.00 C ATOM 915 O ARG A 65 26.616 9.605 -35.023 1.00 0.00 O ATOM 916 CB ARG A 65 29.595 10.032 -36.925 1.00 0.00 C ATOM 917 CG ARG A 65 29.503 11.502 -36.552 1.00 0.00 C ATOM 918 CD ARG A 65 30.421 12.350 -37.413 1.00 0.00 C ATOM 919 NE ARG A 65 30.072 12.252 -38.823 1.00 0.00 N ATOM 920 CZ ARG A 65 30.733 12.876 -39.792 1.00 0.00 C ATOM 921 NH1 ARG A 65 31.775 13.642 -39.501 1.00 0.00 N ATOM 922 NH2 ARG A 65 30.352 12.733 -41.054 1.00 0.00 N ATOM 0 H ARG A 65 27.120 10.708 -37.670 1.00 0.00 H new ATOM 0 HA ARG A 65 28.472 8.199 -36.873 1.00 0.00 H new ATOM 0 HB2 ARG A 65 30.386 9.566 -36.337 1.00 0.00 H new ATOM 0 HB3 ARG A 65 29.885 9.949 -37.972 1.00 0.00 H new ATOM 0 HG2 ARG A 65 28.475 11.844 -36.667 1.00 0.00 H new ATOM 0 HG3 ARG A 65 29.766 11.630 -35.502 1.00 0.00 H new ATOM 0 HD2 ARG A 65 30.362 13.391 -37.094 1.00 0.00 H new ATOM 0 HD3 ARG A 65 31.453 12.031 -37.270 1.00 0.00 H new ATOM 0 HE ARG A 65 29.274 11.671 -39.082 1.00 0.00 H new ATOM 0 HH11 ARG A 65 32.071 13.753 -38.531 1.00 0.00 H new ATOM 0 HH12 ARG A 65 32.281 14.120 -40.247 1.00 0.00 H new ATOM 0 HH21 ARG A 65 29.551 12.144 -41.281 1.00 0.00 H new ATOM 0 HH22 ARG A 65 30.860 13.212 -41.797 1.00 0.00 H new ATOM 936 N THR A 66 28.752 9.437 -34.335 1.00 0.00 N ATOM 937 CA THR A 66 28.428 9.610 -32.925 1.00 0.00 C ATOM 938 C THR A 66 29.403 10.571 -32.255 1.00 0.00 C ATOM 939 O THR A 66 30.529 10.749 -32.718 1.00 0.00 O ATOM 940 CB THR A 66 28.452 8.267 -32.172 1.00 0.00 C ATOM 941 OG1 THR A 66 28.110 7.197 -33.062 1.00 0.00 O ATOM 942 CG2 THR A 66 27.482 8.289 -31.000 1.00 0.00 C ATOM 0 H THR A 66 29.746 9.309 -34.526 1.00 0.00 H new ATOM 0 HA THR A 66 27.421 10.024 -32.880 1.00 0.00 H new ATOM 0 HB THR A 66 29.460 8.109 -31.788 1.00 0.00 H new ATOM 0 HG1 THR A 66 28.130 6.347 -32.575 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.515 7.330 -30.482 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.763 9.084 -30.310 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.472 8.468 -31.367 1.00 0.00 H new ATOM 950 N PHE A 67 28.964 11.189 -31.164 1.00 0.00 N ATOM 951 CA PHE A 67 29.802 12.133 -30.436 1.00 0.00 C ATOM 952 C PHE A 67 29.550 12.046 -28.933 1.00 0.00 C ATOM 953 O PHE A 67 28.410 11.881 -28.493 1.00 0.00 O ATOM 954 CB PHE A 67 29.544 13.559 -30.926 1.00 0.00 C ATOM 955 CG PHE A 67 29.340 13.664 -32.411 1.00 0.00 C ATOM 956 CD1 PHE A 67 28.229 13.094 -33.016 1.00 0.00 C ATOM 957 CD2 PHE A 67 30.254 14.340 -33.203 1.00 0.00 C ATOM 958 CE1 PHE A 67 28.035 13.198 -34.381 1.00 0.00 C ATOM 959 CE2 PHE A 67 30.066 14.445 -34.568 1.00 0.00 C ATOM 960 CZ PHE A 67 28.956 13.874 -35.157 1.00 0.00 C ATOM 0 H PHE A 67 28.035 11.053 -30.766 1.00 0.00 H new ATOM 0 HA PHE A 67 30.843 11.872 -30.625 1.00 0.00 H new ATOM 0 HB2 PHE A 67 28.663 13.953 -30.419 1.00 0.00 H new ATOM 0 HB3 PHE A 67 30.386 14.189 -30.639 1.00 0.00 H new ATOM 0 HD1 PHE A 67 27.507 12.563 -32.413 1.00 0.00 H new ATOM 0 HD2 PHE A 67 31.124 14.790 -32.748 1.00 0.00 H new ATOM 0 HE1 PHE A 67 27.165 12.752 -34.839 1.00 0.00 H new ATOM 0 HE2 PHE A 67 30.787 14.974 -35.174 1.00 0.00 H new ATOM 0 HZ PHE A 67 28.808 13.956 -36.224 1.00 0.00 H new ATOM 970 N TYR A 68 30.623 12.156 -28.152 1.00 0.00 N ATOM 971 CA TYR A 68 30.526 12.090 -26.697 1.00 0.00 C ATOM 972 C TYR A 68 30.570 13.485 -26.081 1.00 0.00 C ATOM 973 O TYR A 68 30.737 13.632 -24.870 