USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 THR OG1 : rot -62:sc= -0.915 USER MOD Set 1.2: A 85 THR OG1 : rot 142:sc= 0.0635 USER MOD Single : A 3 HIS : no HD1:sc= -1.82 K(o=-1.8,f=-0.12) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.591 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -112:sc= 1.39 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -136:sc= -0.233 (180deg=-0.498) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -1.4 K(o=-1.4,f=-5.8!) USER MOD Single : A 27 MET CE :methyl -176:sc= -1.36! (180deg=-1.36!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0425 USER MOD Single : A 34 ASN : amide:sc= -4.2! C(o=-4.2!,f=-18!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.671 K(o=-0.67,f=-4.6!) USER MOD Single : A 45 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.42) USER MOD Single : A 46 THR OG1 : rot 108:sc= 0.369 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) USER MOD Single : A 51 SER OG : rot 170:sc= -1.54! USER MOD Single : A 52 ASN : amide:sc= -1.61! C(o=-1.6!,f=-2.4!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.1) 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 37:sc= 0.321 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.0038) USER MOD Single : A 83 SER OG : rot -173:sc= -0.498 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -1.66 K(o=-1.7,f=-0.055) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.777 K(o=-0.78,f=-1.9!) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -176:sc= -0.6 (180deg=-0.633) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 176:sc= 0.308 USER MOD Single : A 98 THR OG1 : rot 180:sc=-0.00839 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 44.813 2.430 -40.676 1.00 0.00 N ATOM 32 CA HIS A 3 44.654 1.871 -39.341 1.00 0.00 C ATOM 33 C HIS A 3 45.200 2.829 -38.288 1.00 0.00 C ATOM 34 O HIS A 3 46.355 3.250 -38.360 1.00 0.00 O ATOM 35 CB HIS A 3 45.376 0.526 -39.247 1.00 0.00 C ATOM 36 CG HIS A 3 44.507 -0.648 -39.579 1.00 0.00 C ATOM 37 ND1 HIS A 3 44.661 -1.396 -40.727 1.00 0.00 N ATOM 38 CD2 HIS A 3 43.471 -1.205 -38.906 1.00 0.00 C ATOM 39 CE1 HIS A 3 43.758 -2.360 -40.746 1.00 0.00 C ATOM 40 NE2 HIS A 3 43.025 -2.267 -39.654 1.00 0.00 N ATOM 0 HA HIS A 3 43.591 1.721 -39.154 1.00 0.00 H new ATOM 0 HB2 HIS A 3 46.232 0.535 -39.921 1.00 0.00 H new ATOM 0 HB3 HIS A 3 45.767 0.403 -38.237 1.00 0.00 H new ATOM 0 HD2 HIS A 3 43.071 -0.875 -37.959 1.00 0.00 H new ATOM 0 HE1 HIS A 3 43.640 -3.099 -41.524 1.00 0.00 H new ATOM 0 HE2 HIS A 3 42.252 -2.884 -39.405 1.00 0.00 H new ATOM 49 N CYS A 4 44.368 3.172 -37.310 1.00 0.00 N ATOM 50 CA CYS A 4 44.785 4.084 -36.247 1.00 0.00 C ATOM 51 C CYS A 4 45.092 3.325 -34.961 1.00 0.00 C ATOM 52 O CYS A 4 44.258 2.575 -34.457 1.00 0.00 O ATOM 53 CB CYS A 4 43.714 5.149 -35.984 1.00 0.00 C ATOM 54 SG CYS A 4 42.029 4.674 -36.500 1.00 0.00 S ATOM 0 H CYS A 4 43.408 2.836 -37.230 1.00 0.00 H new ATOM 0 HA CYS A 4 45.695 4.581 -36.582 1.00 0.00 H new ATOM 0 HB2 CYS A 4 43.703 5.379 -34.919 1.00 0.00 H new ATOM 0 HB3 CYS A 4 43.995 6.065 -36.505 1.00 0.00 H new ATOM 59 N VAL A 5 46.296 3.527 -34.436 1.00 0.00 N ATOM 60 CA VAL A 5 46.717 2.862 -33.209 1.00 0.00 C ATOM 61 C VAL A 5 47.054 3.875 -32.120 