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 17 GLN : amide:sc= -0.629 K(o=-2.5,f=-1.8) USER MOD Set 1.2: A 30 THR OG1 : rot 170:sc= -1.82! USER MOD Set 2.1: A 3 HIS : no HD1:sc= -1.11 K(o=-1.1,f=-0.16) USER MOD Set 2.2: A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.887! USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -123:sc= -0.381! USER MOD Single : A 16 MET CE :methyl 176:sc= 0 (180deg=-0.00626) 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 34 ASN : amide:sc= -6.94! C(o=-6.9!,f=-13!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.72) USER MOD Single : A 45 GLN : amide:sc= -0.189 K(o=-0.19,f=-2.9!) USER MOD Single : A 46 THR OG1 : rot -130:sc= -3.44! USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0.039) USER MOD Single : A 51 SER OG : rot -48:sc= 0.2 USER MOD Single : A 52 ASN : amide:sc= -1.25! C(o=-1.3!,f=-2.7!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -1.77! USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 165:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.105 USER MOD Single : A 71 THR OG1 : rot 160:sc= -0.788 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.54 X(o=-0.54,f=-0.11) USER MOD Single : A 83 SER OG : rot -101:sc= -0.617! USER MOD Single : A 84 THR OG1 : rot -50:sc= -1.44! USER MOD Single : A 85 THR OG1 : rot 177:sc= 0.147 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.48 K(o=-0.48,f=-1.9!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.05 K(o=-1.1,f=-0.41!) USER MOD Single : A 92 GLN : amide:sc= 0.961 K(o=0.96,f=-0.099) USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= 0.836 (180deg=0.76) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 78:sc= 0.775 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 44.006 1.969 -41.423 1.00 0.00 N ATOM 32 CA HIS A 3 43.296 1.582 -40.210 1.00 0.00 C ATOM 33 C HIS A 3 44.025 2.082 -38.967 1.00 0.00 C ATOM 34 O HIS A 3 45.237 1.911 -38.834 1.00 0.00 O ATOM 35 CB HIS A 3 43.146 0.062 -40.152 1.00 0.00 C ATOM 36 CG HIS A 3 41.940 -0.450 -40.877 1.00 0.00 C ATOM 37 ND1 HIS A 3 42.007 -1.072 -42.106 1.00 0.00 N ATOM 38 CD2 HIS A 3 40.629 -0.430 -40.541 1.00 0.00 C ATOM 39 CE1 HIS A 3 40.791 -1.412 -42.495 1.00 0.00 C ATOM 40 NE2 HIS A 3 39.936 -1.034 -41.562 1.00 0.00 N ATOM 0 HA HIS A 3 42.307 2.040 -40.234 1.00 0.00 H new ATOM 0 HB2 HIS A 3 44.038 -0.399 -40.577 1.00 0.00 H new ATOM 0 HB3 HIS A 3 43.092 -0.250 -39.109 1.00 0.00 H new ATOM 0 HD2 HIS A 3 40.206 -0.016 -39.638 1.00 0.00 H new ATOM 0 HE1 HIS A 3 40.539 -1.913 -43.418 1.00 0.00 H new ATOM 0 HE2 HIS A 3 38.925 -1.169 -41.594 1.00 0.00 H new ATOM 49 N CYS A 4 43.276 2.696 -38.057 1.00 0.00 N ATOM 50 CA CYS A 4 43.851 3.217 -36.818 1.00 0.00 C ATOM 51 C CYS A 4 43.465 2.341 -35.632 1.00 0.00 C ATOM 52 O CYS A 4 42.285 2.158 -35.343 1.00 0.00 O ATOM 53 CB CYS A 4 43.392 4.655 -36.568 1.00 0.00 C ATOM 54 SG CYS A 4 41.834 5.102 -37.405 1.00 0.00 S ATOM 0 H CYS A 4 42.272 2.846 -38.152 1.00 0.00 H new ATOM 0 HA CYS A 4 44.936 3.207 -36.926 1.00 0.00 H new ATOM 0 HB2 CYS A 4 43.270 4.804 -35.495 1.00 0.00 H new ATOM 0 HB3 CYS A 4 44.176 5.337 -36.897 1.00 0.00 H new ATOM 59 N VAL A 5 44.467 1.805 -34.949 1.00 0.00 N ATOM 60 CA VAL A 5 44.230 0.949 -33.794 1.00 0.00 C ATOM 61 C VAL A 5 44.607 1.658 -32.498 1.00 0.00 C ATOM 62 O VAL A 5 45.352 2.639 -32.511 1.00 0.00 O ATOM 63 CB VAL A 5 45.030 -0.364 -33.896 1.00 0.00 C ATOM 64 CG1 VAL A 5 44.494 -1.395 -32.914 1.00 0.00 C ATOM 65 CG2 VAL A 5 44.993 -0.901 -35.319 1.00 0.00 C ATOM 0 H VAL A 5 45.452 1.947 -35.174 1.00 0.00 H new ATOM 0 HA VAL A 5 43.165 0.719 -33.784 1.00 0.00 H new ATOM 0 HB VAL A 5 46.068 -0.157 -33.637 1.00 0.00 H new ATOM 0 HG11 VAL A 5 45.072 -2.315 -33.001 1.00 0.00 H new ATOM 0 HG12 VAL A 5 44.578 -1.008 -31.898 1.00 0.00 H new ATOM 0 HG13 VAL A 5 43.447 -1.601 -33.138 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.563 -1.829 -35.373 1.00 0.00 H new ATOM 0 HG22 VAL A 5 43.960 -1.093 -35.609 1.00 0.00 H new ATOM 0 HG23 VAL A 5 45.430 -0.167 -35.996 1.00 0.00 H new ATOM 75 N THR A 6 44.092 1.158 -31.380 1.00 0.00 N ATOM 76 CA THR A 6 44.378 1.744 -30.076 1.00 0.00 C ATOM 77 C THR A 6 44.909 0.690 -29.109 1.00 0.00 C ATOM 78 O THR A 6 46.116 0.584 -28.893 1.00 0.00 O ATOM 79 CB THR A 6 43.127 2.408 -29.466 1.00 0.00 C ATOM 80 OG1 THR A 6 43.044 2.109 -28.067 1.00 0.00 O ATOM 81 CG2 THR A 6 41.861 1.933 -30.161 1.00 0.00 C ATOM 0 H THR A 6 43.474 0.347 -31.351 1.00 0.00 H new ATOM 0 HA THR A 6 45.139 2.508 -30.232 1.00 0.00 H new ATOM 0 HB THR A 6 43.217 3.485 -29.606 1.00 0.00 H new ATOM 0 HG1 THR A 6 42.248 2.536 -27.688 1.00 0.00 H new ATOM 0 HG21 THR A 6 40.995 2.417 -29.710 1.00 0.00 H new ATOM 0 HG22 THR A 6 41.909 2.188 -31.220 1.00 0.00 H new ATOM 0 HG23 THR A 6 41.770 0.852 -30.052 1.00 0.00 H new ATOM 89 N ASP A 7 43.999 -0.087 -28.531 1.00 0.00 N ATOM 90 CA ASP A 7 44.377 -1.133 -27.588 1.00 0.00 C ATOM 91 C ASP A 7 44.641 -2.447 -28.314 1.00 0.00 C ATOM 92 O ASP A 7 45.767 -2.722 -28.731 1.00 0.00 O ATOM 93 CB ASP A 7 43.278 -1.328 -26.541 1.00 0.00 C ATOM 94 CG ASP A 7 43.447 -2.615 -25.759 1.00 0.00 C ATOM 95 OD1 ASP A 7 44.444 -2.733 -25.015 1.00 0.00 O ATOM 96 OD2 ASP A 7 42.583 -3.508 -25.890 1.00 0.00 O ATOM 0 H ASP A 7 42.996 -0.012 -28.699 1.00 0.00 H new ATOM 0 HA ASP A 7 45.294 -0.823 -27.087 1.00 0.00 H new ATOM 0 HB2 ASP A 7 43.283 -0.484 -25.852 1.00 0.00 H new ATOM 0 HB3 ASP A 7 42.306 -1.331 -27.035 1.00 0.00 H new ATOM 101 N SER A 8 43.598 -3.258 -28.461 1.00 0.00 N ATOM 102 CA SER A 8 43.720 -4.544 -29.137 1.00 0.00 C ATOM 103 C SER A 8 42.352 -5.075 -29.554 1.00 0.00 C ATOM 104 O SER A 8 41.744 -5.876 -28.844 1.00 0.00 O ATOM 105 CB SER A 8 44.417 -5.557 -28.226 1.00 0.00 C ATOM 106 OG SER A 8 44.860 -6.685 -28.962 1.00 0.00 O ATOM 0 H SER A 8 42.660 -3.047 -28.121 1.00 0.00 H new ATOM 0 HA SER A 8 44.320 -4.398 -30.035 1.00 0.00 H new ATOM 0 HB2 SER A 8 45.266 -5.084 -27.734 1.00 0.00 H new ATOM 0 HB3 SER A 8 43.731 -5.877 -27.441 1.00 0.00 H new ATOM 0 HG SER A 8 45.303 -7.316 -28.358 1.00 0.00 H new ATOM 112 N GLY A 9 41.874 -4.625 -30.710 1.00 0.00 N ATOM 113 CA GLY A 9 40.581 -5.069 -31.199 1.00 0.00 C ATOM 114 C GLY A 9 39.874 -4.010 -32.020 1.00 0.00 C ATOM 115 O GLY A 9 39.372 -4.289 -33.108 1.00 0.00 O ATOM 0 H GLY A 9 42.358 -3.962 -31.316 1.00 0.00 H new ATOM 0 HA2 GLY A 9 40.714 -5.965 -31.805 1.00 0.00 H new ATOM 0 HA3 GLY A 9 39.953 -5.347 -30.353 1.00 0.00 H new ATOM 119 N VAL A 10 39.835 -2.792 -31.496 1.00 0.00 N ATOM 120 CA VAL A 10 39.182 -1.683 -32.185 1.00 0.00 C ATOM 121 C VAL A 10 40.081 -1.108 -33.274 1.00 0.00 C ATOM 122 O VAL A 10 40.930 -0.256 -33.008 1.00 0.00 O ATOM 123 CB VAL A 10 38.799 -0.560 -31.204 1.00 0.00 C ATOM 124 CG1 VAL A 10 37.746 0.349 -31.819 1.00 0.00 C ATOM 125 CG2 VAL A 10 38.307 -1.145 -29.889 1.00 0.00 C ATOM 0 H VAL A 10 40.247 -2.545 -30.596 1.00 0.00 H new ATOM 0 HA VAL A 10 38.275 -2.082 -32.639 1.00 0.00 H new ATOM 0 HB VAL A 10 39.687 0.038 -30.999 1.00 0.00 H new ATOM 0 HG11 VAL A 10 37.487 1.137 -31.112 1.00 0.00 H new ATOM 0 HG12 VAL A 10 38.139 0.796 -32.732 1.00 0.00 H new ATOM 0 HG13 VAL A 10 36.855 -0.233 -32.055 1.00 0.00 H new ATOM 0 HG21 VAL A 10 38.041 -0.337 -29.208 1.00 0.00 H new ATOM 0 HG22 VAL A 10 37.431 -1.768 -30.073 1.00 0.00 H new ATOM 0 HG23 VAL A 10 39.096 -1.751 -29.442 1.00 0.00 H new ATOM 135 N VAL A 11 39.889 -1.580 -34.501 1.00 0.00 N ATOM 136 CA VAL A 11 40.680 -1.116 -35.633 1.00 0.00 C ATOM 137 C VAL A 11 39.976 0.018 -36.371 1.00 0.00 C ATOM 138 O VAL A 11 39.316 -0.202 -37.387 1.00 0.00 O ATOM 139 CB VAL A 11 40.966 -2.258 -36.626 1.00 0.00 C ATOM 140 CG1 VAL A 11 42.002 -1.828 -37.653 1.00 0.00 C ATOM 141 CG2 VAL A 11 41.422 -3.507 -35.888 1.00 0.00 C ATOM 0 H VAL A 11 39.191 -2.285 -34.736 1.00 0.00 H new ATOM 0 HA VAL A 11 41.624 -0.751 -35.228 1.00 0.00 H new ATOM 0 HB VAL A 11 40.042 -2.494 -37.154 1.00 0.00 H new ATOM 0 HG11 VAL A 11 42.190 -2.649 -38.345 1.00 0.00 H new ATOM 0 HG12 VAL A 11 41.630 -0.965 -38.205 1.00 0.00 H new ATOM 0 HG13 VAL A 11 42.929 -1.562 -37.145 1.00 0.00 H new ATOM 0 HG21 VAL A 11 41.619 -4.303 -36.607 1.00 0.00 H new ATOM 0 HG22 VAL A 11 42.333 -3.288 -35.330 1.00 0.00 H new ATOM 0 HG23 VAL A 11 40.642 -3.827 -35.198 1.00 0.00 H new ATOM 151 N TYR A 12 40.127 1.233 -35.854 1.00 0.00 N ATOM 152 CA TYR A 12 39.514 2.409 -36.462 1.00 0.00 C ATOM 153 C TYR A 12 40.006 2.599 -37.890 1.00 0.00 C ATOM 154 O TYR A 12 40.729 1.762 -38.429 1.00 0.00 O ATOM 155 CB TYR A 12 39.839 3.659 -35.643 1.00 0.00 C ATOM 156 CG TYR A 12 39.231 3.659 -34.262 1.00 0.00 C ATOM 157 CD1 TYR A 12 37.868 3.850 -34.083 1.00 0.00 C ATOM 158 CD2 TYR A 12 40.023 3.465 -33.141 1.00 0.00 C ATOM 159 CE1 TYR A 12 37.309 3.845 -32.818 1.00 0.00 C ATOM 160 CE2 TYR A 12 39.474 3.459 -31.872 1.00 0.00 C ATOM 161 CZ TYR A 12 38.116 3.649 -31.716 1.00 0.00 C ATOM 162 OH TYR A 12 37.564 