1.00 0.00 O ATOM 974 CB TYR A 68 31.664 11.244 -26.123 1.00 0.00 C ATOM 975 CG TYR A 68 31.771 9.872 -26.744 1.00 0.00 C ATOM 976 CD1 TYR A 68 30.672 9.277 -27.343 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.971 9.173 -26.731 1.00 0.00 C ATOM 978 CE1 TYR A 68 30.762 8.023 -27.915 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.071 7.919 -27.301 1.00 0.00 C ATOM 980 CZ TYR A 68 31.964 7.349 -27.893 1.00 0.00 C ATOM 981 OH TYR A 68 32.059 6.100 -28.462 1.00 0.00 O ATOM 0 H TYR A 68 31.571 12.291 -28.504 1.00 0.00 H new ATOM 0 HA TYR A 68 29.571 11.627 -26.449 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.606 11.773 -26.266 1.00 0.00 H new ATOM 0 HB3 TYR A 68 31.519 11.137 -25.048 1.00 0.00 H new ATOM 0 HD1 TYR A 68 29.729 9.803 -27.363 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.840 9.617 -26.268 1.00 0.00 H new ATOM 0 HE1 TYR A 68 29.895 7.573 -28.377 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.011 7.388 -27.283 1.00 0.00 H new ATOM 0 HH TYR A 68 32.974 5.764 -28.362 1.00 0.00 H new ATOM 991 N SER A 69 30.424 14.506 -26.918 1.00 0.00 N ATOM 992 CA SER A 69 30.452 15.885 -26.447 1.00 0.00 C ATOM 993 C SER A 69 29.996 16.847 -27.537 1.00 0.00 C ATOM 994 O SER A 69 29.651 16.430 -28.643 1.00 0.00 O ATOM 995 CB SER A 69 31.860 16.256 -25.979 1.00 0.00 C ATOM 996 OG SER A 69 32.716 15.127 -25.989 1.00 0.00 O ATOM 0 H SER A 69 30.285 14.405 -27.923 1.00 0.00 H new ATOM 0 HA SER A 69 29.762 15.968 -25.607 1.00 0.00 H new ATOM 0 HB2 SER A 69 32.269 17.032 -26.626 1.00 0.00 H new ATOM 0 HB3 SER A 69 31.814 16.672 -24.973 1.00 0.00 H new ATOM 0 HG SER A 69 33.610 15.392 -25.687 1.00 0.00 H new ATOM 1002 N CYS A 70 29.997 18.134 -27.216 1.00 0.00 N ATOM 1003 CA CYS A 70 29.585 19.161 -28.159 1.00 0.00 C ATOM 1004 C CYS A 70 30.376 19.059 -29.460 1.00 0.00 C ATOM 1005 O CYS A 70 31.412 18.396 -29.517 1.00 0.00 O ATOM 1006 CB CYS A 70 29.772 20.542 -27.535 1.00 0.00 C ATOM 1007 SG CYS A 70 28.947 20.740 -25.922 1.00 0.00 S ATOM 0 H CYS A 70 30.281 18.491 -26.304 1.00 0.00 H new ATOM 0 HA CYS A 70 28.531 19.011 -28.393 1.00 0.00 H new ATOM 0 HB2 CYS A 70 30.838 20.734 -27.413 1.00 0.00 H new ATOM 0 HB3 CYS A 70 29.389 21.296 -28.223 1.00 0.00 H new ATOM 1012 N THR A 71 29.880 19.718 -30.502 1.00 0.00 N ATOM 1013 CA THR A 71 30.538 19.699 -31.803 1.00 0.00 C ATOM 1014 C THR A 71 30.026 20.823 -32.696 1.00 0.00 C ATOM 1015 O THR A 71 29.095 21.543 -32.334 1.00 0.00 O ATOM 1016 CB THR A 71 30.323 18.356 -32.522 1.00 0.00 C ATOM 1017 OG1 THR A 71 31.045 18.340 -33.758 1.00 0.00 O ATOM 1018 CG2 THR A 71 28.845 18.120 -32.793 1.00 0.00 C ATOM 0 H THR A 71 29.024 20.272 -30.471 1.00 0.00 H new ATOM 0 HA THR A 71 31.603 19.840 -31.618 1.00 0.00 H new ATOM 0 HB THR A 71 30.692 17.560 -31.875 1.00 0.00 H new ATOM 0 HG1 THR A 71 30.904 17.481 -34.208 1.00 0.00 H new ATOM 0 HG21 THR A 71 28.716 17.165 -33.302 1.00 0.00 H new ATOM 0 HG22 THR A 71 28.300 18.105 -31.849 1.00 0.00 H new ATOM 0 HG23 THR A 71 28.458 18.921 -33.422 1.00 0.00 H new ATOM 1026 N THR A 72 30.638 20.965 -33.867 1.00 0.00 N ATOM 1027 CA THR A 72 30.243 22.001 -34.814 1.00 0.00 C ATOM 1028 C THR A 72 30.025 21.416 -36.206 1.00 0.00 C ATOM 1029 O THR A 72 30.317 22.060 -37.213 1.00 0.00 O ATOM 1030 CB THR A 72 31.303 23.115 -34.899 1.00 0.00 C ATOM 1031 OG1 THR A 72 32.612 22.541 -34.995 1.00 0.00 O