1.00 0.00 C ATOM 62 O VAL A 5 48.132 4.471 -32.125 1.00 0.00 O ATOM 63 CB VAL A 5 47.944 1.963 -33.450 1.00 0.00 C ATOM 64 CG1 VAL A 5 48.361 1.272 -32.160 1.00 0.00 C ATOM 65 CG2 VAL A 5 47.654 0.943 -34.542 1.00 0.00 C ATOM 0 H VAL A 5 46.998 4.146 -34.842 1.00 0.00 H new ATOM 0 HA VAL A 5 45.880 2.245 -32.883 1.00 0.00 H new ATOM 0 HB VAL A 5 48.771 2.590 -33.783 1.00 0.00 H new ATOM 0 HG11 VAL A 5 49.229 0.641 -32.350 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.614 2.022 -31.411 1.00 0.00 H new ATOM 0 HG13 VAL A 5 47.539 0.657 -31.794 1.00 0.00 H new ATOM 0 HG21 VAL A 5 48.533 0.317 -34.698 1.00 0.00 H new ATOM 0 HG22 VAL A 5 46.812 0.319 -34.242 1.00 0.00 H new ATOM 0 HG23 VAL A 5 47.409 1.462 -35.469 1.00 0.00 H new ATOM 75 N THR A 6 46.128 4.065 -31.187 1.00 0.00 N ATOM 76 CA THR A 6 46.329 5.005 -30.092 1.00 0.00 C ATOM 77 C THR A 6 47.719 4.849 -29.485 1.00 0.00 C ATOM 78 O THR A 6 48.633 5.613 -29.798 1.00 0.00 O ATOM 79 CB THR A 6 45.273 4.817 -28.984 1.00 0.00 C ATOM 80 OG1 THR A 6 45.840 5.131 -27.707 1.00 0.00 O ATOM 81 CG2 THR A 6 44.744 3.390 -28.973 1.00 0.00 C ATOM 0 H THR A 6 45.231 3.580 -31.167 1.00 0.00 H new ATOM 0 HA THR A 6 46.227 6.006 -30.512 1.00 0.00 H new ATOM 0 HB THR A 6 44.442 5.493 -29.188 1.00 0.00 H new ATOM 0 HG1 THR A 6 45.162 5.011 -27.010 1.00 0.00 H new ATOM 0 HG21 THR A 6 44.001 3.284 -28.183 1.00 0.00 H new ATOM 0 HG22 THR A 6 44.285 3.165 -29.936 1.00 0.00 H new ATOM 0 HG23 THR A 6 45.567 2.698 -28.793 1.00 0.00 H new ATOM 89 N ASP A 7 47.873 3.857 -28.615 1.00 0.00 N ATOM 90 CA ASP A 7 49.154 3.601 -27.966 1.00 0.00 C ATOM 91 C ASP A 7 49.930 2.514 -28.701 1.00 0.00 C ATOM 92 O ASP A 7 50.737 2.804 -29.585 1.00 0.00 O ATOM 93 CB ASP A 7 48.937 3.188 -26.508 1.00 0.00 C ATOM 94 CG ASP A 7 49.209 4.323 -25.541 1.00 0.00 C ATOM 95 OD1 ASP A 7 49.727 5.369 -25.982 1.00 0.00 O ATOM 96 OD2 ASP A 7 48.904 4.164 -24.340 1.00 0.00 O ATOM 0 H ASP A 7 47.127 3.217 -28.343 1.00 0.00 H new ATOM 0 HA ASP A 7 49.737 4.522 -27.995 1.00 0.00 H new ATOM 0 HB2 ASP A 7 47.911 2.842 -26.380 1.00 0.00 H new ATOM 0 HB3 ASP A 7 49.589 2.347 -26.270 1.00 0.00 H new ATOM 101 N SER A 8 49.682 1.264 -28.328 1.00 0.00 N ATOM 102 CA SER A 8 50.357 0.131 -28.950 1.00 0.00 C ATOM 103 C SER A 8 49.604 -1.168 -28.683 1.00 0.00 C ATOM 104 O SER A 8 50.193 -2.248 -28.679 1.00 0.00 O ATOM 105 CB SER A 8 51.791 0.020 -28.429 1.00 0.00 C ATOM 106 OG SER A 8 51.810 -0.245 -27.038 1.00 0.00 O ATOM 0 H SER A 8 49.018 1.009 -27.597 1.00 0.00 H new ATOM 0 HA SER A 8 50.379 0.299 -30.027 1.00 0.00 H new ATOM 0 HB2 SER A 8 52.314 -0.775 -28.961 1.00 0.00 H new ATOM 0 HB3 SER A 8 52.328 0.946 -28.633 1.00 0.00 H new ATOM 0 HG SER A 8 52.738 -0.313 -26.731 1.00 0.00 H new ATOM 112 N GLY A 9 48.298 -1.055 -28.460 1.00 0.00 N ATOM 113 CA GLY A 9 47.488 -2.230 -28.196 1.00 0.00 C ATOM 114 C GLY A 9 46.252 -2.292 -29.068 1.00 0.00 C ATOM 115 O GLY A 9 45.929 -3.338 -29.631 1.00 0.00 O ATOM 0 H GLY A 9 47.787 -0.172 -28.457 1.00 0.00 H new ATOM 0 HA2 GLY A 9 48.089 -3.125 -28.359 1.00 0.00 H new ATOM 0 HA3 GLY A 9 47.189 -2.233 -27.148 1.00 0.00 H new ATOM 119 N VAL A 10 45.558 -1.166 -29.184 1.00 0.00 N ATOM 120 CA VAL A 10 44.350 -1.089 -29.994 