3.641 -30.457 1.00 0.00 O ATOM 0 H TYR A 12 40.670 1.429 -35.013 1.00 0.00 H new ATOM 0 HA TYR A 12 38.435 2.255 -36.478 1.00 0.00 H new ATOM 0 HB2 TYR A 12 40.921 3.751 -35.553 1.00 0.00 H new ATOM 0 HB3 TYR A 12 39.488 4.538 -36.184 1.00 0.00 H new ATOM 0 HD1 TYR A 12 37.235 4.005 -34.944 1.00 0.00 H new ATOM 0 HD2 TYR A 12 41.086 3.316 -33.261 1.00 0.00 H new ATOM 0 HE1 TYR A 12 36.247 3.994 -32.693 1.00 0.00 H new ATOM 0 HE2 TYR A 12 40.104 3.307 -31.008 1.00 0.00 H new ATOM 0 HH TYR A 12 37.999 4.324 -29.905 1.00 0.00 H new ATOM 172 N SER A 13 39.619 3.718 -38.492 1.00 0.00 N ATOM 173 CA SER A 13 40.028 4.037 -39.851 1.00 0.00 C ATOM 174 C SER A 13 40.365 5.519 -39.966 1.00 0.00 C ATOM 175 O SER A 13 39.556 6.371 -39.605 1.00 0.00 O ATOM 176 CB SER A 13 38.925 3.670 -40.844 1.00 0.00 C ATOM 177 OG SER A 13 39.036 2.316 -41.250 1.00 0.00 O ATOM 0 H SER A 13 39.021 4.420 -38.057 1.00 0.00 H new ATOM 0 HA SER A 13 40.917 3.453 -40.089 1.00 0.00 H new ATOM 0 HB2 SER A 13 37.949 3.838 -40.388 1.00 0.00 H new ATOM 0 HB3 SER A 13 38.985 4.321 -41.716 1.00 0.00 H new ATOM 0 HG SER A 13 38.319 2.105 -41.884 1.00 0.00 H new ATOM 183 N VAL A 14 41.570 5.807 -40.460 1.00 0.00 N ATOM 184 CA VAL A 14 42.045 7.181 -40.620 1.00 0.00 C ATOM 185 C VAL A 14 40.893 8.169 -40.774 1.00 0.00 C ATOM 186 O VAL A 14 40.494 8.506 -41.889 1.00 0.00 O ATOM 187 CB VAL A 14 42.978 7.310 -41.837 1.00 0.00 C ATOM 188 CG1 VAL A 14 42.322 6.727 -43.079 1.00 0.00 C ATOM 189 CG2 VAL A 14 43.367 8.764 -42.062 1.00 0.00 C ATOM 0 H VAL A 14 42.240 5.099 -40.759 1.00 0.00 H new ATOM 0 HA VAL A 14 42.595 7.423 -39.711 1.00 0.00 H new ATOM 0 HB VAL A 14 43.887 6.743 -41.635 1.00 0.00 H new ATOM 0 HG11 VAL A 14 42.997 6.828 -43.929 1.00 0.00 H new ATOM 0 HG12 VAL A 14 42.102 5.672 -42.913 1.00 0.00 H new ATOM 0 HG13 VAL A 14 41.396 7.262 -43.287 1.00 0.00 H new ATOM 0 HG21 VAL A 14 44.027 8.834 -42.927 1.00 0.00 H new ATOM 0 HG22 VAL A 14 42.470 9.357 -42.241 1.00 0.00 H new ATOM 0 HG23 VAL A 14 43.883 9.143 -41.180 1.00 0.00 H new ATOM 199 N GLY A 15 40.367 8.632 -39.644 1.00 0.00 N ATOM 200 CA GLY A 15 39.268 9.580 -39.669 1.00 0.00 C ATOM 201 C GLY A 15 38.084 9.132 -38.831 1.00 0.00 C ATOM 202 O GLY A 15 36.955 9.564 -39.065 1.00 0.00 O ATOM 0 H GLY A 15 40.683 8.367 -38.711 1.00 0.00 H new ATOM 0 HA2 GLY A 15 39.619 10.546 -39.306 1.00 0.00 H new ATOM 0 HA3 GLY A 15 38.943 9.726 -40.699 1.00 0.00 H new ATOM 206 N MET A 16 38.336 8.265 -37.853 1.00 0.00 N ATOM 207 CA MET A 16 37.274 7.767 -36.986 1.00 0.00 C ATOM 208 C MET A 16 37.595 8.034 -35.518 1.00 0.00 C ATOM 209 O MET A 16 38.433 7.358 -34.922 1.00 0.00 O ATOM 210 CB MET A 16 37.066 6.268 -37.210 1.00 0.00 C ATOM 211 CG MET A 16 35.616 5.887 -37.456 1.00 0.00 C ATOM 212 SD MET A 16 34.929 4.877 -36.130 1.00 0.00 S ATOM 213 CE MET A 16 35.248 3.231 -36.757 1.00 0.00 C ATOM 0 H MET A 16 39.263 7.895 -37.643 1.00 0.00 H new ATOM 0 HA MET A 16 36.356 8.297 -37.239 1.00 0.00 H new ATOM 0 HB2 MET A 16 37.667 5.949 -38.062 1.00 0.00 H new ATOM 0 HB3 MET A 16 37.434 5.724 -36.340 1.00 0.00 H new ATOM 0 HG2 MET A 16 35.020 6.793 -37.564 1.00 0.00 H new ATOM 0 HG3 MET A 16 35.542 5.343 -38.398 1.00 0.00 H new ATOM 0 HE1 MET A 16 34.943 2.493 -36.014 1.00 0.00 H new ATOM 0 HE2 MET A 16 34.683 3.076 -37.676 1.00 0.00 H new ATOM 0 HE3 MET A 16 36.313 3.120 -36.963 1.00 0.00 H new ATOM 223 N GLN A 17 36.917 9.021 -34.939 1.00 0.00 N ATOM 224 CA GLN A 17 37.125 9.375 -33.540 1.00 0.00 C ATOM 225 C GLN A 17 36.418 8.383 -32.623 1.00 0.00 C ATOM 226 O GLN A 17 35.674 7.518 -33.086 1.00 0.00 O ATOM 227 CB GLN A 17 36.614 10.791 -33.271 1.00 0.00 C ATOM 228 CG GLN A 17 36.980 11.785 -34.362 1.00 0.00 C ATOM 229 CD GLN A 17 36.406 13.166 -34.111 1.00 0.00 C ATOM 230 OE1 GLN A 17 37.087 14.176 -34.292 1.00 0.00 O ATOM 231 NE2 GLN A 17 35.148 13.217 -33.690 1.00 0.00 N ATOM 0 H GLN A 17 36.219 9.590 -35.418 1.00 0.00 H new ATOM 0 HA GLN A 17 38.194 9.338 -33.333 1.00 0.00 H new ATOM 0 HB2 GLN A 17 35.530 10.763 -33.165 1.00 0.00 H new ATOM 0 HB3 GLN A 17 37.019 11.141 -32.321 1.00 0.00 H new ATOM 0 HG2 GLN A 17 38.065 11.855 -34.435 1.00 0.00 H new ATOM 0 HG3 GLN A 17 36.619 11.415 -35.321 1.00 0.00 H new ATOM 0 HE21 GLN A 17 34.621 12.355 -33.553 1.00 0.00 H new ATOM 0 HE22 GLN A 17 34.709 14.118 -33.503 1.00 0.00 H new ATOM 240 N TRP A 18 36.653 8.508 -31.320 1.00 0.00 N ATOM 241 CA TRP A 18 36.033 7.613 -30.348 1.00 0.00 C ATOM 242 C TRP A 18 36.236 8.114 -28.921 1.00 0.00 C ATOM 243 O TRP A 18 36.717 9.226 -28.699 1.00 0.00 O ATOM 244 CB TRP A 18 36.610 6.207 -30.486 1.00 0.00 C ATOM 245 CG TRP A 18 38.060 6.140 -30.132 1.00 0.00 C ATOM 246 CD1 TRP A 18 38.593 6.025 -28.883 1.00 0.00 C ATOM 247 CD2 TRP A 18 39.165 6.199 -31.039 1.00 0.00 C ATOM 248 NE1 TRP A 18 39.960 6.003 -28.955 1.00 0.00 N ATOM 249 CE2 TRP A 18 40.339 6.111 -30.270 1.00 0.00 C ATOM 250 CE3 TRP A 18 39.276 6.315 -32.428 1.00 0.00 C ATOM 251 CZ2 TRP A 18 41.609 6.138 -30.843 1.00 0.00 C ATOM 252 CZ3 TRP A 18 40.534 6.341 -32.996 1.00 0.00 C ATOM 253 CH2 TRP A 18 41.687 6.253 -32.204 1.00 0.00 C ATOM 0 H TRP A 18 37.265 9.216 -30.914 1.00 0.00 H new ATOM 0 HA TRP A 18 34.963 7.590 -30.552 1.00 0.00 H new ATOM 0 HB2 TRP A 18 36.052 5.525 -29.844 1.00 0.00 H new ATOM 0 HB3 TRP A 18 36.474 5.862 -31.511 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.020 5.961 -27.970 1.00 0.00 H new ATOM 0 HE1 TRP A 18 40.594 5.920 -28.160 1.00 0.00 H new ATOM 0 HE3 TRP A 18 38.393 6.383 -33.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 42.499 6.071 -30.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 40.631 6.431 -34.068 1.00 0.00 H new ATOM 0 HH2 TRP A 18 42.657 6.276 -32.678 1.00 0.00 H new ATOM 264 N LEU A 19 35.866 7.274 -27.958 1.00 0.00 N ATOM 265 CA LEU A 19 35.997 7.609 -26.545 1.00 0.00 C ATOM 266 C LEU A 19 37.012 6.696 -25.868 1.00 0.00 C ATOM 267 O LEU A 19 36.761 5.505 -25.686 1.00 0.00 O ATOM 268 CB LEU A 19 34.646 7.482 -25.833 1.00 0.00 C ATOM 269 CG LEU A 19 33.490 8.275 -26.451 1.00 0.00 C ATOM 270 CD1 LEU A 19 33.762 9.768 -26.380 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.252 7.840 -27.889 1.00 0.00 C ATOM 0 H LEU A 19 35.471 6.350 -28.134 1.00 0.00 H new ATOM 0 HA LEU A 19 36.343 8.641 -26.477 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.367 6.429 -25.809 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.770 7.803 -24.799 1.00 0.00 H new ATOM 0 HG LEU A 19 32.588 8.067 -25.876 1.00 0.00 H new ATOM 0 HD11 LEU A 19 32.928 10.311 -26.825 1.00 0.00 H new ATOM 0 HD12 LEU A 19 33.876 10.068 -25.338 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.677 9.998 -26.926 1.00 0.00 H new ATOM 0 HD21 LEU A 19 32.427 8.414 -28.311 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.154 8.015 -28.476 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.004 6.779 -27.912 1.00 0.00 H new ATOM 283 N LYS A 20 38.156 7.254 -25.496 1.00 0.00 N ATOM 284 CA LYS A 20 39.200 6.478 -24.839 1.00 0.00 C ATOM 285 C LYS A 20 39.168 6.687 -23.328 1.00 0.00 C ATOM 286 O LYS A 20 38.591 7.657 -22.837 1.00 0.00 O ATOM 287 CB LYS A 20 40.572 6.861 -25.390 1.00 0.00 C ATOM 288 CG LYS A 20 41.130 8.139 -24.790 1.00 0.00 C ATOM 289 CD LYS A 20 42.509 8.452 -25.340 1.00 0.00 C ATOM 290 CE LYS A 20 43.604 7.953 -24.410 1.00 0.00 C ATOM 291 NZ LYS A 20 44.527 7.005 -25.093 1.00 0.00 N ATOM 0 H LYS A 20 38.385 8.238 -25.637 1.00 0.00 H new ATOM 0 HA LYS A 20 39.016 5.423 -25.044 1.00 0.00 H new ATOM 0 HB2 LYS A 20 41.271 6.046 -25.202 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.501 6.977 -26.471 1.00 0.00 H new ATOM 0 HG2 LYS A 20 40.455 8.968 -25.003 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.183 8.041 -23.706 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.624 7.991 -26.321 1.00 0.00 H new ATOM 0 HD3 LYS A 20 42.611 9.528 -25.480 1.00 0.00 H new ATOM 0 HE2 LYS A 20 44.172 8.802 -24.031 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.152 7.462 -23.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 45.258 6.689 -24.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 43.990 6.182 -25.