ATOM 1032 CG2 THR A 72 31.229 24.022 -33.680 1.00 0.00 C ATOM 0 H THR A 72 31.409 20.376 -34.183 1.00 0.00 H new ATOM 0 HA THR A 72 29.308 22.426 -34.449 1.00 0.00 H new ATOM 0 HB THR A 72 31.103 23.711 -35.790 1.00 0.00 H new ATOM 0 HG1 THR A 72 33.280 23.256 -35.050 1.00 0.00 H new ATOM 0 HG21 THR A 72 31.986 24.802 -33.760 1.00 0.00 H new ATOM 0 HG22 THR A 72 30.241 24.480 -33.626 1.00 0.00 H new ATOM 0 HG23 THR A 72 31.407 23.435 -32.779 1.00 0.00 H new ATOM 1040 N GLU A 73 29.512 20.191 -36.252 1.00 0.00 N ATOM 1041 CA GLU A 73 29.257 19.515 -37.518 1.00 0.00 C ATOM 1042 C GLU A 73 27.928 19.960 -38.122 1.00 0.00 C ATOM 1043 O GLU A 73 27.461 19.387 -39.107 1.00 0.00 O ATOM 1044 CB GLU A 73 29.256 18.001 -37.316 1.00 0.00 C ATOM 1045 CG GLU A 73 30.641 17.416 -37.092 1.00 0.00 C ATOM 1046 CD GLU A 73 31.459 17.355 -38.367 1.00 0.00 C ATOM 1047 OE1 GLU A 73 32.145 18.351 -38.680 1.00 0.00 O ATOM 1048 OE2 GLU A 73 31.414 16.312 -39.052 1.00 0.00 O ATOM 0 H GLU A 73 29.265 19.646 -35.426 1.00 0.00 H new ATOM 0 HA GLU A 73 30.054 19.785 -38.210 1.00 0.00 H new ATOM 0 HB2 GLU A 73 28.625 17.757 -36.461 1.00 0.00 H new ATOM 0 HB3 GLU A 73 28.807 17.527 -38.189 1.00 0.00 H new ATOM 0 HG2 GLU A 73 31.171 18.017 -36.353 1.00 0.00 H new ATOM 0 HG3 GLU A 73 30.545 16.413 -36.677 1.00 0.00 H new ATOM 1055 N GLY A 74 27.321 20.979 -37.525 1.00 0.00 N ATOM 1056 CA GLY A 74 26.051 21.474 -38.019 1.00 0.00 C ATOM 1057 C GLY A 74 26.071 22.964 -38.305 1.00 0.00 C ATOM 1058 O GLY A 74 25.027 23.568 -38.547 1.00 0.00 O ATOM 0 H GLY A 74 27.685 21.470 -36.709 1.00 0.00 H new ATOM 0 HA2 GLY A 74 25.787 20.937 -38.930 1.00 0.00 H new ATOM 0 HA3 GLY A 74 25.273 21.260 -37.286 1.00 0.00 H new ATOM 1122 N HIS A 79 30.552 27.296 -33.461 1.00 0.00 N ATOM 1123 CA HIS A 79 29.856 27.193 -32.185 1.00 0.00 C ATOM 1124 C HIS A 79 29.579 25.735 -31.835 1.00 0.00 C ATOM 1125 O HIS A 79 28.847 25.044 -32.543 1.00 0.00 O ATOM 1126 CB HIS A 79 28.544 27.976 -32.230 1.00 0.00 C ATOM 1127 CG HIS A 79 28.722 29.422 -32.571 1.00 0.00 C ATOM 1128 ND1 HIS A 79 29.959 30.016 -32.707 1.00 0.00 N ATOM 1129 CD2 HIS A 79 27.811 30.397 -32.804 1.00 0.00 C ATOM 1130 CE1 HIS A 79 29.801 31.293 -33.009 1.00 0.00 C ATOM 1131 NE2 HIS A 79 28.508 31.549 -33.074 1.00 0.00 N ATOM 0 HA HIS A 79 30.498 27.619 -31.414 1.00 0.00 H new ATOM 0 HB2 HIS A 79 27.881 27.517 -32.964 1.00 0.00 H new ATOM 0 HB3 HIS A 79 28.050 27.898 -31.261 1.00 0.00 H new ATOM 0 HD1 HIS A 79 30.856 29.544 -32.592 1.00 0.00 H new ATOM 0 HD2 HIS A 79 26.737 30.289 -32.782 1.00 0.00 H new ATOM 0 HE1 HIS A 79 30.595 32.006 -33.174 1.00 0.00 H new ATOM 1140 N LEU A 80 30.166 25.275 -30.735 1.00 0.00 N ATOM 1141 CA LEU A 80 29.981 23.900 -30.289 1.00 0.00 C ATOM 1142 C LEU A 80 28.582 23.703 -29.716 1.00 0.00 C ATOM 1143 O LEU A 80 28.127 24.489 -28.884 1.00 0.00 O ATOM 1144 CB LEU A 80 31.031 23.536 -29.239 1.00 0.00 C ATOM 1145 CG LEU A 80 32.361 23.033 -29.801 1.00 0.00 C ATOM 1146 CD1 LEU A 80 32.983 24.075 -30.715 1.00 0.00 C ATOM 1147 CD2 LEU A 80 33.313 22.675 -28.670 1.00 0.00 C ATOM 0 H LEU A 80 30.774 25.835 -30.137 1.00 0.00 H new ATOM 0 HA LEU A 80 30.099 23.243 -31.151 1.00 0.00 H new ATOM 0 HB2 LEU A 80 31.224 24.413 -28.621 1.00 0.00 H new ATOM 0 HB3 LEU A 80 30.617 22.769 -28.584 1.00 0.00 H new ATOM 0 HG LEU A 80 32.170 22.135 -30.388 1.00 0.00 H new