1.00 0.00 C ATOM 121 C VAL A 10 44.682 -0.720 -31.436 1.00 0.00 C ATOM 122 O VAL A 10 45.579 0.084 -31.689 1.00 0.00 O ATOM 123 CB VAL A 10 43.358 -0.058 -29.426 1.00 0.00 C ATOM 124 CG1 VAL A 10 42.067 -0.055 -30.233 1.00 0.00 C ATOM 125 CG2 VAL A 10 43.078 -0.339 -27.958 1.00 0.00 C ATOM 0 H VAL A 10 45.813 -0.291 -28.725 1.00 0.00 H new ATOM 0 HA VAL A 10 43.887 -2.076 -29.971 1.00 0.00 H new ATOM 0 HB VAL A 10 43.808 0.932 -29.503 1.00 0.00 H new ATOM 0 HG11 VAL A 10 41.379 0.680 -29.816 1.00 0.00 H new ATOM 0 HG12 VAL A 10 42.286 0.201 -31.270 1.00 0.00 H new ATOM 0 HG13 VAL A 10 41.610 -1.044 -30.192 1.00 0.00 H new ATOM 0 HG21 VAL A 10 42.375 0.400 -27.574 1.00 0.00 H new ATOM 0 HG22 VAL A 10 42.650 -1.336 -27.854 1.00 0.00 H new ATOM 0 HG23 VAL A 10 44.008 -0.283 -27.393 1.00 0.00 H new ATOM 135 N VAL A 11 43.958 -1.314 -32.379 1.00 0.00 N ATOM 136 CA VAL A 11 44.183 -1.045 -33.794 1.00 0.00 C ATOM 137 C VAL A 11 42.923 -0.505 -34.462 1.00 0.00 C ATOM 138 O VAL A 11 42.219 -1.232 -35.162 1.00 0.00 O ATOM 139 CB VAL A 11 44.644 -2.310 -34.542 1.00 0.00 C ATOM 140 CG1 VAL A 11 44.622 -2.077 -36.046 1.00 0.00 C ATOM 141 CG2 VAL A 11 46.031 -2.727 -34.081 1.00 0.00 C ATOM 0 H VAL A 11 43.212 -1.983 -32.189 1.00 0.00 H new ATOM 0 HA VAL A 11 44.970 -0.292 -33.848 1.00 0.00 H new ATOM 0 HB VAL A 11 43.951 -3.120 -34.312 1.00 0.00 H new ATOM 0 HG11 VAL A 11 44.951 -2.981 -36.559 1.00 0.00 H new ATOM 0 HG12 VAL A 11 43.608 -1.829 -36.361 1.00 0.00 H new ATOM 0 HG13 VAL A 11 45.291 -1.254 -36.297 1.00 0.00 H new ATOM 0 HG21 VAL A 11 46.340 -3.622 -34.620 1.00 0.00 H new ATOM 0 HG22 VAL A 11 46.738 -1.922 -34.280 1.00 0.00 H new ATOM 0 HG23 VAL A 11 46.011 -2.936 -33.012 1.00 0.00 H new ATOM 151 N TYR A 12 42.651 0.777 -34.249 1.00 0.00 N ATOM 152 CA TYR A 12 41.483 1.417 -34.839 1.00 0.00 C ATOM 153 C TYR A 12 41.609 1.465 -36.358 1.00 0.00 C ATOM 154 O TYR A 12 42.518 0.868 -36.934 1.00 0.00 O ATOM 155 CB TYR A 12 41.319 2.837 -34.292 1.00 0.00 C ATOM 156 CG TYR A 12 40.872 2.890 -32.853 1.00 0.00 C ATOM 157 CD1 TYR A 12 39.580 2.528 -32.492 1.00 0.00 C ATOM 158 CD2 TYR A 12 41.742 3.304 -31.856 1.00 0.00 C ATOM 159 CE1 TYR A 12 39.170 2.577 -31.174 1.00 0.00 C ATOM 160 CE2 TYR A 12 41.340 3.355 -30.534 1.00 0.00 C ATOM 161 CZ TYR A 12 40.052 2.991 -30.199 1.00 0.00 C ATOM 162 OH TYR A 12 39.647 3.040 -28.884 1.00 0.00 O ATOM 0 H TYR A 12 43.224 1.393 -33.672 1.00 0.00 H new ATOM 0 HA TYR A 12 40.604 0.829 -34.575 1.00 0.00 H new ATOM 0 HB2 TYR A 12 42.268 3.364 -34.387 1.00 0.00 H new ATOM 0 HB3 TYR A 12 40.595 3.371 -34.907 1.00 0.00 H new ATOM 0 HD1 TYR A 12 38.886 2.204 -33.253 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.750 3.591 -32.116 1.00 0.00 H new ATOM 0 HE1 TYR A 12 38.163 2.292 -30.908 1.00 0.00 H new ATOM 0 HE2 TYR A 12 42.030 3.678 -29.768 1.00 0.00 H new ATOM 0 HH TYR A 12 39.606 3.974 -28.589 1.00 0.00 H new ATOM 172 N SER A 13 40.695 2.181 -37.000 1.00 0.00 N ATOM 173 CA SER A 13 40.706 2.311 -38.450 1.00 0.00 C ATOM 174 C SER A 13 40.468 3.760 -38.863 1.00 0.00 C ATOM 175 O SER A 13 39.832 4.526 -38.140 1.00 0.00 O ATOM 176 CB SER A 13 39.644 1.406 -39.071 1.00 0.00 C ATOM 177 OG SER A 13 40.121 0.079 -39.210 1.00 0.00 O ATOM 