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.979 7.481 -25.900 1.00 0.00 H new ATOM 379 N GLN A 26 38.188 9.818 -18.469 1.00 0.00 N ATOM 380 CA GLN A 26 37.849 9.674 -19.881 1.00 0.00 C ATOM 381 C GLN A 26 38.695 10.605 -20.745 1.00 0.00 C ATOM 382 O GLN A 26 39.448 11.432 -20.232 1.00 0.00 O ATOM 383 CB GLN A 26 36.364 9.965 -20.102 1.00 0.00 C ATOM 384 CG GLN A 26 35.585 8.774 -20.638 1.00 0.00 C ATOM 385 CD GLN A 26 34.116 9.085 -20.849 1.00 0.00 C ATOM 386 OE1 GLN A 26 33.260 8.646 -20.080 1.00 0.00 O ATOM 387 NE2 GLN A 26 33.817 9.846 -21.895 1.00 0.00 N ATOM 0 HA GLN A 26 38.060 8.646 -20.175 1.00 0.00 H new ATOM 0 HB2 GLN A 26 35.920 10.284 -19.159 1.00 0.00 H new ATOM 0 HB3 GLN A 26 36.265 10.797 -20.799 1.00 0.00 H new ATOM 0 HG2 GLN A 26 36.024 8.453 -21.583 1.00 0.00 H new ATOM 0 HG3 GLN A 26 35.680 7.940 -19.943 1.00 0.00 H new ATOM 0 HE21 GLN A 26 34.559 10.188 -22.506 1.00 0.00 H new ATOM 0 HE22 GLN A 26 32.845 10.089 -22.088 1.00 0.00 H new ATOM 396 N MET A 27 38.565 10.459 -22.059 1.00 0.00 N ATOM 397 CA MET A 27 39.316 11.282 -23.001 1.00 0.00 C ATOM 398 C MET A 27 38.885 10.991 -24.433 1.00 0.00 C ATOM 399 O MET A 27 38.591 9.847 -24.782 1.00 0.00 O ATOM 400 CB MET A 27 40.815 11.026 -22.844 1.00 0.00 C ATOM 401 CG MET A 27 41.631 12.291 -22.640 1.00 0.00 C ATOM 402 SD MET A 27 43.384 12.053 -22.989 1.00 0.00 S ATOM 403 CE MET A 27 44.113 12.612 -21.451 1.00 0.00 C ATOM 0 H MET A 27 37.946 9.777 -22.497 1.00 0.00 H new ATOM 0 HA MET A 27 39.108 12.330 -22.783 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.974 10.360 -21.996 1.00 0.00 H new ATOM 0 HB3 MET A 27 41.181 10.507 -23.730 1.00 0.00 H new ATOM 0 HG2 MET A 27 41.240 13.078 -23.285 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.513 12.633 -21.612 1.00 0.00 H new ATOM 0 HE1 MET A 27 45.198 12.526 -21.510 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.840 13.653 -21.276 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.745 11.998 -20.629 1.00 0.00 H new ATOM 413 N LEU A 28 38.853 12.029 -25.260 1.00 0.00 N ATOM 414 CA LEU A 28 38.462 11.875 -26.657 1.00 0.00 C ATOM 415 C LEU A 28 39.685 11.590 -27.518 1.00 0.00 C ATOM 416 O LEU A 28 40.639 12.367 -27.528 1.00 0.00 O ATOM 417 CB LEU A 28 37.754 13.135 -27.153 1.00 0.00 C ATOM 418 CG LEU A 28 36.876 12.930 -28.385 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.404 12.982 -28.005 1.00 0.00 C ATOM 420 CD2 LEU A 28 37.194 13.974 -29.445 1.00 0.00 C ATOM 0 H LEU A 28 39.092 12.983 -24.990 1.00 0.00 H new ATOM 0 HA LEU A 28 37.773 11.033 -26.733 1.00 0.00 H new ATOM 0 HB2 LEU A 28 37.137 13.530 -26.346 1.00 0.00 H new ATOM 0 HB3 LEU A 28 38.505 13.892 -27.381 1.00 0.00 H new ATOM 0 HG LEU A 28 37.088 11.945 -28.800 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.793 12.834 -28.895 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.187 12.196 -27.281 1.00 0.00 H new ATOM 0 HD13 LEU A 28 35.176 13.953 -27.566 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.559 13.813 -30.316 1.00 0.00 H new ATOM 0 HD22 LEU A 28 37.011 14.970 -29.041 1.00 0.00 H new ATOM 0 HD23 LEU A 28 38.240 13.888 -29.738 1.00 0.00 H new ATOM 432 N CYS A 29 39.664 10.469 -28.232 1.00 0.00 N ATOM 433 CA CYS A 29 40.791 10.098 -29.080 1.00 0.00 C ATOM 434 C CYS A 29 40.384 9.960 -30.539 1.00 0.00 C ATOM 435 O CYS A 29 39.353 9.370 -30.861 1.00 0.00 O ATOM 436 CB CYS A 29 41.431 8.802 -28.584 1.00 0.00 C ATOM 437 SG CYS A 29 43.161 8.585 -29.115 1.00 0.00 S ATOM 0 H CYS A 29 38.887 9.808 -28.241 1.00 0.00 H new ATOM 0 HA CYS A 29 41.523 10.904 -29.017 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.390 8.781 -27.495 1.00 0.00 H new ATOM 0 HB3 CYS A 29 40.842 7.957 -28.942 1.00 0.00 H new ATOM 442 N THR A 30 41.215 10.514 -31.414 1.00 0.00 N ATOM 443 CA THR A 30 40.969 10.467 -32.851 1.00 0.00 C ATOM 444 C THR A 30 42.217 10.014 -33.602 1.00 0.00 C ATOM 445 O THR A 30 43.339 10.216 -33.138 1.00 0.00 O ATOM 446 CB THR A 30 40.535 11.841 -33.396 1.00 0.00 C ATOM 447 OG1 THR A 30 39.313 12.254 -32.774 1.00 0.00 O ATOM 448 CG2 THR A 30 40.350 11.791 -34.906 1.00 0.00 C ATOM 0 H THR A 30 42.070 11.004 -31.152 1.00 0.00 H new ATOM 0 HA THR A 30 40.163 9.750 -33.010 1.00 0.00 H new ATOM 0 HB THR A 30 41.320 12.561 -33.165 1.00 0.00 H new ATOM 0 HG1 THR A 30 39.130 13.189 -33.002 1.00 0.00 H new ATOM 0 HG21 THR A 30 40.044 12.773 -35.268 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.290 11.507 -35.379 1.00 0.00 H new ATOM 0 HG23 THR A 30 39.583 11.057 -35.155 1.00 0.00 H new ATOM 456 N CYS A 31 42.016 9.404 -34.765 1.00 0.00 N ATOM 457 CA CYS A 31 43.131 8.929 -35.575 1.00 0.00 C ATOM 458 C CYS A 31 43.236 9.717 -36.877 1.00 0.00 C ATOM 459 O CYS A 31 42.555 9.412 -37.857 1.00 0.00 O ATOM 460 CB CYS A 31 42.982 7.438 -35.873 1.00 0.00 C ATOM 461 SG CYS A 31 41.476 7.004 -36.796 1.00 0.00 S ATOM 0 H CYS A 31 41.095 9.227 -35.166 1.00 0.00 H new ATOM 0 HA CYS A 31 44.048 9.083 -35.006 1.00 0.00 H new ATOM 0 HB2 CYS A 31 43.851 7.105 -36.441 1.00 0.00 H new ATOM 0 HB3 CYS A 31 42.987 6.889 -34.931 1.00 0.00 H new ATOM 466 N LEU A 32 44.094 10.731 -36.877 1.00 0.00 N ATOM 467 CA LEU A 32 44.295 11.566 -38.051 1.00 0.00 C ATOM 468 C LEU A 32 45.243 10.878 -39.037 1.00 0.00 C ATOM 469 O LEU A 32 45.433 9.664 -38.976 1.00 0.00 O ATOM 470 CB LEU A 32 44.847 12.924 -37.613 1.00 0.00 C ATOM 471 CG LEU A 32 45.953 12.846 -36.565 1.00 0.00 C ATOM 472 CD1 LEU A 32 47.077 13.805 -36.906 1.00 0.00 C ATOM 473 CD2 LEU A 32 45.396 13.142 -35.180 1.00 0.00 C ATOM 0 H LEU A 32 44.663 10.994 -36.072 1.00 0.00 H new ATOM 0 HA LEU A 32 43.343 11.720 -38.559 1.00 0.00 H new ATOM 0 HB2 LEU A 32 45.230 13.447 -38.489 1.00 0.00 H new ATOM 0 HB3 LEU A 32 44.029 13.524 -37.216 1.00 0.00 H new ATOM 0 HG LEU A 32 46.356 11.833 -36.563 1.00 0.00 H new ATOM 0 HD11 LEU A 32 47.857 13.736 -36.148 1.00 0.00 H new ATOM 0 HD12 LEU A 32 47.493 13.546 -37.880 1.00 0.00 H new ATOM 0 HD13 LEU A 32 46.690 14.823 -36.936 1.00 0.00 H new ATOM 0 HD21 LEU A 32 46.198 13.082 -34.445 1.00 0.00 H new ATOM 0 HD22 LEU A 32 44.966 14.144 -35.167 1.00 0.00 H new ATOM 0 HD23 LEU A 32 44.624 12.413 -34.935 1.00 0.00 H new ATOM 485 N GLY A 33 45.830 11.650 -39.948 1.00 0.00 N ATOM 486 CA GLY A 33 46.737 11.081 -40.927 1.00 0.00 C ATOM 487 C GLY A 33 48.108 10.767 -40.358 1.00 0.00 C ATOM 488 O GLY A 33 48.757 9.813 -40.782 1.00 0.00 O ATOM 0 H GLY A 33 45.693 12.658 -40.025 1.00 0.00 H new ATOM 0 HA2 GLY A 33 46.300 10.168 -41.330 1.00 0.00 H new ATOM 0 HA3 GLY A 33 46.846 11.776 -41.759 1.00 0.00 H new ATOM 492 N ASN A 34 48.552 11.574 -39.400 1.00 0.00 N ATOM 493 CA ASN A 34 49.860 11.373 -38.782 1.00 0.00 C ATOM 494 C ASN A 34 49.830 10.201 -37.803 1.00 0.00 C ATOM 495 O ASN A 34 50.863 9.596 -37.514 1.00 0.00 O ATOM 496 CB ASN A 34 50.317 12.658 -38.075 1.00 0.00 C ATOM 497 CG ASN A 34 49.980 12.680 -36.595 1.00 0.00 C ATOM 498 OD1 ASN A 34 48.949 12.155 -36.173 1.00 0.00 O ATOM 499 ND2 ASN A 34 50.851 13.289 -35.799 1.00 0.00 N ATOM 0 H ASN A 34 48.029 12.370 -39.035 1.00 0.00 H new ATOM 0 HA ASN A 34 50.576 11.133 -39.568 1.00 0.00 H new ATOM 0 HB2 ASN A 34 51.395 12.768 -38.197 1.00 0.00 H new ATOM 0 HB3 ASN A 34 49.852 13.516 -38.560 1.00 0.00 H new ATOM 0 HD21 ASN A 34 50.678 13.335 -34.795 1.00 0.00 H new ATOM 0 HD22 ASN A 34 51.693 13.711 -36.192 1.00 0.00 H new ATOM 506 N GLY A 35 48.643 9.888 -37.294 1.00 0.00 N ATOM 507 CA GLY A 35 48.505 8.792 -36.353 1.00 0.00 C ATOM 508 C GLY A 35 47.242 8.897 -35.522 1.00 0.00 C ATOM 509 O GLY A 35 46.136 8.893 -36.061 1.00 0.00 O ATOM 0 H GLY A 35 47.774 10.374 -37.516 1.00 0.00 H new ATOM 0 HA2 GLY A 35 48.500 7.848 -36.898 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.371 8.774 -35.691 1.00 0.00 H new ATOM 513 N VAL A 36 47.407 8.993 -34.207 1.00 0.00 N ATOM 514 CA VAL A 36 46.268 9.101 -33.304 1.00 0.00 C ATOM 515 C VAL A 36 46.548 10.102 -32.183 1.00 0.00 C ATOM 516 O VAL A 36 47.571 10.024 -31.503 1.00 0.00 O ATOM 517 CB VAL A 36 45.885 7.717 -32.715 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.347 7.829 -31.292 1.00 0.00 C ATOM 519 CG2 VAL A 36 44.869 7.033 -33.613 1.00 0.00 C ATOM 0 H VAL A 36 48.316 8.998 -33.744 1.00 0.00 H new ATOM 0 HA VAL A 36 45.422 9.468 -33.885 1.00 0.00 H new ATOM 0 HB VAL A 36 46.792 7.114 -32.671 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.092 6.837 -30.920 1.00 0.00 H new ATOM 0 HG12 VAL A 36 46.107 8.273 -30.649 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.457 8.458 -31.288 1.00 0.00 H new ATOM 0 HG21 VAL A 36 44.606 6.063 -33.192 1.00 0.00 H new ATOM 0 HG22 VAL A 36 43.974 7.651 -33.687 1.00 0.00 H new ATOM 0 HG23 VAL A 36 45.296 6.894 -34.606 1.00 0.00 H new ATOM 529 N SER A 37 45.621 11.037 -31.999 1.00 0.00 N ATOM 530 CA SER A 37 45.748 12.058 -30.965 1.00 0.00 C ATOM 531 C SER A 37 44.443 12.193 -30.189 1.00 0.00 C ATOM 532 O SER A 37 43.373 12.343 -30.778 1.00 0.00 O ATOM 533 CB SER A 37 46.128 13.402 -31.588 1.00 0.00 C ATOM 534 OG SER A 37 46.970 14.145 -30.724 1.00 0.00 O ATOM 0 H SER A 37 44.769 11.108 -32.556 1.00 0.00 H new ATOM 0 HA SER A 37 46.536 11.755 -30.276 1.00 0.00 H new ATOM 0 HB2 SER A 37 46.634 13.235 -32.539 1.00 0.00 H new ATOM 0 HB3 SER A 37 45.226 13.975 -31.803 1.00 0.00 H new ATOM 0 HG SER A 37 47.200 14.999 -31.146 1.00 0.00 H new ATOM 540 N CYS A 38 44.535 12.130 -28.865 1.00 0.00 N ATOM 541 CA CYS A 38 43.355 12.237 -28.016 1.00 0.00 C ATOM 542 C CYS A 38 43.453 13.438 -27.085 1.00 0.00 C ATOM 543 O CYS A 38 44.522 13.750 -26.562 1.00 0.00 O ATOM 544 CB CYS A 38 43.169 10.956 -27.199 1.00 0.00 C ATOM 545 SG CYS A 38 44.242 9.570 -27.705 1.00 0.00 S ATOM 0 H CYS A 38 45.411 12.006 -28.358 1.00 0.00 H new