ATOM 0 HD11 LEU A 80 33.929 23.699 -31.105 1.00 0.00 H new ATOM 0 HD12 LEU A 80 32.306 24.283 -31.543 1.00 0.00 H new ATOM 0 HD13 LEU A 80 33.161 24.992 -30.153 1.00 0.00 H new ATOM 0 HD21 LEU A 80 34.255 22.319 -29.087 1.00 0.00 H new ATOM 0 HD22 LEU A 80 33.498 23.557 -28.057 1.00 0.00 H new ATOM 0 HD23 LEU A 80 32.869 21.892 -28.055 1.00 0.00 H new ATOM 1159 N TRP A 81 27.902 22.655 -30.168 1.00 0.00 N ATOM 1160 CA TRP A 81 26.554 22.365 -29.698 1.00 0.00 C ATOM 1161 C TRP A 81 26.383 20.882 -29.390 1.00 0.00 C ATOM 1162 O TRP A 81 27.049 20.032 -29.980 1.00 0.00 O ATOM 1163 CB TRP A 81 25.526 22.800 -30.744 1.00 0.00 C ATOM 1164 CG TRP A 81 25.652 22.062 -32.041 1.00 0.00 C ATOM 1165 CD1 TRP A 81 26.320 22.477 -33.156 1.00 0.00 C ATOM 1166 CD2 TRP A 81 25.098 20.781 -32.358 1.00 0.00 C ATOM 1167 NE1 TRP A 81 26.214 21.534 -34.149 1.00 0.00 N ATOM 1168 CE2 TRP A 81 25.468 20.482 -33.683 1.00 0.00 C ATOM 1169 CE3 TRP A 81 24.323 19.857 -31.651 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 25.092 19.299 -34.314 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 23.950 18.683 -32.278 1.00 0.00 C ATOM 1172 CH2 TRP A 81 24.334 18.412 -33.597 1.00 0.00 C ATOM 0 H TRP A 81 28.261 21.995 -30.857 1.00 0.00 H new ATOM 0 HA TRP A 81 26.392 22.925 -28.777 1.00 0.00 H new ATOM 0 HB2 TRP A 81 24.524 22.648 -30.343 1.00 0.00 H new ATOM 0 HB3 TRP A 81 25.637 23.868 -30.930 1.00 0.00 H new ATOM 0 HD1 TRP A 81 26.854 23.411 -33.245 1.00 0.00 H new ATOM 0 HE1 TRP A 81 26.623 21.605 -35.081 1.00 0.00 H new ATOM 0 HE3 TRP A 81 24.021 20.057 -30.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 25.387 19.089 -35.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 23.352 17.962 -31.741 1.00 0.00 H new ATOM 0 HH2 TRP A 81 24.026 17.485 -34.058 1.00 0.00 H new ATOM 1183 N CYS A 82 25.476 20.580 -28.467 1.00 0.00 N ATOM 1184 CA CYS A 82 25.201 19.200 -28.081 1.00 0.00 C ATOM 1185 C CYS A 82 23.698 18.949 -28.022 1.00 0.00 C ATOM 1186 O CYS A 82 22.910 19.886 -27.889 1.00 0.00 O ATOM 1187 CB CYS A 82 25.842 18.885 -26.727 1.00 0.00 C ATOM 1188 SG CYS A 82 25.133 19.812 -25.330 1.00 0.00 S ATOM 0 H CYS A 82 24.917 21.274 -27.971 1.00 0.00 H new ATOM 0 HA CYS A 82 25.634 18.542 -28.834 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.740 17.818 -26.529 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.909 19.098 -26.785 1.00 0.00 H new ATOM 1193 N SER A 83 23.304 17.685 -28.127 1.00 0.00 N ATOM 1194 CA SER A 83 21.891 17.322 -28.091 1.00 0.00 C ATOM 1195 C SER A 83 21.374 17.282 -26.657 1.00 0.00 C ATOM 1196 O SER A 83 22.068 16.826 -25.749 1.00 0.00 O ATOM 1197 CB SER A 83 21.666 15.968 -28.766 1.00 0.00 C ATOM 1198 OG SER A 83 20.414 15.416 -28.398 1.00 0.00 O ATOM 0 H SER A 83 23.941 16.896 -28.237 1.00 0.00 H new ATOM 0 HA SER A 83 21.336 18.085 -28.637 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.711 16.086 -29.849 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.466 15.282 -28.487 1.00 0.00 H new ATOM 0 HG SER A 83 20.352 14.496 -28.730 1.00 0.00 H new ATOM 1204 N THR A 84 20.151 17.761 -26.464 1.00 0.00 N ATOM 1205 CA THR A 84 19.536 17.782 -25.143 1.00 0.00 C ATOM 1206 C THR A 84 18.774 16.489 -24.878 1.00 0.00 C ATOM 1207 O THR A 84 18.719 16.008 -23.746 1.00 0.00 O ATOM 1208 CB THR A 84 18.575 18.977 -24.989 1.00 0.00 C ATOM 1209 OG1 THR A 84 17.585 18.945 -26.023 