0 H SER A 13 39.936 2.681 -36.538 1.00 0.00 H new ATOM 0 HA SER A 13 41.687 2.005 -38.814 1.00 0.00 H new ATOM 0 HB2 SER A 13 38.749 1.411 -38.449 1.00 0.00 H new ATOM 0 HB3 SER A 13 39.355 1.796 -40.047 1.00 0.00 H new ATOM 0 HG SER A 13 39.422 -0.480 -39.608 1.00 0.00 H new ATOM 183 N VAL A 14 40.988 4.129 -40.028 1.00 0.00 N ATOM 184 CA VAL A 14 40.839 5.487 -40.538 1.00 0.00 C ATOM 185 C VAL A 14 39.389 5.957 -40.462 1.00 0.00 C ATOM 186 O VAL A 14 38.638 5.845 -41.431 1.00 0.00 O ATOM 187 CB VAL A 14 41.326 5.591 -41.995 1.00 0.00 C ATOM 188 CG1 VAL A 14 40.780 4.439 -42.823 1.00 0.00 C ATOM 189 CG2 VAL A 14 40.927 6.930 -42.600 1.00 0.00 C ATOM 0 H VAL A 14 41.517 3.506 -40.638 1.00 0.00 H new ATOM 0 HA VAL A 14 41.453 6.129 -39.906 1.00 0.00 H new ATOM 0 HB VAL A 14 42.414 5.528 -42.000 1.00 0.00 H new ATOM 0 HG11 VAL A 14 41.134 4.529 -43.850 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.123 3.494 -42.402 1.00 0.00 H new ATOM 0 HG13 VAL A 14 39.690 4.467 -42.812 1.00 0.00 H new ATOM 0 HG21 VAL A 14 41.280 6.984 -43.630 1.00 0.00 H new ATOM 0 HG22 VAL A 14 39.842 7.028 -42.583 1.00 0.00 H new ATOM 0 HG23 VAL A 14 41.373 7.738 -42.021 1.00 0.00 H new ATOM 199 N GLY A 15 39.006 6.492 -39.306 1.00 0.00 N ATOM 200 CA GLY A 15 37.651 6.981 -39.128 1.00 0.00 C ATOM 201 C GLY A 15 36.808 6.087 -38.238 1.00 0.00 C ATOM 202 O GLY A 15 35.600 5.965 -38.442 1.00 0.00 O ATOM 0 H GLY A 15 39.610 6.595 -38.490 1.00 0.00 H new ATOM 0 HA2 GLY A 15 37.686 7.982 -38.699 1.00 0.00 H new ATOM 0 HA3 GLY A 15 37.172 7.069 -40.103 1.00 0.00 H new ATOM 206 N MET A 16 37.438 5.467 -37.246 1.00 0.00 N ATOM 207 CA MET A 16 36.726 4.589 -36.325 1.00 0.00 C ATOM 208 C MET A 16 36.096 5.394 -35.194 1.00 0.00 C ATOM 209 O MET A 16 35.008 5.068 -34.716 1.00 0.00 O ATOM 210 CB MET A 16 37.673 3.537 -35.749 1.00 0.00 C ATOM 211 CG MET A 16 37.466 2.148 -36.332 1.00 0.00 C ATOM 212 SD MET A 16 36.348 1.140 -35.339 1.00 0.00 S ATOM 213 CE MET A 16 37.504 0.001 -34.583 1.00 0.00 C ATOM 0 H MET A 16 38.437 5.556 -37.060 1.00 0.00 H new ATOM 0 HA MET A 16 35.934 4.086 -36.880 1.00 0.00 H new ATOM 0 HB2 MET A 16 38.702 3.848 -35.930 1.00 0.00 H new ATOM 0 HB3 MET A 16 37.539 3.492 -34.668 1.00 0.00 H new ATOM 0 HG2 MET A 16 37.068 2.238 -37.343 1.00 0.00 H new ATOM 0 HG3 MET A 16 38.429 1.644 -36.412 1.00 0.00 H new ATOM 0 HE1 MET A 16 37.098 -1.010 -34.624 1.00 0.00 H new ATOM 0 HE2 MET A 16 38.451 0.034 -35.121 1.00 0.00 H new ATOM 0 HE3 MET A 16 37.667 0.285 -33.543 1.00 0.00 H new ATOM 223 N GLN A 17 36.786 6.448 -34.773 1.00 0.00 N ATOM 224 CA GLN A 17 36.298 7.304 -33.700 1.00 0.00 C ATOM 225 C GLN A 17 36.125 6.514 -32.407 1.00 0.00 C ATOM 226 O GLN A 17 35.388 5.530 -32.364 1.00 0.00 O ATOM 227 CB GLN A 17 34.968 7.949 -34.100 1.00 0.00 C ATOM 228 CG GLN A 17 35.051 9.458 -34.271 1.00 0.00 C ATOM 229 CD GLN A 17 33.693 10.127 -34.197 1.00 0.00 C ATOM 230 OE1 GLN A 17 32.658 9.476 -34.338 1.00 0.00 O ATOM 231 NE2 GLN A 17 33.691 11.437 -33.976 1.00 0.00 N ATOM 0 H GLN A 17 37.687 6.730 -35.160 1.00 0.00 H new ATOM 0 HA GLN A 17 37.037 8.086 -33.529 1.00 0.00 H new ATOM 0 HB2 GLN A 17 34.624 7.504 -35.034 1.00 0.00 H new ATOM 0 HB3 GLN A 17 34.219 7.718 -33.342 1.00 0.00 