ATOM 0 HA CYS A 38 42.489 12.377 -28.663 1.00 0.00 H new ATOM 0 HB2 CYS A 38 43.358 11.180 -26.149 1.00 0.00 H new ATOM 0 HB3 CYS A 38 42.129 10.640 -27.276 1.00 0.00 H new ATOM 550 N GLN A 39 42.323 14.107 -26.882 1.00 0.00 N ATOM 551 CA GLN A 39 42.268 15.274 -26.015 1.00 0.00 C ATOM 552 C GLN A 39 41.280 15.051 -24.877 1.00 0.00 C ATOM 553 O GLN A 39 40.222 14.451 -25.073 1.00 0.00 O ATOM 554 CB GLN A 39 41.873 16.513 -26.821 1.00 0.00 C ATOM 555 CG GLN A 39 42.081 17.819 -26.072 1.00 0.00 C ATOM 556 CD GLN A 39 40.923 18.154 -25.151 1.00 0.00 C ATOM 557 OE1 GLN A 39 41.120 18.466 -23.977 1.00 0.00 O ATOM 558 NE2 GLN A 39 39.708 18.090 -25.682 1.00 0.00 N ATOM 0 H GLN A 39 41.431 13.858 -27.309 1.00 0.00 H new ATOM 0 HA GLN A 39 43.258 15.432 -25.587 1.00 0.00 H new ATOM 0 HB2 GLN A 39 42.454 16.536 -27.743 1.00 0.00 H new ATOM 0 HB3 GLN A 39 40.824 16.431 -27.107 1.00 0.00 H new ATOM 0 HG2 GLN A 39 42.999 17.756 -25.487 1.00 0.00 H new ATOM 0 HG3 GLN A 39 42.215 18.628 -26.790 1.00 0.00 H new ATOM 0 HE21 GLN A 39 39.592 17.827 -26.661 1.00 0.00 H new ATOM 0 HE22 GLN A 39 38.890 18.304 -25.111 1.00 0.00 H new ATOM 636 N GLN A 45 29.741 17.714 -15.574 1.00 0.00 N ATOM 637 CA GLN A 45 29.072 17.825 -14.285 1.00 0.00 C ATOM 638 C GLN A 45 27.561 17.713 -14.451 1.00 0.00 C ATOM 639 O GLN A 45 27.056 17.599 -15.568 1.00 0.00 O ATOM 640 CB GLN A 45 29.427 19.152 -13.611 1.00 0.00 C ATOM 641 CG GLN A 45 30.876 19.566 -13.805 1.00 0.00 C ATOM 642 CD GLN A 45 31.848 18.650 -13.086 1.00 0.00 C ATOM 643 OE1 GLN A 45 31.448 17.660 -12.473 1.00 0.00 O ATOM 644 NE2 GLN A 45 33.133 18.978 -13.158 1.00 0.00 N ATOM 0 HA GLN A 45 29.415 17.006 -13.653 1.00 0.00 H new ATOM 0 HB2 GLN A 45 28.779 19.935 -14.005 1.00 0.00 H new ATOM 0 HB3 GLN A 45 29.220 19.074 -12.544 1.00 0.00 H new ATOM 0 HG2 GLN A 45 31.108 19.572 -14.870 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.010 20.586 -13.444 1.00 0.00 H new ATOM 0 HE21 GLN A 45 33.419 19.808 -13.677 1.00 0.00 H new ATOM 0 HE22 GLN A 45 33.834 18.400 -12.694 1.00 0.00 H new ATOM 653 N THR A 46 26.842 17.744 -13.334 1.00 0.00 N ATOM 654 CA THR A 46 25.388 17.642 -13.362 1.00 0.00 C ATOM 655 C THR A 46 24.767 18.252 -12.111 1.00 0.00 C ATOM 656 O THR A 46 25.402 18.315 -11.057 1.00 0.00 O ATOM 657 CB THR A 46 24.930 16.178 -13.487 1.00 0.00 C ATOM 658 OG1 THR A 46 25.282 15.450 -12.303 1.00 0.00 O ATOM 659 CG2 THR A 46 25.561 15.514 -14.701 1.00 0.00 C ATOM 0 H THR A 46 27.241 17.839 -12.400 1.00 0.00 H new ATOM 0 HA THR A 46 25.051 18.197 -14.237 1.00 0.00 H new ATOM 0 HB THR A 46 23.847 16.170 -13.610 1.00 0.00 H new ATOM 0 HG1 THR A 46 25.742 14.622 -12.553 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.222 14.480 -14.768 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.268 16.051 -15.603 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.646 15.534 -14.604 1.00 0.00 H new ATOM 667 N TYR A 47 23.523 18.698 -12.234 1.00 0.00 N ATOM 668 CA TYR A 47 22.812 19.302 -11.113 1.00 0.00 C ATOM 669 C TYR A 47 21.323 19.427 -11.416 1.00 0.00 C ATOM 670 O TYR A 47 20.933 20.005 -12.430 1.00 0.00 O ATOM 671 CB TYR A 47 23.399 20.678 -10.793 1.00 0.00 C ATOM 672 CG TYR A 47 22.955 21.766 -11.747 1.00 0.00 C ATOM 673 CD1 TYR A 47 23.204 21.665 -13.110 1.00 0.00 C ATOM 674 CD2 TYR A 47 22.290 22.894 -11.283 1.00 0.00 C ATOM 675 CE1 TYR A 47 22.804 22.658 -13.983 1.00 0.00 C ATOM 676 CE2 TYR A 47 21.886 23.890 -12.150 1.00 0.00 C ATOM 677 CZ TYR A 47 22.145 23.768 -13.499 1.00 0.00 C ATOM 678 OH TYR A 47 21.745 24.759 -14.366 1.00 0.00 O ATOM 0 H TYR A 47 22.985 18.653 -13.099 1.00 0.00 H new ATOM 0 HA TYR A 47 22.933 18.653 -10.246 1.00 0.00 H new ATOM 0 HB2 TYR A 47 23.114 20.958 -9.779 1.00 0.00 H new ATOM 0 HB3 TYR A 47 24.487 20.612 -10.812 1.00 0.00 H new ATOM 0 HD1 TYR A 47 23.719 20.796 -13.493 1.00 0.00 H new ATOM 0 HD2 TYR A 47 22.086 22.994 -10.227 1.00 0.00 H new ATOM 0 HE1 TYR A 47 23.007 22.565 -15.040 1.00 0.00 H new ATOM 0 HE2 TYR A 47 21.370 24.761 -11.773 1.00 0.00 H new ATOM 0 HH TYR A 47 21.294 25.470 -13.865 1.00 0.00 H new ATOM 688 N GLY A 48 20.497 18.880 -10.531 1.00 0.00 N ATOM 689 CA GLY A 48 19.060 18.941 -10.723 1.00 0.00 C ATOM 690 C GLY A 48 18.623 18.295 -12.022 1.00 0.00 C ATOM 691 O GLY A 48 18.660 17.072 -12.160 1.00 0.00 O ATOM 0 H GLY A 48 20.797 18.396 -9.685 1.00 0.00 H new ATOM 0 HA2 GLY A 48 18.563 18.445 -9.889 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.739 19.982 -10.712 1.00 0.00 H new ATOM 695 N GLY A 49 18.206 19.119 -12.979 1.00 0.00 N ATOM 696 CA GLY A 49 17.766 18.603 -14.261 1.00 0.00 C ATOM 697 C GLY A 49 16.599 17.645 -14.135 1.00 0.00 C ATOM 698 O GLY A 49 15.595 17.962 -13.495 1.00 0.00 O ATOM 0 H GLY A 49 18.165 20.134 -12.889 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.480 19.435 -14.904 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.598 18.094 -14.748 1.00 0.00 H new ATOM 702 N ASN A 50 16.727 16.472 -14.745 1.00 0.00 N ATOM 703 CA ASN A 50 15.672 15.468 -14.699 1.00 0.00 C ATOM 704 C ASN A 50 16.093 14.271 -13.851 1.00 0.00 C ATOM 705 O ASN A 50 15.251 13.548 -13.318 1.00 0.00 O ATOM 706 CB ASN A 50 15.318 15.004 -16.113 1.00 0.00 C ATOM 707 CG ASN A 50 13.823 14.867 -16.320 1.00 0.00 C ATOM 708 OD1 ASN A 50 13.160 14.084 -15.640 1.00 0.00 O ATOM 709 ND2 ASN A 50 13.284 15.630 -17.264 1.00 0.00 N ATOM 0 H ASN A 50 17.551 16.193 -15.277 1.00 0.00 H new ATOM 0 HA ASN A 50 14.794 15.924 -14.242 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.718 15.714 -16.836 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.798 14.045 -16.309 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.282 15.581 -17.449 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.872 16.265 -17.804 1.00 0.00 H new ATOM 716 N SER A 51 17.401 14.067 -13.730 1.00 0.00 N ATOM 717 CA SER A 51 17.931 12.956 -12.946 1.00 0.00 C ATOM 718 C SER A 51 18.856 13.458 -11.841 1.00 0.00 C ATOM 719 O SER A 51 19.684 12.708 -11.326 1.00 0.00 O ATOM 720 CB SER A 51 18.684 11.980 -13.852 1.00 0.00 C ATOM 721 OG SER A 51 18.854 10.723 -13.219 1.00 0.00 O ATOM 0 H SER A 51 18.113 14.655 -14.164 1.00 0.00 H new ATOM 0 HA SER A 51 17.091 12.439 -12.483 1.00 0.00 H new ATOM 0 HB2 SER A 51 18.137 11.849 -14.785 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.658 12.396 -14.109 1.00 0.00 H new ATOM 0 HG SER A 51 19.191 10.858 -12.309 1.00 0.00 H new ATOM 727 N ASN A 52 18.710 14.732 -11.486 1.00 0.00 N ATOM 728 CA ASN A 52 19.528 15.346 -10.443 1.00 0.00 C ATOM 729 C ASN A 52 20.974 15.500 -10.900 1.00 0.00 C ATOM 730 O ASN A 52 21.525 16.601 -10.894 1.00 0.00 O ATOM 731 CB ASN A 52 19.470 14.521 -9.154 1.00 0.00 C ATOM 732 CG ASN A 52 20.580 14.879 -8.186 1.00 0.00 C ATOM 733 OD1 ASN A 52 21.215 15.927 -8.312 1.00 0.00 O ATOM 734 ND2 ASN A 52 20.822 14.009 -7.214 1.00 0.00 N ATOM 0 H ASN A 52 18.029 15.363 -11.908 1.00 0.00 H new ATOM 0 HA ASN A 52 19.122 16.338 -10.244 1.00 0.00 H new ATOM 0 HB2 ASN A 52 18.506 14.676 -8.670 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.535 13.461 -9.401 1.00 0.00 H new ATOM 0 HD21 ASN A 52 21.559 14.196 -6.534 1.00 0.00 H new ATOM 0 HD22 ASN A 52 20.271 13.153 -7.147 1.00 0.00 H new ATOM 741 N GLY A 53 21.579 14.390 -11.293 1.00 0.00 N ATOM 742 CA GLY A 53 22.957 14.415 -11.748 1.00 0.00 C ATOM 743 C GLY A 53 23.632 13.062 -11.635 1.00 0.00 C ATOM 744 O GLY A 53 24.319 12.785 -10.651 1.00 0.00 O ATOM 0 H GLY A 53 21.141 13.469 -11.306 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.987 14.747 -12.786 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.516 15.146 -11.163 1.00 0.00 H new ATOM 748 N GLU A 54 23.436 12.218 -12.641 1.00 0.00 N ATOM 749 CA GLU A 54 24.031 10.888 -12.650 1.00 0.00 C ATOM 750 C GLU A 54 25.053 10.755 -13.775 1.00 0.00 C ATOM 751 O GLU A 54 25.136 11.608 -14.658 1.00 0.00 O ATOM 752 CB GLU A 54 22.946 9.822 -12.800 1.00 0.00 C ATOM 753 CG GLU A 54 22.203 9.534 -11.507 1.00 0.00 C ATOM 754 CD GLU A 54 22.412 8.114 -11.018 1.00 0.00 C ATOM 755 OE1 GLU A 54 22.397 7.189 -11.858 1.00 0.00 O ATOM 756 OE2 GLU A 54 22.594 7.927 -9.797 1.00 0.00 O ATOM 0 H GLU A 54 22.869 12.432 -13.462 1.00 0.00 H new ATOM 0 HA GLU A 54 24.545 10.741 -11.700 1.00 0.00 H new ATOM 0 HB2 GLU A 54 22.231 10.145 -13.557 1.00 0.00 H new ATOM 0 HB3 GLU A 54 23.400 8.900 -13.163 1.00 0.00 H new ATOM 0 HG2 GLU A 54 22.535 10.232 -10.738 1.00 0.00 H new ATOM 0 HG3 GLU A 54 21.138 9.709 -11.658 1.00 0.00 H new ATOM 763 N PRO A 55 25.848 9.675 -13.750 1.00 0.00 N ATOM 764 CA PRO A 55 26.875 9.420 -14.768 1.00 0.00 C ATOM 765 C PRO A 55 26.303 9.416 -16.183 1.00 0.00 C ATOM 766 O PRO A 55 25.519 8.538 -16.542 1.00 0.00 O ATOM 767 CB PRO A 55 27.404 8.030 -14.403 1.00 0.00 C ATOM 768 CG PRO A 55 27.086 7.865 -12.957 1.00 0.00 C ATOM 769 CD PRO A 55 25.806 8.618 -12.727 1.00 0.00 C ATOM 0 HA PRO A 55 27.642 10.195 -14.773 1.00 0.00 H new ATOM 0 HB2 PRO A 