1.00 0.00 O ATOM 1210 CG2 THR A 84 19.336 20.294 -25.048 1.00 0.00 C ATOM 0 H THR A 84 19.565 18.141 -27.207 1.00 0.00 H new ATOM 0 HA THR A 84 20.342 17.882 -24.416 1.00 0.00 H new ATOM 0 HB THR A 84 18.087 18.901 -24.017 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.969 19.293 -26.855 1.00 0.00 H new ATOM 0 HG21 THR A 84 18.637 21.123 -24.937 1.00 0.00 H new ATOM 0 HG22 THR A 84 20.069 20.327 -24.242 1.00 0.00 H new ATOM 0 HG23 THR A 84 19.847 20.376 -26.007 1.00 0.00 H new ATOM 1218 N THR A 85 18.189 15.929 -25.932 1.00 0.00 N ATOM 1219 CA THR A 85 17.435 14.687 -25.816 1.00 0.00 C ATOM 1220 C THR A 85 17.964 13.636 -26.789 1.00 0.00 C ATOM 1221 O THR A 85 18.647 13.963 -27.759 1.00 0.00 O ATOM 1222 CB THR A 85 15.929 14.917 -26.063 1.00 0.00 C ATOM 1223 OG1 THR A 85 15.162 13.951 -25.335 1.00 0.00 O ATOM 1224 CG2 THR A 85 15.591 14.821 -27.544 1.00 0.00 C ATOM 0 H THR A 85 18.223 16.316 -26.875 1.00 0.00 H new ATOM 0 HA THR A 85 17.565 14.323 -24.797 1.00 0.00 H new ATOM 0 HB THR A 85 15.682 15.921 -25.718 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.207 14.104 -25.495 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.523 14.988 -27.685 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.152 15.576 -28.095 1.00 0.00 H new ATOM 0 HG23 THR A 85 15.856 13.831 -27.914 1.00 0.00 H new ATOM 1232 N SER A 86 17.641 12.377 -26.524 1.00 0.00 N ATOM 1233 CA SER A 86 18.085 11.276 -27.372 1.00 0.00 C ATOM 1234 C SER A 86 17.742 11.535 -28.834 1.00 0.00 C ATOM 1235 O SER A 86 18.614 11.495 -29.703 1.00 0.00 O ATOM 1236 CB SER A 86 17.451 9.964 -26.911 1.00 0.00 C ATOM 1237 OG SER A 86 18.150 8.847 -27.432 1.00 0.00 O ATOM 0 H SER A 86 17.072 12.091 -25.727 1.00 0.00 H new ATOM 0 HA SER A 86 19.169 11.200 -27.284 1.00 0.00 H new ATOM 0 HB2 SER A 86 17.450 9.920 -25.822 1.00 0.00 H new ATOM 0 HB3 SER A 86 16.410 9.927 -27.232 1.00 0.00 H new ATOM 0 HG SER A 86 17.725 8.021 -27.120 1.00 0.00 H new ATOM 1243 N ASN A 87 16.469 11.799 -29.100 1.00 0.00 N ATOM 1244 CA ASN A 87 16.012 12.060 -30.459 1.00 0.00 C ATOM 1245 C ASN A 87 16.098 13.546 -30.792 1.00 0.00 C ATOM 1246 O ASN A 87 15.103 14.266 -30.716 1.00 0.00 O ATOM 1247 CB ASN A 87 14.573 11.573 -30.637 1.00 0.00 C ATOM 1248 CG ASN A 87 14.450 10.516 -31.717 1.00 0.00 C ATOM 1249 OD1 ASN A 87 15.422 9.846 -32.061 1.00 0.00 O ATOM 1250 ND2 ASN A 87 13.246 10.362 -32.259 1.00 0.00 N ATOM 0 H ASN A 87 15.735 11.838 -28.393 1.00 0.00 H new ATOM 0 HA ASN A 87 16.664 11.515 -31.142 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.210 11.168 -29.693 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.934 12.420 -30.887 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.101 9.666 -32.991 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.467 10.940 -31.943 1.00 0.00 H new ATOM 1257 N TYR A 88 17.291 14.000 -31.170 1.00 0.00 N ATOM 1258 CA TYR A 88 17.492 15.399 -31.520 1.00 0.00 C ATOM 1259 C TYR A 88 16.972 15.673 -32.925 1.00 0.00 C ATOM 1260 O TYR A 88 16.510 16.774 -33.225 1.00 0.00 O ATOM 1261 CB TYR A 88 18.974 15.766 -31.432 1.00 0.00 C ATOM 1262 CG TYR A 88 19.321 17.048 -32.154 1.00 0.00 C ATOM 1263 CD1 TYR A 88 19.197 18.279 -31.523 1.00 0.00 C ATOM 1264 CD2 TYR A 88 19.776 17.026 -33.466 1.00 0.00 C ATOM 1265 CE1 TYR A 88 19.514 19.453 -32.179 1.00 0.00 C ATOM 1266 CE2 TYR A 88 20.096 18.196 -34.130 1.00 