H new ATOM 0 HG2 GLN A 17 35.699 9.873 -33.499 1.00 0.00 H new ATOM 0 HG3 GLN A 17 35.513 9.687 -35.231 1.00 0.00 H new ATOM 0 HE21 GLN A 17 34.573 11.937 -33.865 1.00 0.00 H new ATOM 0 HE22 GLN A 17 32.807 11.943 -33.917 1.00 0.00 H new ATOM 240 N TRP A 18 36.810 6.954 -31.356 1.00 0.00 N ATOM 241 CA TRP A 18 36.731 6.288 -30.062 1.00 0.00 C ATOM 242 C TRP A 18 36.948 7.284 -28.925 1.00 0.00 C ATOM 243 O TRP A 18 37.150 8.475 -29.162 1.00 0.00 O ATOM 244 CB TRP A 18 37.759 5.158 -29.981 1.00 0.00 C ATOM 245 CG TRP A 18 39.159 5.634 -29.745 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.745 5.887 -28.539 1.00 0.00 C ATOM 247 CD2 TRP A 18 40.154 5.910 -30.740 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.042 6.302 -28.720 1.00 0.00 N ATOM 249 CE2 TRP A 18 41.317 6.325 -30.062 1.00 0.00 C ATOM 250 CE3 TRP A 18 40.176 5.848 -32.137 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.486 6.671 -30.735 1.00 0.00 C ATOM 252 CZ3 TRP A 18 41.337 6.193 -32.801 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.478 6.600 -32.100 1.00 0.00 C ATOM 0 H TRP A 18 37.425 7.768 -31.376 1.00 0.00 H new ATOM 0 HA TRP A 18 35.733 5.862 -29.958 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.476 4.478 -29.178 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.731 4.586 -30.908 1.00 0.00 H new ATOM 0 HD1 TRP A 18 39.259 5.777 -27.581 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.694 6.552 -27.977 1.00 0.00 H new ATOM 0 HE3 TRP A 18 39.301 5.536 -32.687 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 43.368 6.985 -30.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 41.365 6.148 -33.880 1.00 0.00 H new ATOM 0 HH2 TRP A 18 43.370 6.863 -32.649 1.00 0.00 H new ATOM 264 N LEU A 19 36.897 6.792 -27.691 1.00 0.00 N ATOM 265 CA LEU A 19 37.081 7.648 -26.524 1.00 0.00 C ATOM 266 C LEU A 19 38.010 7.001 -25.501 1.00 0.00 C ATOM 267 O LEU A 19 38.023 5.781 -25.341 1.00 0.00 O ATOM 268 CB LEU A 19 35.728 7.952 -25.877 1.00 0.00 C ATOM 269 CG LEU A 19 35.786 8.875 -24.658 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.426 10.299 -25.049 1.00 0.00 C ATOM 271 CD2 LEU A 19 34.855 8.372 -23.565 1.00 0.00 C ATOM 0 H LEU A 19 36.731 5.809 -27.474 1.00 0.00 H new ATOM 0 HA LEU A 19 37.541 8.578 -26.860 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.078 8.405 -26.626 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.265 7.011 -25.580 1.00 0.00 H new ATOM 0 HG LEU A 19 36.805 8.872 -24.272 1.00 0.00 H new ATOM 0 HD11 LEU A 19 35.473 10.941 -24.169 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.130 10.659 -25.799 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.417 10.319 -25.460 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.909 9.040 -22.705 1.00 0.00 H new ATOM 0 HD22 LEU A 19 33.832 8.346 -23.941 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.156 7.369 -23.264 1.00 0.00 H new ATOM 283 N LYS A 20 38.782 7.833 -24.808 1.00 0.00 N ATOM 284 CA LYS A 20 39.716 7.350 -23.795 1.00 0.00 C ATOM 285 C LYS A 20 39.925 8.399 -22.705 1.00 0.00 C ATOM 286 O LYS A 20 39.162 9.357 -22.600 1.00 0.00 O ATOM 287 CB LYS A 20 41.056 6.990 -24.438 1.00 0.00 C ATOM 288 CG LYS A 20 41.784 8.183 -25.033 1.00 0.00 C ATOM 289 CD