55 26.926 7.256 -15.003 1.00 0.00 H new ATOM 0 HB3 PRO A 55 28.477 7.956 -14.582 1.00 0.00 H new ATOM 0 HG2 PRO A 55 26.971 6.812 -12.700 1.00 0.00 H new ATOM 0 HG3 PRO A 55 27.888 8.259 -12.333 1.00 0.00 H new ATOM 0 HD2 PRO A 55 24.934 7.975 -12.848 1.00 0.00 H new ATOM 0 HD3 PRO A 55 25.759 9.034 -11.720 1.00 0.00 H new ATOM 777 N CYS A 56 26.701 10.402 -16.981 1.00 0.00 N ATOM 778 CA CYS A 56 26.228 10.507 -18.357 1.00 0.00 C ATOM 779 C CYS A 56 26.449 9.199 -19.109 1.00 0.00 C ATOM 780 O CYS A 56 26.910 8.213 -18.534 1.00 0.00 O ATOM 781 CB CYS A 56 26.934 11.657 -19.076 1.00 0.00 C ATOM 782 SG CYS A 56 27.024 13.196 -18.106 1.00 0.00 S ATOM 0 H CYS A 56 27.348 11.138 -16.699 1.00 0.00 H new ATOM 0 HA CYS A 56 25.158 10.711 -18.334 1.00 0.00 H new ATOM 0 HB2 CYS A 56 27.945 11.343 -19.335 1.00 0.00 H new ATOM 0 HB3 CYS A 56 26.414 11.860 -20.012 1.00 0.00 H new ATOM 787 N VAL A 57 26.115 9.194 -20.396 1.00 0.00 N ATOM 788 CA VAL A 57 26.275 8.002 -21.219 1.00 0.00 C ATOM 789 C VAL A 57 26.448 8.359 -22.691 1.00 0.00 C ATOM 790 O VAL A 57 25.674 7.919 -23.541 1.00 0.00 O ATOM 791 CB VAL A 57 25.066 7.057 -21.075 1.00 0.00 C ATOM 792 CG1 VAL A 57 23.819 7.686 -21.676 1.00 0.00 C ATOM 793 CG2 VAL A 57 25.359 5.713 -21.726 1.00 0.00 C ATOM 0 H VAL A 57 25.733 10.001 -20.890 1.00 0.00 H new ATOM 0 HA VAL A 57 27.174 7.497 -20.865 1.00 0.00 H new ATOM 0 HB VAL A 57 24.884 6.891 -20.013 1.00 0.00 H new ATOM 0 HG11 VAL A 57 22.977 7.003 -21.564 1.00 0.00 H new ATOM 0 HG12 VAL A 57 23.599 8.621 -21.161 1.00 0.00 H new ATOM 0 HG13 VAL A 57 23.986 7.886 -22.734 1.00 0.00 H new ATOM 0 HG21 VAL A 57 24.494 5.059 -21.615 1.00 0.00 H new ATOM 0 HG22 VAL A 57 25.569 5.860 -22.785 1.00 0.00 H new ATOM 0 HG23 VAL A 57 26.224 5.256 -21.245 1.00 0.00 H new ATOM 803 N LEU A 58 27.470 9.156 -22.989 1.00 0.00 N ATOM 804 CA LEU A 58 27.739 9.563 -24.366 1.00 0.00 C ATOM 805 C LEU A 58 28.948 8.826 -24.934 1.00 0.00 C ATOM 806 O LEU A 58 29.726 8.222 -24.197 1.00 0.00 O ATOM 807 CB LEU A 58 27.973 11.074 -24.455 1.00 0.00 C ATOM 808 CG LEU A 58 28.455 11.740 -23.167 1.00 0.00 C ATOM 809 CD1 LEU A 58 27.362 11.704 -22.115 1.00 0.00 C ATOM 810 CD2 LEU A 58 29.718 11.065 -22.656 1.00 0.00 C ATOM 0 H LEU A 58 28.122 9.531 -22.301 1.00 0.00 H new ATOM 0 HA LEU A 58 26.861 9.304 -24.957 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.706 11.265 -25.239 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.043 11.551 -24.764 1.00 0.00 H new ATOM 0 HG LEU A 58 28.692 12.782 -23.382 1.00 0.00 H new ATOM 0 HD11 LEU A 58 27.719 12.182 -21.203 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.485 12.236 -22.484 1.00 0.00 H new ATOM 0 HD13 LEU A 58 27.096 10.669 -21.902 1.00 0.00 H new ATOM 0 HD21 LEU A 58 30.046 11.553 -21.738 1.00 0.00 H new ATOM 0 HD22 LEU A 58 29.513 10.014 -22.454 1.00 0.00 H new ATOM 0 HD23 LEU A 58 30.502 11.143 -23.409 1.00 0.00 H new ATOM 822 N PRO A 59 29.114 8.872 -26.264 1.00 0.00 N ATOM 823 CA PRO A 59 28.194 9.590 -27.151 1.00 0.00 C ATOM 824 C PRO A 59 26.825 8.928 -27.246 1.00 0.00 C ATOM 825 O PRO A 59 26.717 7.706 -27.337 1.00 0.00 O ATOM 826 CB PRO A 59 28.894 9.544 -28.507 1.00 0.00 C ATOM 827 CG PRO A 59 29.777 8.348 -28.443 1.00 0.00 C ATOM 828 CD PRO A 59 30.216 8.234 -27.009 1.00 0.00 C ATOM 0 HA PRO A 59 27.996 10.598 -26.786 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.174 9.460 -29.321 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.471 10.452 -28.685 1.00 0.00 H new ATOM 0 HG2 PRO A 59 29.244 7.452 -28.760 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.635 8.460 -29.106 1.00 0.00 H new ATOM 0 HD2 PRO A 59 30.353 7.194 -26.712 1.00 0.00 H new ATOM 0 HD3 PRO A 59 31.165 8.742 -26.837 1.00 0.00 H new ATOM 836 N PHE A 60 25.784 9.751 -27.232 1.00 0.00 N ATOM 837 CA PHE A 60 24.416 9.259 -27.326 1.00 0.00 C ATOM 838 C PHE A 60 23.778 9.722 -28.629 1.00 0.00 C ATOM 839 O PHE A 60 24.447 10.294 -29.488 1.00 0.00 O ATOM 840 CB PHE A 60 23.590 9.751 -26.138 1.00 0.00 C ATOM 841 CG PHE A 60 23.792 11.207 -25.835 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.057 12.174 -26.502 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.716 11.608 -24.886 1.00 0.00 C ATOM 844 CE1 PHE A 60 23.243 13.515 -26.227 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.906 12.948 -24.606 1.00 0.00 C ATOM 846 CZ PHE A 60 24.168 13.902 -25.278 1.00 0.00 C ATOM 0 H PHE A 60 25.862 10.765 -27.156 1.00 0.00 H new ATOM 0 HA PHE A 60 24.439 8.169 -27.310 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.534 9.573 -26.340 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.849 9.164 -25.257 1.00 0.00 H new ATOM 0 HD1 PHE A 60 22.331 11.876 -27.244 1.00 0.00 H new ATOM 0 HD2 PHE A 60 25.295 10.865 -24.358 1.00 0.00 H new ATOM 0 HE1 PHE A 60 22.665 14.260 -26.754 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.630 13.248 -23.863 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.314 14.950 -25.061 1.00 0.00 H new ATOM 856 N THR A 61 22.483 9.475 -28.770 1.00 0.00 N ATOM 857 CA THR A 61 21.763 9.874 -29.972 1.00 0.00 C ATOM 858 C THR A 61 20.536 10.707 -29.621 1.00 0.00 C ATOM 859 O THR A 61 19.671 10.268 -28.864 1.00 0.00 O ATOM 860 CB THR A 61 21.321 8.649 -30.794 1.00 0.00 C ATOM 861 OG1 THR A 61 22.016 7.480 -30.344 1.00 0.00 O ATOM 862 CG2 THR A 61 21.592 8.867 -32.276 1.00 0.00 C ATOM 0 H THR A 61 21.911 9.002 -28.070 1.00 0.00 H new ATOM 0 HA THR A 61 22.449 10.474 -30.570 1.00 0.00 H new ATOM 0 HB THR A 61 20.249 8.511 -30.652 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.728 6.705 -30.871 1.00 0.00 H new ATOM 0 HG21 THR A 61 21.272 7.989 -32.837 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.039 9.740 -32.622 1.00 0.00 H new ATOM 0 HG23 THR A 61 22.659 9.028 -32.431 1.00 0.00 H new ATOM 870 N TYR A 62 20.466 11.913 -30.176 1.00 0.00 N ATOM 871 CA TYR A 62 19.342 12.803 -29.918 1.00 0.00 C ATOM 872 C TYR A 62 18.979 13.599 -31.164 1.00 0.00 C ATOM 873 O TYR A 62 19.847 14.167 -31.827 1.00 0.00 O ATOM 874 CB TYR A 62 19.668 13.758 -28.768 1.00 0.00 C ATOM 875 CG TYR A 62 18.539 14.708 -28.441 1.00 0.00 C ATOM 876 CD1 TYR A 62 17.371 14.250 -27.843 1.00 0.00 C ATOM 877 CD2 TYR A 62 18.639 16.062 -28.732 1.00 0.00 C ATOM 878 CE1 TYR A 62 16.336 15.115 -27.545 1.00 0.00 C ATOM 879 CE2 TYR A 62 17.608 16.933 -28.437 1.00 0.00 C ATOM 880 CZ TYR A 62 16.459 16.455 -27.843 1.00 0.00 C ATOM 881 OH TYR A 62 15.429 17.318 -27.547 1.00 0.00 O ATOM 0 H TYR A 62 21.172 12.294 -30.805 1.00 0.00 H new ATOM 0 HA TYR A 62 18.486 12.188 -29.638 1.00 0.00 H new ATOM 0 HB2 TYR A 62 19.912 13.176 -27.880 1.00 0.00 H new ATOM 0 HB3 TYR A 62 20.556 14.335 -29.025 1.00 0.00 H new ATOM 0 HD1 TYR A 62 17.271 13.201 -27.607 1.00 0.00 H new ATOM 0 HD2 TYR A 62 19.538 16.440 -29.197 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.435 14.743 -27.081 1.00 0.00 H new ATOM 0 HE2 TYR A 62 17.701 17.983 -28.671 1.00 0.00 H new ATOM 0 HH TYR A 62 14.942 16.989 -26.762 1.00 0.00 H new ATOM 891 N ASN A 63 17.689 13.637 -31.478 1.00 0.00 N ATOM 892 CA ASN A 63 17.207 14.362 -32.645 1.00 0.00 C ATOM 893 C ASN A 63 17.682 13.700 -33.935 1.00 0.00 C ATOM 894 O ASN A 63 17.481 14.233 -35.026 1.00 0.00 O ATOM 895 CB ASN A 63 17.674 15.817 -32.592 1.00 0.00 C ATOM 896 CG ASN A 63 16.539 16.794 -32.819 1.00 0.00 C ATOM 897 OD1 ASN A 63 16.368 17.319 -33.919 1.00 0.00 O ATOM 898 ND2 ASN A 63 15.758 17.043 -31.775 1.00 0.00 N ATOM 0 H ASN A 63 16.958 13.173 -30.939 1.00 0.00 H new ATOM 0 HA ASN A 63 16.117 14.339 -32.634 1.00 0.00 H new ATOM 0 HB2 ASN A 63 18.132 16.014 -31.623 1.00 0.00 H new ATOM 0 HB3 ASN A 63 18.444 15.977 -33.347 1.00 0.00 H new ATOM 0 HD21 ASN A 63 14.977 17.693 -31.866 1.00 0.00 H new ATOM 0 HD22 ASN A 63 15.938 16.584 -30.882 1.00 0.00 H new ATOM 905 N GLY A 64 18.302 12.531 -33.804 1.00 0.00 N ATOM 906 CA GLY A 64 18.783 11.813 -34.970 1.00 0.00 C ATOM 907 C GLY A 64 20.288 11.898 -35.145 1.00 0.00 C ATOM 908 O GLY A 64 20.846 11.266 -36.041 1.00 0.00 O ATOM 0 H GLY A 64 18.480 12.069 -32.912 1.00 0.00 H new ATOM 0 HA2 GLY A 64 18.492 10.766 -34.890 1.00 0.00 H new ATOM 0 HA3 GLY A 64 18.297 12.212 -35.860 1.00 0.00 H new ATOM 912 N ARG A 65 20.950 12.674 -34.295 1.00 0.00 N ATOM 913 CA ARG A 65 22.398 12.823 -34.378 1.00 0.00 C ATOM 914 C ARG A 65 23.083 12.186 -33.174 1.00 0.00 C ATOM 915 O ARG A 65 22.497 11.353 -32.483 1.00 0.00 O ATOM 916 CB ARG A 65 22.785 14.299 -34.483 1.00 0.00 C ATOM 917 CG ARG A 65 22.610 15.072 -33.187 1.00 0.00 C ATOM 918 CD ARG A 65 22.590 16.572 -33.433 1.00 0.00 C ATOM 919 NE ARG A 65 21.240 17.124 -33.346 1.00 0.00 N ATOM 920 CZ ARG A 65 20.929 18.368 -33.697 1.00 0.00 C ATOM 921 NH1 ARG A 65 21.868 19.182 -34.163 1.00 0.00 N ATOM 922 NH2 ARG A 65 19.681 18.800 -33.587 1.00 0.00 N ATOM 0 H ARG A 65 20.510 13.207 -33.545 1.00 0.00 H new ATOM 0 HA ARG A 65 22.734 12.308 -35.278 1.00 0.00 H new ATOM 0 HB2 