0.00 C ATOM 1267 CZ TYR A 88 19.963 19.406 -33.482 1.00 0.00 C ATOM 1268 OH TYR A 88 20.280 20.572 -34.139 1.00 0.00 O ATOM 0 H TYR A 88 18.128 13.421 -31.241 1.00 0.00 H new ATOM 0 HA TYR A 88 16.936 16.013 -30.811 1.00 0.00 H new ATOM 0 HB2 TYR A 88 19.255 15.861 -30.383 1.00 0.00 H new ATOM 0 HB3 TYR A 88 19.567 14.952 -31.848 1.00 0.00 H new ATOM 0 HD1 TYR A 88 18.847 18.319 -30.502 1.00 0.00 H new ATOM 0 HD2 TYR A 88 19.882 16.080 -33.976 1.00 0.00 H new ATOM 0 HE1 TYR A 88 19.411 20.402 -31.674 1.00 0.00 H new ATOM 0 HE2 TYR A 88 20.448 18.162 -35.150 1.00 0.00 H new ATOM 0 HH TYR A 88 19.537 21.206 -34.057 1.00 0.00 H new ATOM 1278 N GLU A 89 17.046 14.659 -33.781 1.00 0.00 N ATOM 1279 CA GLU A 89 16.577 14.784 -35.154 1.00 0.00 C ATOM 1280 C GLU A 89 15.052 14.824 -35.199 1.00 0.00 C ATOM 1281 O GLU A 89 14.458 15.114 -36.238 1.00 0.00 O ATOM 1282 CB GLU A 89 17.094 13.621 -36.002 1.00 0.00 C ATOM 1283 CG GLU A 89 18.539 13.786 -36.446 1.00 0.00 C ATOM 1284 CD GLU A 89 18.751 13.402 -37.897 1.00 0.00 C ATOM 1285 OE1 GLU A 89 17.754 13.081 -38.579 1.00 0.00 O ATOM 1286 OE2 GLU A 89 19.914 13.420 -38.353 1.00 0.00 O ATOM 0 H GLU A 89 17.426 13.742 -33.547 1.00 0.00 H new ATOM 0 HA GLU A 89 16.963 15.718 -35.563 1.00 0.00 H new ATOM 0 HB2 GLU A 89 17.001 12.697 -35.431 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.462 13.516 -36.884 1.00 0.00 H new ATOM 0 HG2 GLU A 89 18.844 14.822 -36.300 1.00 0.00 H new ATOM 0 HG3 GLU A 89 19.182 13.173 -35.814 1.00 0.00 H new ATOM 1293 N GLN A 90 14.425 14.532 -34.063 1.00 0.00 N ATOM 1294 CA GLN A 90 12.971 14.535 -33.966 1.00 0.00 C ATOM 1295 C GLN A 90 12.481 15.810 -33.286 1.00 0.00 C ATOM 1296 O GLN A 90 11.554 16.465 -33.764 1.00 0.00 O ATOM 1297 CB GLN A 90 12.495 13.289 -33.201 1.00 0.00 C ATOM 1298 CG GLN A 90 11.307 13.530 -32.277 1.00 0.00 C ATOM 1299 CD GLN A 90 10.010 13.730 -33.034 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.009 14.167 -34.185 1.00 0.00 O ATOM 1301 NE2 GLN A 90 8.894 13.411 -32.388 1.00 0.00 N ATOM 0 H GLN A 90 14.904 14.290 -33.195 1.00 0.00 H new ATOM 0 HA GLN A 90 12.550 14.508 -34.971 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.228 12.516 -33.921 1.00 0.00 H new ATOM 0 HB3 GLN A 90 13.325 12.901 -32.611 1.00 0.00 H new ATOM 0 HG2 GLN A 90 11.201 12.683 -31.600 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.503 14.408 -31.661 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.942 13.052 -31.434 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.990 13.525 -32.846 1.00 0.00 H new ATOM 1310 N ASP A 91 13.114 16.158 -32.175 1.00 0.00 N ATOM 1311 CA ASP A 91 12.752 17.357 -31.429 1.00 0.00 C ATOM 1312 C ASP A 91 13.465 18.579 -32.002 1.00 0.00 C ATOM 1313 O ASP A 91 12.844 19.610 -32.258 1.00 0.00 O ATOM 1314 CB ASP A 91 13.094 17.183 -29.949 1.00 0.00 C ATOM 1315 CG ASP A 91 11.868 16.903 -29.103 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.155 17.868 -28.754 1.00 0.00 O ATOM 1317 OD2 ASP A 91 11.620 15.720 -28.790 1.00 0.00 O ATOM 0 H ASP A 91 13.883 15.626 -31.768 1.00 0.00 H new ATOM 0 HA ASP A 91 11.677 17.512 -31.522 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.805 16.364 -29.837 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.586 18.084 -29.584 1.00 0.00 H new ATOM 1322 N GLN A 92 14.771 18.446 -32.215 1.00 0.00 N ATOM 1323 CA GLN A 92 15.575 