LYS A 20 43.192 7.815 -25.465 1.00 0.00 C ATOM 290 CE LYS A 20 44.158 7.835 -24.290 1.00 0.00 C ATOM 291 NZ LYS A 20 44.997 6.606 -24.239 1.00 0.00 N ATOM 0 H LYS A 20 38.779 8.846 -24.929 1.00 0.00 H new ATOM 0 HA LYS A 20 39.290 6.457 -23.338 1.00 0.00 H new ATOM 0 HB2 LYS A 20 41.695 6.521 -23.689 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.887 6.250 -25.221 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.226 8.561 -25.890 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.826 8.988 -24.300 1.00 0.00 H new ATOM 0 HD2 LYS A 20 43.188 6.823 -25.917 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.533 8.513 -26.230 1.00 0.00 H new ATOM 0 HE2 LYS A 20 44.802 8.711 -24.365 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.597 7.930 -23.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 45.641 6.659 -23.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.384 5.771 -24.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 45.552 6.528 -25.115 1.00 0.00 H new ATOM 379 N GLN A 26 37.430 11.863 -19.010 1.00 0.00 N ATOM 380 CA GLN A 26 37.150 11.134 -20.239 1.00 0.00 C ATOM 381 C GLN A 26 37.409 12.010 -21.459 1.00 0.00 C ATOM 382 O GLN A 26 36.721 13.006 -21.677 1.00 0.00 O ATOM 383 CB GLN A 26 35.702 10.644 -20.249 1.00 0.00 C ATOM 384 CG GLN A 26 35.508 9.298 -19.571 1.00 0.00 C ATOM 385 CD GLN A 26 36.125 8.156 -20.356 1.00 0.00 C ATOM 386 OE1 GLN A 26 37.270 8.237 -20.798 1.00 0.00 O ATOM 387 NE2 GLN A 26 35.363 7.082 -20.533 1.00 0.00 N ATOM 0 HA GLN A 26 37.817 10.273 -20.281 1.00 0.00 H new ATOM 0 HB2 GLN A 26 35.074 11.384 -19.754 1.00 0.00 H new ATOM 0 HB3 GLN A 26 35.359 10.574 -21.281 1.00 0.00 H new ATOM 0 HG2 GLN A 26 35.950 9.330 -18.575 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.442 9.111 -19.441 1.00 0.00 H new ATOM 0 HE21 GLN A 26 34.418 7.058 -20.149 1.00 0.00 H new ATOM 0 HE22 GLN A 26 35.723 6.282 -21.053 1.00 0.00 H new ATOM 396 N MET A 27 38.401 11.626 -22.252 1.00 0.00 N ATOM 397 CA MET A 27 38.752 12.366 -23.457 1.00 0.00 C ATOM 398 C MET A 27 38.431 11.532 -24.695 1.00 0.00 C ATOM 399 O MET A 27 38.424 10.303 -24.635 1.00 0.00 O ATOM 400 CB MET A 27 40.233 12.744 -23.430 1.00 0.00 C ATOM 401 CG MET A 27 40.677 13.569 -24.623 1.00 0.00 C ATOM 402 SD MET A 27 41.921 12.727 -25.619 1.00 0.00 S ATOM 403 CE MET A 27 43.285 13.882 -25.502 1.00 0.00 C ATOM 0 H MET A 27 38.979 10.803 -22.081 1.00 0.00 H new ATOM 0 HA MET A 27 38.164 13.283 -23.496 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.439 13.303 -22.517 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.830 11.833 -23.388 1.00 0.00 H new ATOM 0 HG2 MET A 27 39.812 13.797 -25.245 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.079 14.520 -24.274 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.109 13.536 -26.126 1.00 0.00 H new ATOM 0 HE2 MET A 27 42.960 14.865 -25.842 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.618 13.948 -24.466 1.00 0.00 H new ATOM 413 N LEU A 28 38.144 12.199 -25.809 1.00 0.00 N ATOM 414 CA LEU A 28 37.799 11.495 -27.043 1.00 0.00 C ATOM 415 C LEU A 28 38.925 11.554 -28.069 1.00 0.00 C ATOM 416 O LEU A 28 39.375 12.633 -28.451 1.00 0.00 O ATOM 417 CB LEU A 28 36.525 12.084 -27.647 1.00 0.00 C