ARG A 65 23.825 14.371 -34.800 1.00 0.00 H new ATOM 0 HB3 ARG A 65 22.182 14.769 -35.260 1.00 0.00 H new ATOM 0 HG2 ARG A 65 21.681 14.769 -32.704 1.00 0.00 H new ATOM 0 HG3 ARG A 65 23.421 14.825 -32.502 1.00 0.00 H new ATOM 0 HD2 ARG A 65 23.232 17.067 -32.704 1.00 0.00 H new ATOM 0 HD3 ARG A 65 23.005 16.783 -34.419 1.00 0.00 H new ATOM 0 HE ARG A 65 20.495 16.521 -32.997 1.00 0.00 H new ATOM 0 HH11 ARG A 65 22.829 18.853 -34.252 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.628 20.136 -34.432 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.955 18.177 -33.232 1.00 0.00 H new ATOM 0 HH22 ARG A 65 19.446 19.755 -33.857 1.00 0.00 H new ATOM 936 N THR A 66 24.330 12.579 -32.934 1.00 0.00 N ATOM 937 CA THR A 66 25.097 12.039 -31.818 1.00 0.00 C ATOM 938 C THR A 66 25.924 13.123 -31.135 1.00 0.00 C ATOM 939 O THR A 66 26.349 14.087 -31.771 1.00 0.00 O ATOM 940 CB THR A 66 26.038 10.914 -32.284 1.00 0.00 C ATOM 941 OG1 THR A 66 25.305 9.938 -33.032 1.00 0.00 O ATOM 942 CG2 THR A 66 26.718 10.247 -31.098 1.00 0.00 C ATOM 0 H THR A 66 24.830 13.268 -33.496 1.00 0.00 H new ATOM 0 HA THR A 66 24.376 11.637 -31.106 1.00 0.00 H new ATOM 0 HB THR A 66 26.806 11.356 -32.919 1.00 0.00 H new ATOM 0 HG1 THR A 66 25.912 9.227 -33.326 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.377 9.456 -31.454 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.302 10.987 -30.550 1.00 0.00 H new ATOM 0 HG23 THR A 66 25.963 9.820 -30.438 1.00 0.00 H new ATOM 950 N PHE A 67 26.155 12.952 -29.837 1.00 0.00 N ATOM 951 CA PHE A 67 26.936 13.911 -29.066 1.00 0.00 C ATOM 952 C PHE A 67 27.837 13.195 -28.062 1.00 0.00 C ATOM 953 O PHE A 67 27.352 12.556 -27.128 1.00 0.00 O ATOM 954 CB PHE A 67 26.017 14.885 -28.328 1.00 0.00 C ATOM 955 CG PHE A 67 24.817 15.314 -29.126 1.00 0.00 C ATOM 956 CD1 PHE A 67 23.856 14.393 -29.514 1.00 0.00 C ATOM 957 CD2 PHE A 67 24.648 16.644 -29.478 1.00 0.00 C ATOM 958 CE1 PHE A 67 22.749 14.793 -30.239 1.00 0.00 C ATOM 959 CE2 PHE A 67 23.545 17.047 -30.204 1.00 0.00 C ATOM 960 CZ PHE A 67 22.593 16.122 -30.585 1.00 0.00 C ATOM 0 H PHE A 67 25.812 12.157 -29.297 1.00 0.00 H new ATOM 0 HA PHE A 67 27.560 14.470 -29.763 1.00 0.00 H new ATOM 0 HB2 PHE A 67 25.678 14.419 -27.403 1.00 0.00 H new ATOM 0 HB3 PHE A 67 26.590 15.769 -28.048 1.00 0.00 H new ATOM 0 HD1 PHE A 67 23.973 13.353 -29.247 1.00 0.00 H new ATOM 0 HD2 PHE A 67 25.387 17.373 -29.181 1.00 0.00 H new ATOM 0 HE1 PHE A 67 22.006 14.067 -30.535 1.00 0.00 H new ATOM 0 HE2 PHE A 67 23.427 18.086 -30.474 1.00 0.00 H new ATOM 0 HZ PHE A 67 21.729 16.436 -31.152 1.00 0.00 H new ATOM 970 N TYR A 68 29.147 13.311 -28.258 1.00 0.00 N ATOM 971 CA TYR A 68 30.115 12.679 -27.370 1.00 0.00 C ATOM 972 C TYR A 68 30.102 13.334 -25.992 1.00 0.00 C ATOM 973 O TYR A 68 30.718 12.833 -25.052 1.00 0.00 O ATOM 974 CB TYR A 68 31.522 12.769 -27.970 1.00 0.00 C ATOM 975 CG TYR A 68 31.807 11.735 -29.037 1.00 0.00 C ATOM 976 CD1 TYR A 68 30.902 11.495 -30.063 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.983 10.999 -29.014 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.162 10.547 -31.034 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.251 10.051 -29.982 1.00 0.00 C ATOM 980 CZ TYR A 68 32.336 9.827 -30.989 1.00 0.00 C ATOM 981 OH TYR A 68 32.599 8.883 -31.955 1.00 0.00 O ATOM 0 H TYR A 68 29.563 13.838 -29.026 1.00 0.00 H new ATOM 0 HA TYR A 68 29.836 11.631 -27.259 1.00 0.00 H new ATOM 0 HB2 TYR A 68 31.660 13.763 -28.396 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.254 12.661 -27.170 1.00 0.00 H new ATOM 0 HD1 TYR A 68 29.981 12.058 -30.102 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.701 11.170 -28.226 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.448 10.371 -31.825 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.172 9.488 -29.950 1.00 0.00 H new ATOM 0 HH TYR A 68 33.548 8.640 -31.925 1.00 0.00 H new ATOM 991 N SER A 69 29.402 14.459 -25.879 1.00 0.00 N ATOM 992 CA SER A 69 29.321 15.178 -24.613 1.00 0.00 C ATOM 993 C SER A 69 27.970 15.868 -24.455 1.00 0.00 C ATOM 994 O SER A 69 27.063 15.677 -25.266 1.00 0.00 O ATOM 995 CB SER A 69 30.444 16.211 -24.520 1.00 0.00 C ATOM 996 OG SER A 69 31.657 15.694 -25.040 1.00 0.00 O ATOM 0 H SER A 69 28.885 14.890 -26.645 1.00 0.00 H new ATOM 0 HA SER A 69 29.430 14.451 -23.808 1.00 0.00 H new ATOM 0 HB2 SER A 69 30.163 17.109 -25.070 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.587 16.505 -23.480 1.00 0.00 H new ATOM 0 HG SER A 69 32.359 16.374 -24.970 1.00 0.00 H new ATOM 1002 N CYS A 70 27.848 16.672 -23.404 1.00 0.00 N ATOM 1003 CA CYS A 70 26.617 17.395 -23.128 1.00 0.00 C ATOM 1004 C CYS A 70 26.205 18.252 -24.321 1.00 0.00 C ATOM 1005 O CYS A 70 26.935 18.355 -25.306 1.00 0.00 O ATOM 1006 CB CYS A 70 26.798 18.274 -21.892 1.00 0.00 C ATOM 1007 SG CYS A 70 27.171 17.344 -20.370 1.00 0.00 S ATOM 0 H CYS A 70 28.593 16.838 -22.727 1.00 0.00 H new ATOM 0 HA CYS A 70 25.827 16.667 -22.943 1.00 0.00 H new ATOM 0 HB2 CYS A 70 27.604 18.984 -22.078 1.00 0.00 H new ATOM 0 HB3 CYS A 70 25.890 18.856 -21.737 1.00 0.00 H new ATOM 1012 N THR A 71 25.030 18.862 -24.222 1.00 0.00 N ATOM 1013 CA THR A 71 24.517 19.710 -25.293 1.00 0.00 C ATOM 1014 C THR A 71 23.269 20.462 -24.847 1.00 0.00 C ATOM 1015 O THR A 71 22.711 20.186 -23.785 1.00 0.00 O ATOM 1016 CB THR A 71 24.178 18.886 -26.547 1.00 0.00 C ATOM 1017 OG1 THR A 71 24.003 19.755 -27.673 1.00 0.00 O ATOM 1018 CG2 THR A 71 22.914 18.071 -26.330 1.00 0.00 C ATOM 0 H THR A 71 24.414 18.786 -23.412 1.00 0.00 H new ATOM 0 HA THR A 71 25.305 20.424 -25.535 1.00 0.00 H new ATOM 0 HB THR A 71 25.005 18.203 -26.741 1.00 0.00 H new ATOM 0 HG1 THR A 71 24.113 19.243 -28.501 1.00 0.00 H new ATOM 0 HG21 THR A 71 22.693 17.496 -27.229 1.00 0.00 H new ATOM 0 HG22 THR A 71 23.059 17.391 -25.491 1.00 0.00 H new ATOM 0 HG23 THR A 71 22.082 18.741 -26.114 1.00 0.00 H new ATOM 1026 N THR A 72 22.834 21.413 -25.666 1.00 0.00 N ATOM 1027 CA THR A 72 21.650 22.204 -25.355 1.00 0.00 C ATOM 1028 C THR A 72 20.662 22.198 -26.516 1.00 0.00 C ATOM 1029 O THR A 72 19.844 23.107 -26.655 1.00 0.00 O ATOM 1030 CB THR A 72 22.021 23.660 -25.018 1.00 0.00 C ATOM 1031 OG1 THR A 72 23.062 24.116 -25.890 1.00 0.00 O ATOM 1032 CG2 THR A 72 22.477 23.780 -23.570 1.00 0.00 C ATOM 0 H THR A 72 23.283 21.654 -26.549 1.00 0.00 H new ATOM 0 HA THR A 72 21.183 21.744 -24.484 1.00 0.00 H new ATOM 0 HB THR A 72 21.135 24.279 -25.157 1.00 0.00 H new ATOM 0 HG1 THR A 72 23.290 25.043 -25.670 1.00 0.00 H new ATOM 0 HG21 THR A 72 22.734 24.817 -23.354 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.673 23.460 -22.908 1.00 0.00 H new ATOM 0 HG23 THR A 72 23.351 23.149 -23.410 1.00 0.00 H new ATOM 1040 N GLU A 73 20.744 21.164 -27.351 1.00 0.00 N ATOM 1041 CA GLU A 73 19.856 21.038 -28.502 1.00 0.00 C ATOM 1042 C GLU A 73 18.515 20.432 -28.099 1.00 0.00 C ATOM 1043 O GLU A 73 17.592 20.349 -28.909 1.00 0.00 O ATOM 1044 CB GLU A 73 20.514 20.173 -29.578 1.00 0.00 C ATOM 1045 CG GLU A 73 21.889 20.667 -29.997 1.00 0.00 C ATOM 1046 CD GLU A 73 21.839 22.016 -30.685 1.00 0.00 C ATOM 1047 OE1 GLU A 73 21.693 23.037 -29.979 1.00 0.00 O ATOM 1048 OE2 GLU A 73 21.945 22.054 -31.929 1.00 0.00 O ATOM 0 H GLU A 73 21.416 20.403 -27.251 1.00 0.00 H new ATOM 0 HA GLU A 73 19.674 22.036 -28.900 1.00 0.00 H new ATOM 0 HB2 GLU A 73 20.601 19.151 -29.208 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.866 20.141 -30.454 1.00 0.00 H new ATOM 0 HG2 GLU A 73 22.530 20.735 -29.118 1.00 0.00 H new ATOM 0 HG3 GLU A 73 22.344 19.938 -30.667 1.00 0.00 H new ATOM 1055 N GLY A 74 18.415 20.004 -26.844 1.00 0.00 N ATOM 1056 CA GLY A 74 17.182 19.409 -26.363 1.00 0.00 C ATOM 1057 C GLY A 74 16.289 20.405 -25.651 1.00 0.00 C ATOM 1058 O GLY A 74 15.179 20.067 -25.236 1.00 0.00 O ATOM 0 H GLY A 74 19.164 20.059 -26.154 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.639 18.978 -27.204 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.420 18.590 -25.684 1.00 0.00 H new ATOM 1122 N HIS A 79 21.094 25.362 -21.274 1.00 0.00 N ATOM 1123 CA HIS A 79 21.763 24.597 -20.228 1.00 0.00 C ATOM 1124 C HIS A 79 22.225 23.245 -20.759 1.00 0.00 C ATOM 1125 O HIS A 79 21.418 22.442 -21.231 1.00 0.00 O ATOM 1126 CB HIS A 79 20.830 24.397 -19.034 1.00 0.00 C ATOM 1127 CG HIS A 79 19.854 25.514 -18.841 1.00 0.00 C ATOM 1128 ND1 HIS A 79 18.542 25.310 -18.469 1.00 0.00 N ATOM 1129 CD2 HIS A 79 20.002 26.854 -18.974 1.00 0.00 C ATOM 1130 CE1 HIS A 79 17.926 26.476 -18.381 1.00 0.00 C ATOM 1131 NE2 HIS A 79 18.789 27.428 -18.681 1.00 0.00 N ATOM 0 HA HIS A 79 22.638 25.160 -19.903 1.00 0.00 H new ATOM 0 HB2 HIS A 79 20.281 23.465 -19.165 1.00 0.00 H new ATOM 0 HB3 HIS A 79 21.429 24.289 -18.130 1.00 0.00 H new ATOM 0 HD2 HIS A 79 20.905 27.374 -19.257 1.00 0.00 H new ATOM 0 HE1 HIS A 79 16.891 26.624 -18.109 1.00 0.00 H new ATOM 0 HE2 HIS A 79 18.588 