19.528 -32.776 1.00 0.00 C ATOM 1324 C GLN A 92 15.968 20.551 -31.714 1.00 0.00 C ATOM 1325 O GLN A 92 15.963 21.756 -31.970 1.00 0.00 O ATOM 1326 CB GLN A 92 14.814 20.220 -33.910 1.00 0.00 C ATOM 1327 CG GLN A 92 15.580 20.256 -35.222 1.00 0.00 C ATOM 1328 CD GLN A 92 15.686 18.891 -35.874 1.00 0.00 C ATOM 1329 OE1 GLN A 92 16.717 18.225 -35.782 1.00 0.00 O ATOM 1330 NE2 GLN A 92 14.616 18.467 -36.538 1.00 0.00 N ATOM 0 H GLN A 92 15.297 17.597 -32.007 1.00 0.00 H new ATOM 0 HA GLN A 92 16.491 19.086 -33.169 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.865 19.706 -34.066 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.578 21.240 -33.608 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.086 20.945 -35.908 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.581 20.648 -35.043 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.782 19.052 -36.589 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.628 17.556 -36.997 1.00 0.00 H new ATOM 1339 N LYS A 93 16.320 20.067 -30.530 1.00 0.00 N ATOM 1340 CA LYS A 93 16.730 20.946 -29.439 1.00 0.00 C ATOM 1341 C LYS A 93 18.141 20.602 -28.977 1.00 0.00 C ATOM 1342 O LYS A 93 18.409 19.481 -28.546 1.00 0.00 O ATOM 1343 CB LYS A 93 15.755 20.844 -28.264 1.00 0.00 C ATOM 1344 CG LYS A 93 14.710 19.757 -28.428 1.00 0.00 C ATOM 1345 CD LYS A 93 15.226 18.412 -27.946 1.00 0.00 C ATOM 1346 CE LYS A 93 14.383 17.871 -26.802 1.00 0.00 C ATOM 1347 NZ LYS A 93 14.851 18.375 -25.481 1.00 0.00 N ATOM 0 H LYS A 93 16.330 19.073 -30.299 1.00 0.00 H new ATOM 0 HA LYS A 93 16.721 21.971 -29.810 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.320 20.657 -27.351 1.00 0.00 H new ATOM 0 HB3 LYS A 93 15.252 21.803 -28.137 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.813 20.025 -27.869 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.422 19.683 -29.477 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.220 17.701 -28.772 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.261 18.513 -27.621 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.342 18.157 -26.952 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.419 16.782 -26.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.709 17.640 -24.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.862 18.613 -25.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.310 19.224 -25.222 1.00 0.00 H new ATOM 1361 N TYR A 94 19.045 21.571 -29.082 1.00 0.00 N ATOM 1362 CA TYR A 94 20.432 21.364 -28.686 1.00 0.00 C ATOM 1363 C TYR A 94 20.939 22.508 -27.813 1.00 0.00 C ATOM 1364 O TYR A 94 20.261 23.519 -27.635 1.00 0.00 O ATOM 1365 CB TYR A 94 21.317 21.229 -29.926 1.00 0.00 C ATOM 1366 CG TYR A 94 21.470 22.515 -30.709 1.00 0.00 C ATOM 1367 CD1 TYR A 94 22.169 23.595 -30.181 1.00 0.00 C ATOM 1368 CD2 TYR A 94 20.917 22.649 -31.977 1.00 0.00 C ATOM 1369 CE1 TYR A 94 22.313 24.771 -30.896 1.00 0.00 C ATOM 1370 CE2 TYR A 94 21.056 23.821 -32.696 1.00 0.00 C ATOM 1371 CZ TYR A 94 21.754 24.878 -32.152 1.00 0.00 C ATOM 1372 OH TYR A 94 21.894 26.045 -32.866 1.00 0.00 O ATOM 0 H TYR A 94 18.842 22.505 -29.437 1.00 0.00 H new ATOM 0 HA TYR A 94 20.479 20.445 -28.102 1.00 0.00 H new ATOM 0 HB2 TYR A 94 22.304 20.881 -29.621 1.00 0.00 H new ATOM 0 HB3 TYR A 94 20.897 20.464 -30.579 1.00 0.00 H new ATOM 0 HD1 TYR A 94 22.607 23.515 -29.197 1.00 0.00 H new ATOM 0 HD2 TYR A 94 20.370 