28.428 -18.693 1.00 0.00 H new ATOM 1140 N LEU A 80 23.527 22.998 -20.677 1.00 0.00 N ATOM 1141 CA LEU A 80 24.099 21.743 -21.148 1.00 0.00 C ATOM 1142 C LEU A 80 23.522 20.561 -20.379 1.00 0.00 C ATOM 1143 O LEU A 80 23.322 20.634 -19.166 1.00 0.00 O ATOM 1144 CB LEU A 80 25.621 21.767 -20.999 1.00 0.00 C ATOM 1145 CG LEU A 80 26.371 22.487 -22.121 1.00 0.00 C ATOM 1146 CD1 LEU A 80 25.808 23.884 -22.327 1.00 0.00 C ATOM 1147 CD2 LEU A 80 27.859 22.550 -21.809 1.00 0.00 C ATOM 0 H LEU A 80 24.207 23.651 -20.288 1.00 0.00 H new ATOM 0 HA LEU A 80 23.844 21.628 -22.202 1.00 0.00 H new ATOM 0 HB2 LEU A 80 25.870 22.245 -20.051 1.00 0.00 H new ATOM 0 HB3 LEU A 80 25.981 20.740 -20.943 1.00 0.00 H new ATOM 0 HG LEU A 80 26.236 21.924 -23.044 1.00 0.00 H new ATOM 0 HD11 LEU A 80 26.353 24.382 -23.129 1.00 0.00 H new ATOM 0 HD12 LEU A 80 24.753 23.816 -22.594 1.00 0.00 H new ATOM 0 HD13 LEU A 80 25.913 24.458 -21.406 1.00 0.00 H new ATOM 0 HD21 LEU A 80 28.379 23.065 -22.617 1.00 0.00 H new ATOM 0 HD22 LEU A 80 28.012 23.091 -20.875 1.00 0.00 H new ATOM 0 HD23 LEU A 80 28.253 21.539 -21.711 1.00 0.00 H new ATOM 1159 N TRP A 81 23.262 19.472 -21.091 1.00 0.00 N ATOM 1160 CA TRP A 81 22.711 18.273 -20.476 1.00 0.00 C ATOM 1161 C TRP A 81 23.214 17.019 -21.186 1.00 0.00 C ATOM 1162 O TRP A 81 23.347 16.999 -22.409 1.00 0.00 O ATOM 1163 CB TRP A 81 21.182 18.312 -20.505 1.00 0.00 C ATOM 1164 CG TRP A 81 20.617 18.461 -21.885 1.00 0.00 C ATOM 1165 CD1 TRP A 81 20.253 19.622 -22.502 1.00 0.00 C ATOM 1166 CD2 TRP A 81 20.347 17.408 -22.818 1.00 0.00 C ATOM 1167 NE1 TRP A 81 19.776 19.357 -23.763 1.00 0.00 N ATOM 1168 CE2 TRP A 81 19.823 18.005 -23.980 1.00 0.00 C ATOM 1169 CE3 TRP A 81 20.499 16.019 -22.784 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 19.451 17.261 -25.098 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.130 15.281 -23.894 1.00 0.00 C ATOM 1172 CH2 TRP A 81 19.612 15.903 -25.036 1.00 0.00 C ATOM 0 H TRP A 81 23.424 19.395 -22.095 1.00 0.00 H new ATOM 0 HA TRP A 81 23.044 18.242 -19.439 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.794 17.397 -20.058 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.835 19.140 -19.887 1.00 0.00 H new ATOM 0 HD1 TRP A 81 20.329 20.606 -22.063 1.00 0.00 H new ATOM 0 HE1 TRP A 81 19.441 20.053 -24.429 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.897 15.531 -21.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 19.051 17.738 -25.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.243 14.207 -23.879 1.00 0.00 H new ATOM 0 HH2 TRP A 81 19.333 15.299 -25.887 1.00 0.00 H new ATOM 1183 N CYS A 82 23.490 15.975 -20.409 1.00 0.00 N ATOM 1184 CA CYS A 82 23.975 14.717 -20.964 1.00 0.00 C ATOM 1185 C CYS A 82 22.967 13.597 -20.729 1.00 0.00 C ATOM 1186 O CYS A 82 22.027 13.748 -19.949 1.00 0.00 O ATOM 1187 CB CYS A 82 25.322 14.343 -20.343 1.00 0.00 C ATOM 1188 SG CYS A 82 25.276 14.137 -18.532 1.00 0.00 S ATOM 0 H CYS A 82 23.386 15.976 -19.394 1.00 0.00 H new ATOM 0 HA CYS A 82 24.104 14.850 -22.038 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.673 13.415 -20.795 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.051 15.114 -20.592 1.00 0.00 H new ATOM 1193 N SER A 83 23.169 12.475 -21.411 1.00 0.00 N ATOM 1194 CA SER A 83 22.277 11.329 -21.279 1.00 0.00 C ATOM 1195 C SER A 83 22.770 10.377 -20.195 1.00 0.00 C ATOM 1196 O SER A 83 23.972 10.236 -19.978 1.00 0.00 O ATOM 1197 CB SER A 83 22.169 10.589 -22.613 1.00 0.00 C ATOM 1198 OG SER A 83 23.441 10.145 -23.055 1.00 0.00 O ATOM 0 H SER A 83 23.943 12.335 -22.061 1.00 0.00 H new ATOM 0 HA SER A 83 21.292 11.696 -20.992 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.500 9.736 -22.506 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.729 11.247 -23.363 1.00 0.00 H new ATOM 0 HG SER A 83 23.778 10.753 -23.746 1.00 0.00 H new ATOM 1204 N THR A 84 21.831 9.724 -19.518 1.00 0.00 N ATOM 1205 CA THR A 84 22.167 8.782 -18.457 1.00 0.00 C ATOM 1206 C THR A 84 21.872 7.350 -18.889 1.00 0.00 C ATOM 1207 O THR A 84 22.318 6.393 -18.255 1.00 0.00 O ATOM 1208 CB THR A 84 21.389 9.087 -17.164 1.00 0.00 C ATOM 1209 OG1 THR A 84 19.987 8.886 -17.379 1.00 0.00 O ATOM 1210 CG2 THR A 84 21.636 10.517 -16.707 1.00 0.00 C ATOM 0 H THR A 84 20.830 9.830 -19.686 1.00 0.00 H new ATOM 0 HA THR A 84 23.234 8.891 -18.261 1.00 0.00 H new ATOM 0 HB THR A 84 21.740 8.409 -16.386 1.00 0.00 H new ATOM 0 HG1 THR A 84 19.707 9.368 -18.185 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.076 10.708 -15.792 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.700 10.660 -16.518 1.00 0.00 H new ATOM 0 HG23 THR A 84 21.310 11.209 -17.484 1.00 0.00 H new ATOM 1218 N THR A 85 21.118 7.214 -19.975 1.00 0.00 N ATOM 1219 CA THR A 85 20.758 5.904 -20.501 1.00 0.00 C ATOM 1220 C THR A 85 20.971 5.849 -22.011 1.00 0.00 C ATOM 1221 O THR A 85 20.597 6.773 -22.733 1.00 0.00 O ATOM 1222 CB THR A 85 19.288 5.561 -20.186 1.00 0.00 C ATOM 1223 OG1 THR A 85 19.143 5.262 -18.791 1.00 0.00 O ATOM 1224 CG2 THR A 85 18.811 4.377 -21.016 1.00 0.00 C ATOM 0 H THR A 85 20.744 7.998 -20.509 1.00 0.00 H new ATOM 0 HA THR A 85 21.405 5.173 -20.017 1.00 0.00 H new ATOM 0 HB THR A 85 18.677 6.427 -20.439 1.00 0.00 H new ATOM 0 HG1 THR A 85 18.200 5.086 -18.590 1.00 0.00 H new ATOM 0 HG21 THR A 85 17.771 4.158 -20.773 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.893 4.619 -22.076 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.427 3.506 -20.794 1.00 0.00 H new ATOM 1232 N SER A 86 21.569 4.759 -22.484 1.00 0.00 N ATOM 1233 CA SER A 86 21.822 4.592 -23.910 1.00 0.00 C ATOM 1234 C SER A 86 20.588 4.977 -24.718 1.00 0.00 C ATOM 1235 O SER A 86 20.683 5.684 -25.721 1.00 0.00 O ATOM 1236 CB SER A 86 22.220 3.147 -24.216 1.00 0.00 C ATOM 1237 OG SER A 86 23.412 3.096 -24.980 1.00 0.00 O ATOM 0 H SER A 86 21.886 3.982 -21.903 1.00 0.00 H new ATOM 0 HA SER A 86 22.645 5.249 -24.192 1.00 0.00 H new ATOM 0 HB2 SER A 86 22.359 2.600 -23.284 1.00 0.00 H new ATOM 0 HB3 SER A 86 21.415 2.652 -24.759 1.00 0.00 H new ATOM 0 HG SER A 86 23.645 2.161 -25.160 1.00 0.00 H new ATOM 1243 N ASN A 87 19.429 4.512 -24.266 1.00 0.00 N ATOM 1244 CA ASN A 87 18.170 4.809 -24.936 1.00 0.00 C ATOM 1245 C ASN A 87 17.485 6.008 -24.288 1.00 0.00 C ATOM 1246 O ASN A 87 16.606 5.850 -23.441 1.00 0.00 O ATOM 1247 CB ASN A 87 17.244 3.593 -24.886 1.00 0.00 C ATOM 1248 CG ASN A 87 16.725 3.203 -26.256 1.00 0.00 C ATOM 1249 OD1 ASN A 87 17.352 3.492 -27.276 1.00 0.00 O ATOM 1250 ND2 ASN A 87 15.574 2.543 -26.286 1.00 0.00 N ATOM 0 H ASN A 87 19.336 3.926 -23.436 1.00 0.00 H new ATOM 0 HA ASN A 87 18.386 5.051 -25.977 1.00 0.00 H new ATOM 0 HB2 ASN A 87 17.780 2.750 -24.450 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.401 3.809 -24.229 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.175 2.254 -27.179 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.088 2.325 -25.416 1.00 0.00 H new ATOM 1257 N TYR A 88 17.892 7.208 -24.691 1.00 0.00 N ATOM 1258 CA TYR A 88 17.318 8.432 -24.148 1.00 0.00 C ATOM 1259 C TYR A 88 15.955 8.706 -24.771 1.00 0.00 C ATOM 1260 O TYR A 88 15.100 9.350 -24.162 1.00 0.00 O ATOM 1261 CB TYR A 88 18.254 9.617 -24.393 1.00 0.00 C ATOM 1262 CG TYR A 88 17.578 10.963 -24.255 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.926 11.548 -25.333 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.592 11.648 -23.046 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.308 12.778 -25.211 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.975 12.878 -22.915 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.335 13.439 -24.000 1.00 0.00 C ATOM 1268 OH TYR A 88 15.721 14.663 -23.874 1.00 0.00 O ATOM 0 H TYR A 88 18.618 7.358 -25.392 1.00 0.00 H new ATOM 0 HA TYR A 88 17.191 8.302 -23.073 1.00 0.00 H new ATOM 0 HB2 TYR A 88 19.085 9.564 -23.690 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.677 9.534 -25.394 1.00 0.00 H new ATOM 0 HD1 TYR A 88 16.902 11.033 -26.282 1.00 0.00 H new ATOM 0 HD2 TYR A 88 18.093 11.212 -22.195 1.00 0.00 H new ATOM 0 HE1 TYR A 88 15.806 13.220 -26.059 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.994 13.397 -21.968 1.00 0.00 H new ATOM 0 HH TYR A 88 15.832 14.992 -22.957 1.00 0.00 H new ATOM 1278 N GLU A 89 15.759 8.210 -25.988 1.00 0.00 N ATOM 1279 CA GLU A 89 14.497 8.399 -26.692 1.00 0.00 C ATOM 1280 C GLU A 89 13.390 7.578 -26.042 1.00 0.00 C ATOM 1281 O GLU A 89 12.207 7.779 -26.321 1.00 0.00 O ATOM 1282 CB GLU A 89 14.646 8.008 -28.164 1.00 0.00 C ATOM 1283 CG GLU A 89 15.186 9.127 -29.040 1.00 0.00 C ATOM 1284 CD GLU A 89 15.574 8.649 -30.426 1.00 0.00 C ATOM 1285 OE1 GLU A 89 15.504 7.428 -30.674 1.00 0.00 O ATOM 1286 OE2 GLU A 89 15.948 9.498 -31.262 1.00 0.00 O ATOM 0 H GLU A 89 16.456 7.675 -26.506 1.00 0.00 H new ATOM 0 HA GLU A 89 14.227 9.453 -26.632 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.311 7.148 -28.237 