21.824 -32.408 1.00 0.00 H new ATOM 0 HE1 TYR A 94 22.860 25.600 -30.473 1.00 0.00 H new ATOM 0 HE2 TYR A 94 20.620 23.908 -33.680 1.00 0.00 H new ATOM 0 HH TYR A 94 21.443 25.955 -33.731 1.00 0.00 H new ATOM 1382 N SER A 95 22.146 22.338 -27.281 1.00 0.00 N ATOM 1383 CA SER A 95 22.763 23.350 -26.434 1.00 0.00 C ATOM 1384 C SER A 95 24.180 23.648 -26.908 1.00 0.00 C ATOM 1385 O SER A 95 24.894 22.751 -27.353 1.00 0.00 O ATOM 1386 CB SER A 95 22.784 22.890 -24.976 1.00 0.00 C ATOM 1387 OG SER A 95 22.472 21.511 -24.873 1.00 0.00 O ATOM 0 H SER A 95 22.717 21.505 -27.423 1.00 0.00 H new ATOM 0 HA SER A 95 22.170 24.262 -26.504 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.768 23.077 -24.546 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.068 23.473 -24.397 1.00 0.00 H new ATOM 0 HG SER A 95 23.281 20.980 -25.030 1.00 0.00 H new ATOM 1393 N PHE A 96 24.577 24.913 -26.821 1.00 0.00 N ATOM 1394 CA PHE A 96 25.907 25.328 -27.255 1.00 0.00 C ATOM 1395 C PHE A 96 26.984 24.863 -26.282 1.00 0.00 C ATOM 1396 O PHE A 96 26.697 24.172 -25.304 1.00 0.00 O ATOM 1397 CB PHE A 96 25.961 26.847 -27.412 1.00 0.00 C ATOM 1398 CG PHE A 96 25.420 27.323 -28.727 1.00 0.00 C ATOM 1399 CD1 PHE A 96 25.769 26.679 -29.904 1.00 0.00 C ATOM 1400 CD2 PHE A 96 24.558 28.406 -28.789 1.00 0.00 C ATOM 1401 CE1 PHE A 96 25.270 27.108 -31.119 1.00 0.00 C ATOM 1402 CE2 PHE A 96 24.056 28.840 -30.000 1.00 0.00 C ATOM 1403 CZ PHE A 96 24.411 28.191 -31.167 1.00 0.00 C ATOM 0 H PHE A 96 23.998 25.668 -26.454 1.00 0.00 H new ATOM 0 HA PHE A 96 26.103 24.860 -28.219 1.00 0.00 H new ATOM 0 HB2 PHE A 96 25.394 27.310 -26.604 1.00 0.00 H new ATOM 0 HB3 PHE A 96 26.994 27.180 -27.309 1.00 0.00 H new ATOM 0 HD1 PHE A 96 26.439 25.832 -29.871 1.00 0.00 H new ATOM 0 HD2 PHE A 96 24.276 28.916 -27.880 1.00 0.00 H new ATOM 0 HE1 PHE A 96 25.550 26.599 -32.029 1.00 0.00 H new ATOM 0 HE2 PHE A 96 23.386 29.686 -30.035 1.00 0.00 H new ATOM 0 HZ PHE A 96 24.019 28.529 -32.115 1.00 0.00 H new ATOM 1413 N CYS A 97 28.227 25.244 -26.564 1.00 0.00 N ATOM 1414 CA CYS A 97 29.354 24.865 -25.721 1.00 0.00 C ATOM 1415 C CYS A 97 30.405 25.970 -25.684 1.00 0.00 C ATOM 1416 O CYS A 97 30.627 26.665 -26.676 1.00 0.00 O ATOM 1417 CB CYS A 97 29.985 23.571 -26.233 1.00 0.00 C ATOM 1418 SG CYS A 97 30.001 22.218 -25.014 1.00 0.00 S ATOM 0 H CYS A 97 28.478 25.815 -27.371 1.00 0.00 H new ATOM 0 HA CYS A 97 28.980 24.709 -24.709 1.00 0.00 H new ATOM 0 HB2 CYS A 97 29.443 23.241 -27.119 1.00 0.00 H new ATOM 0 HB3 CYS A 97 31.009 23.777 -26.544 1.00 0.00 H new ATOM 1423 N THR A 98 31.051 26.125 -24.532 1.00 0.00 N ATOM 1424 CA THR A 98 32.081 27.141 -24.363 1.00 0.00 C ATOM 1425 C THR A 98 33.322 26.813 -25.186 1.00 0.00 C ATOM 1426 O THR A 98 33.977 27.707 -25.723 1.00 0.00 O ATOM 1427 CB THR A 98 32.482 27.289 -22.883 1.00 0.00 C ATOM 1428 OG1 THR A 98 33.593 26.435 -22.586 1.00 0.00 O ATOM 1429 CG2 THR A 98 31.313 26.946 -21.968 1.00 0.00 C ATOM 0 H THR A 98 30.878 25.558 -23.702 1.00 0.00 H new ATOM 0 HA THR A 98 31.658 28.082 -24.714 1.00 0.00 H new ATOM 0 HB THR A 98 32.767 28.327 -22.710 1.00 0.00 H new ATOM 0 HG1 THR A 98 33.842 26.537 -21.644 1.00 0.00 H new ATOM 0 HG21 THR A 98 31.620 27.058 -20.928 1.00 0.00 H new ATOM 0 HG22 THR A 98 30.480 27.618 -22.175 1.00 0.00 H new ATOM 0 HG23 THR A 98 31.002 25.917 -22.146 1.00 0.00 H new