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.675 7.694 -28.548 1.00 0.00 H new ATOM 0 HG2 GLU A 89 14.433 9.910 -29.128 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.055 9.574 -28.557 1.00 0.00 H new ATOM 1293 N GLN A 90 13.781 6.654 -25.170 1.00 0.00 N ATOM 1294 CA GLN A 90 12.825 5.802 -24.474 1.00 0.00 C ATOM 1295 C GLN A 90 12.759 6.164 -22.993 1.00 0.00 C ATOM 1296 O GLN A 90 11.676 6.322 -22.428 1.00 0.00 O ATOM 1297 CB GLN A 90 13.209 4.327 -24.648 1.00 0.00 C ATOM 1298 CG GLN A 90 12.788 3.436 -23.489 1.00 0.00 C ATOM 1299 CD GLN A 90 11.283 3.274 -23.394 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.594 4.106 -22.806 1.00 0.00 O ATOM 1301 NE2 GLN A 90 10.766 2.198 -23.976 1.00 0.00 N ATOM 0 H GLN A 90 14.756 6.476 -24.929 1.00 0.00 H new ATOM 0 HA GLN A 90 11.838 5.962 -24.908 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.756 3.950 -25.565 1.00 0.00 H new ATOM 0 HB3 GLN A 90 14.289 4.256 -24.773 1.00 0.00 H new ATOM 0 HG2 GLN A 90 13.249 2.455 -23.604 1.00 0.00 H new ATOM 0 HG3 GLN A 90 13.164 3.857 -22.557 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.376 1.534 -24.453 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.759 2.036 -23.946 1.00 0.00 H new ATOM 1310 N ASP A 91 13.924 6.296 -22.373 1.00 0.00 N ATOM 1311 CA ASP A 91 14.003 6.642 -20.958 1.00 0.00 C ATOM 1312 C ASP A 91 13.829 8.144 -20.761 1.00 0.00 C ATOM 1313 O ASP A 91 13.099 8.584 -19.872 1.00 0.00 O ATOM 1314 CB ASP A 91 15.344 6.193 -20.372 1.00 0.00 C ATOM 1315 CG ASP A 91 15.202 4.995 -19.454 1.00 0.00 C ATOM 1316 OD1 ASP A 91 14.271 4.191 -19.666 1.00 0.00 O ATOM 1317 OD2 ASP A 91 16.022 4.863 -18.521 1.00 0.00 O ATOM 0 H ASP A 91 14.828 6.169 -22.827 1.00 0.00 H new ATOM 0 HA ASP A 91 13.197 6.125 -20.437 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.028 5.946 -21.184 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.791 7.020 -19.820 1.00 0.00 H new ATOM 1322 N GLN A 92 14.502 8.923 -21.599 1.00 0.00 N ATOM 1323 CA GLN A 92 14.422 10.377 -21.525 1.00 0.00 C ATOM 1324 C GLN A 92 15.161 10.907 -20.300 1.00 0.00 C ATOM 1325 O GLN A 92 14.989 12.063 -19.913 1.00 0.00 O ATOM 1326 CB GLN A 92 12.961 10.826 -21.483 1.00 0.00 C ATOM 1327 CG GLN A 92 12.557 11.692 -22.664 1.00 0.00 C ATOM 1328 CD GLN A 92 11.807 10.914 -23.727 1.00 0.00 C ATOM 1329 OE1 GLN A 92 10.668 11.239 -24.064 1.00 0.00 O ATOM 1330 NE2 GLN A 92 12.442 9.878 -24.261 1.00 0.00 N ATOM 0 H GLN A 92 15.110 8.572 -22.339 1.00 0.00 H new ATOM 0 HA GLN A 92 14.898 10.784 -22.417 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.320 9.945 -21.453 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.786 11.380 -20.560 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.933 12.513 -22.311 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.449 12.137 -23.106 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.386 9.644 -23.952 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.986 9.316 -24.980 1.00 0.00 H new ATOM 1339 N LYS A 93 15.982 10.058 -19.693 1.00 0.00 N ATOM 1340 CA LYS A 93 16.744 10.447 -18.511 1.00 0.00 C ATOM 1341 C LYS A 93 18.004 11.205 -18.906 1.00 0.00 C ATOM 1342 O LYS A 93 18.861 10.680 -19.616 1.00 0.00 O ATOM 1343 CB LYS A 93 17.109 9.215 -17.681 1.00 0.00 C ATOM 1344 CG LYS A 93 15.960 8.690 -16.837 1.00 0.00 C ATOM 1345 CD LYS A 93 14.646 8.741 -17.596 1.00 0.00 C ATOM 1346 CE LYS A 93 13.650 7.728 -17.058 1.00 0.00 C ATOM 1347 NZ LYS A 93 12.243 8.162 -17.274 1.00 0.00 N ATOM 0 H LYS A 93 16.137 9.097 -19.999 1.00 0.00 H new ATOM 0 HA LYS A 93 16.120 11.106 -17.907 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.449 8.424 -18.350 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.946 9.462 -17.028 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.168 7.663 -16.535 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.878 9.280 -15.924 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.222 9.743 -17.524 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.828 8.547 -18.653 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.812 6.766 -17.545 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.824 7.579 -15.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.600 7.371 -17.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.025 8.960 -16.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.119 8.458 -18.263 1.00 0.00 H new ATOM 1361 N TYR A 94 18.108 12.447 -18.445 1.00 0.00 N ATOM 1362 CA TYR A 94 19.265 13.281 -18.755 1.00 0.00 C ATOM 1363 C TYR A 94 19.648 14.165 -17.573 1.00 0.00 C ATOM 1364 O TYR A 94 18.825 14.454 -16.705 1.00 0.00 O ATOM 1365 CB TYR A 94 18.975 14.152 -19.981 1.00 0.00 C ATOM 1366 CG TYR A 94 18.154 15.384 -19.672 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.696 16.443 -18.951 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.838 15.492 -20.104 1.00 0.00 C ATOM 1369 CE1 TYR A 94 17.948 17.571 -18.669 1.00 0.00 C ATOM 1370 CE2 TYR A 94 16.085 16.617 -19.826 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.644 17.653 -19.109 1.00 0.00 C ATOM 1372 OH TYR A 94 15.896 18.774 -18.831 1.00 0.00 O ATOM 0 H TYR A 94 17.407 12.898 -17.857 1.00 0.00 H new ATOM 0 HA TYR A 94 20.104 12.619 -18.970 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.920 14.459 -20.429 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.449 13.553 -20.725 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.718 16.383 -18.606 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.396 14.683 -20.667 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.383 18.384 -18.107 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.063 16.684 -20.169 1.00 0.00 H new ATOM 0 HH TYR A 94 14.999 18.672 -19.213 1.00 0.00 H new ATOM 1382 N SER A 95 20.905 14.596 -17.554 1.00 0.00 N ATOM 1383 CA SER A 95 21.411 15.455 -16.491 1.00 0.00 C ATOM 1384 C SER A 95 22.086 16.688 -17.081 1.00 0.00 C ATOM 1385 O SER A 95 22.607 16.644 -18.193 1.00 0.00 O ATOM 1386 CB SER A 95 22.399 14.688 -15.610 1.00 0.00 C ATOM 1387 OG SER A 95 22.911 13.553 -16.287 1.00 0.00 O ATOM 0 H SER A 95 21.595 14.362 -18.268 1.00 0.00 H new ATOM 0 HA SER A 95 20.569 15.775 -15.877 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.220 15.345 -15.322 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.904 14.375 -14.691 1.00 0.00 H new ATOM 0 HG SER A 95 23.599 13.836 -16.925 1.00 0.00 H new ATOM 1393 N PHE A 96 22.068 17.787 -16.335 1.00 0.00 N ATOM 1394 CA PHE A 96 22.672 19.032 -16.800 1.00 0.00 C ATOM 1395 C PHE A 96 24.193 18.984 -16.709 1.00 0.00 C ATOM 1396 O PHE A 96 24.775 17.979 -16.298 1.00 0.00 O ATOM 1397 CB PHE A 96 22.144 20.214 -15.988 1.00 0.00 C ATOM 1398 CG PHE A 96 20.743 20.608 -16.351 1.00 0.00 C ATOM 1399 CD1 PHE A 96 20.327 20.595 -17.673 1.00 0.00 C ATOM 1400 CD2 PHE A 96 19.841 20.985 -15.370 1.00 0.00 C ATOM 1401 CE1 PHE A 96 19.037 20.953 -18.011 1.00 0.00 C ATOM 1402 CE2 PHE A 96 18.548 21.344 -15.702 1.00 0.00 C ATOM 1403 CZ PHE A 96 18.145 21.328 -17.024 1.00 0.00 C ATOM 0 H PHE A 96 21.644 17.842 -15.409 1.00 0.00 H new ATOM 0 HA PHE A 96 22.397 19.160 -17.847 1.00 0.00 H new ATOM 0 HB2 PHE A 96 22.180 19.962 -14.928 1.00 0.00 H new ATOM 0 HB3 PHE A 96 22.804 21.069 -16.134 1.00 0.00 H new ATOM 0 HD1 PHE A 96 21.020 20.301 -18.448 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.151 20.999 -14.335 1.00 0.00 H new ATOM 0 HE1 PHE A 96 18.725 20.940 -19.045 1.00 0.00 H new ATOM 0 HE2 PHE A 96 17.853 21.637 -14.929 1.00 0.00 H new ATOM 0 HZ PHE A 96 17.135 21.608 -17.285 1.00 0.00 H new ATOM 1413 N CYS A 97 24.830 20.086 -17.097 1.00 0.00 N ATOM 1414 CA CYS A 97 26.284 20.190 -17.063 1.00 0.00 C ATOM 1415 C CYS A 97 26.715 21.650 -16.970 1.00 0.00 C ATOM 1416 O CYS A 97 27.232 22.215 -17.933 1.00 0.00 O ATOM 1417 CB CYS A 97 26.898 19.544 -18.306 1.00 0.00 C ATOM 1418 SG CYS A 97 25.930 18.160 -18.987 1.00 0.00 S ATOM 0 H CYS A 97 24.358 20.923 -17.440 1.00 0.00 H new ATOM 0 HA CYS A 97 26.641 19.661 -16.179 1.00 0.00 H new ATOM 0 HB2 CYS A 97 27.014 20.305 -19.077 1.00 0.00 H new ATOM 0 HB3 CYS A 97 27.898 19.186 -18.059 1.00 0.00 H new ATOM 1423 N THR A 98 26.486 22.251 -15.803 1.00 0.00 N ATOM 1424 CA THR A 98 26.837 23.652 -15.562 1.00 0.00 C ATOM 1425 C THR A 98 28.020 24.091 -16.421 1.00 0.00 C ATOM 1426 O THR A 98 28.042 25.205 -16.942 1.00 0.00 O ATOM 1427 CB THR A 98 27.168 23.913 -14.074 1.00 0.00 C ATOM 1428 OG1 THR A 98 28.419 24.602 -13.957 1.00 0.00 O ATOM 1429 CG2 THR A 98 27.231 22.612 -13.285 1.00 0.00 C ATOM 0 H THR A 98 26.056 21.786 -15.004 1.00 0.00 H new ATOM 0 HA THR A 98 25.960 24.238 -15.837 1.00 0.00 H new ATOM 0 HB THR A 98 26.370 24.531 -13.661 1.00 0.00 H new ATOM 0 HG1 THR A 98 28.617 24.763 -13.011 1.00 0.00 H new ATOM 0 HG21 THR A 98 27.466 22.829 -12.243 1.00 0.00 H new ATOM 0 HG22 THR A 98 26.268 22.105 -13.342 1.00 0.00 H new ATOM 0 HG23 THR A 98 28.005 21.969 -13.705 1.00 0.00 H new