ATOM 418 CG LEU A 28 36.040 11.388 -28.919 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.736 10.655 -28.656 1.00 0.00 C ATOM 420 CD2 LEU A 28 35.872 12.395 -30.045 1.00 0.00 C ATOM 0 H LEU A 28 38.143 13.216 -25.885 1.00 0.00 H new ATOM 0 HA LEU A 28 37.636 10.449 -26.784 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.732 12.041 -26.901 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.697 13.137 -27.869 1.00 0.00 H new ATOM 0 HG LEU A 28 36.790 10.658 -29.223 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.403 10.165 -29.571 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.890 9.907 -27.878 1.00 0.00 H new ATOM 0 HD13 LEU A 28 33.978 11.367 -28.330 1.00 0.00 H new ATOM 0 HD21 LEU A 28 35.526 11.883 -30.943 1.00 0.00 H new ATOM 0 HD22 LEU A 28 35.141 13.149 -29.753 1.00 0.00 H new ATOM 0 HD23 LEU A 28 36.828 12.877 -30.248 1.00 0.00 H new ATOM 432 N CYS A 29 39.357 10.381 -28.524 1.00 0.00 N ATOM 433 CA CYS A 29 40.417 10.283 -29.523 1.00 0.00 C ATOM 434 C CYS A 29 39.838 9.865 -30.873 1.00 0.00 C ATOM 435 O CYS A 29 38.988 8.976 -30.942 1.00 0.00 O ATOM 436 CB CYS A 29 41.476 9.271 -29.079 1.00 0.00 C ATOM 437 SG CYS A 29 42.855 9.992 -28.131 1.00 0.00 S ATOM 0 H CYS A 29 38.988 9.482 -28.215 1.00 0.00 H new ATOM 0 HA CYS A 29 40.884 11.263 -29.625 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.996 8.504 -28.472 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.879 8.774 -29.962 1.00 0.00 H new ATOM 442 N THR A 30 40.297 10.507 -31.942 1.00 0.00 N ATOM 443 CA THR A 30 39.813 10.191 -33.284 1.00 0.00 C ATOM 444 C THR A 30 40.950 10.143 -34.292 1.00 0.00 C ATOM 445 O THR A 30 41.901 10.921 -34.209 1.00 0.00 O ATOM 446 CB THR A 30 38.783 11.225 -33.777 1.00 0.00 C ATOM 447 OG1 THR A 30 37.672 11.284 -32.875 1.00 0.00 O ATOM 448 CG2 THR A 30 38.294 10.871 -35.174 1.00 0.00 C ATOM 0 H THR A 30 41.000 11.246 -31.908 1.00 0.00 H new ATOM 0 HA THR A 30 39.343 9.210 -33.210 1.00 0.00 H new ATOM 0 HB THR A 30 39.268 12.201 -33.813 1.00 0.00 H new ATOM 0 HG1 THR A 30 37.024 11.945 -33.197 1.00 0.00 H new ATOM 0 HG21 THR A 30 37.567 11.613 -35.504 1.00 0.00 H new ATOM 0 HG22 THR A 30 39.139 10.859 -35.863 1.00 0.00 H new ATOM 0 HG23 THR A 30 37.825 9.887 -35.157 1.00 0.00 H new ATOM 456 N CYS A 31 40.834 9.241 -35.258 1.00 0.00 N ATOM 457 CA CYS A 31 41.843 9.114 -36.296 1.00 0.00 C ATOM 458 C CYS A 31 41.290 9.607 -37.626 1.00 0.00 C ATOM 459 O CYS A 31 40.400 8.990 -38.213 1.00 0.00 O ATOM 460 CB CYS A 31 42.325 7.671 -36.423 1.00 0.00 C ATOM 461 SG CYS A 31 41.001 6.425 -36.469 1.00 0.00 S ATOM 0 H CYS A 31 40.054 8.590 -35.343 1.00 0.00 H new ATOM 0 HA CYS A 31 42.698 9.729 -36.017 1.00 0.00 H new ATOM 0 HB2 CYS A 31 42.921 7.581 -37.331 1.00 0.00 H new ATOM 0 HB3 CYS A 31 42.985 7.448 -35.585 1.00 0.00 H new ATOM 466 N LEU A 32 41.818 10.732 -38.084 1.00 0.00 N ATOM 467 CA LEU A 32 41.377 11.333 -39.338 1.00 0.00 C ATOM 468 C LEU A 32 42.004 10.623 -40.534 1.00 0.00 C ATOM 469 O LEU A 32 41.487 9.609 -41.004 1.00 0.00 O ATOM 470 CB LEU A 32 41.726 12.827 -39.367 1.00 0.00 C ATOM 471 CG LEU A 32 42.877 13.247 -38.448 1.00 0.00 C ATOM 472 CD1 LEU A 32 43.627 14.435 -39.030 1.00 0.00 C ATOM 473 CD2 LEU A 32 42.352 13.573 -37.056 1.00 0.00 C ATOM 0 H LEU A 32 42.555 11.250 -37.606 1.00 0.00 H new ATOM 0 HA LEU A 32 40.295 11.222 -39.403 1.00 0.00 H new ATOM 0 HB2 LEU A 32 41.980 13.104 -40.390 1.00 0.00 H new ATOM 0 HB3 LEU A 32 40.838 13.396 -39.093 1.00 0.00 H new ATOM 0 HG LEU A 32 43.574 12.413 -38.368 1.00 0.00 H new ATOM 0 HD11 LEU A 32 44.440 14.716 -38.360 1.00 0.00 H new ATOM 0 HD12 LEU A 32 44.036 14.166 -40.004 1.00 0.00 H new ATOM 0 HD13 LEU A 32 42.944 15.277 -39.144 1.00 0.00 H new ATOM 0 HD21 LEU A 32 43.182 13.870 -36.414 1.00 0.00 H new ATOM 0 HD22 LEU A 32 41.633 14.390 -37.120 1.00 0.00 H new ATOM 0 HD23 LEU A 32 41.865 12.693 -36.636 1.00 0.00 H new ATOM 485 N GLY A 33 43.119 11.155 -41.023 1.00 0.00 N ATOM 486 CA GLY A 33 43.789 10.551 -42.160 1.00 0.00 C ATOM 487 C GLY A 33 45.296 10.548 -42.006 1.00 0.00 C ATOM 488 O GLY A 33 45.967 9.597 -42.405 1.00 0.00 O ATOM 0 H GLY A 33 43.570 11.992 -40.653 1.00 0.00 H new ATOM 0 HA2 GLY A 33 43.437 9.527 -42.284 1.00 0.00 H new ATOM 0 HA3 GLY A 33 43.520 11.093 -43.067 1.00 0.00 H new ATOM 492 N ASN A 34 45.828 11.616 -41.422 1.00 0.00 N ATOM 493 CA ASN A 34 47.264 11.738 -41.212 1.00 0.00 C ATOM 494 C ASN A 34 47.664 11.179 -39.852 1.00 0.00 C ATOM 495 O ASN A 34 48.721 10.565 -39.708 1.00 0.00 O ATOM 496 CB ASN A 34 47.692 13.202 -41.321 1.00 0.00 C ATOM 497 CG ASN A 34 47.087 14.060 -40.228 1.00 0.00 C ATOM 498 OD1 ASN A 34 46.055 13.716 -39.652 1.00 0.00 O ATOM 499 ND2 ASN A 34 47.728 15.185 -39.937 1.00 0.00 N ATOM 0 H ASN A 34 45.284 12.411 -41.085 1.00 0.00 H new ATOM 0 HA ASN A 34 47.770 11.160 -41.985 1.00 0.00 H new ATOM 0 HB2 ASN A 34 48.779 13.265 -41.270 1.00 0.00 H new ATOM 0 HB3 ASN A 34 47.395 13.594 -42.294 1.00 0.00 H new ATOM 0 HD21 ASN A 34 47.368 15.804 -39.210 1.00 0.00 H new ATOM 0 HD22 ASN A 34 48.581 15.431 -40.440 1.00 0.00 H new ATOM 506 N GLY A 35 46.811 11.396 -38.855 1.00 0.00 N ATOM 507 CA GLY A 35 47.096 10.908 -37.519 1.00 0.00 C ATOM 508 C GLY A 35 45.846 10.742 -36.676 1.00 0.00 C ATOM 509 O GLY A 35 44.773 10.439 -37.196 1.00 0.00 O ATOM 0 H GLY A 35 45.929 11.900 -38.949 1.00 0.00 H new ATOM 0 HA2 GLY A 35 47.612 9.950 -37.589 1.00 0.00 H new ATOM 0 HA3 GLY A 35 47.775 11.600 -37.021 1.00 0.00 H new ATOM 513 N VAL A 36 45.989 10.942 -35.369 1.00 0.00 N ATOM 514 CA VAL A 36 44.868 10.815 -34.445 1.00 0.00 C ATOM 515 C VAL A 36 44.702 12.091 -33.620 1.00 0.00 C ATOM 516 O VAL A 36 45.585 12.461 -32.845 1.00 0.00 O ATOM 517 CB VAL A 36 45.051 9.599 -33.501 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.291 9.785 -32.193 1.00 0.00 C ATOM 519 CG2 VAL A 36 44.606 8.322 -34.193 1.00 0.00 C ATOM 0 H VAL A 36 46.873 11.193 -34.926 1.00 0.00 H new ATOM 0 HA VAL A 36 43.969 10.656 -35.040 1.00 0.00 H new ATOM 0 HB VAL A 36 46.111 9.522 -33.261 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.443 8.913 -31.557 1.00 0.00 H new ATOM 0 HG12 VAL A 36 44.658 10.675 -31.682 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.228 9.900 -32.403 1.00 0.00 H new ATOM 0 HG21 VAL A 36 44.740 7.477 -33.518 1.00 0.00 H new ATOM 0 HG22 VAL A 36 43.554 8.404 -34.467 1.00 0.00 H new ATOM 0 HG23 VAL A 36 45.204 8.168 -35.091 1.00 0.00 H new ATOM 529 N SER A 37 43.565 12.756 -33.793 1.00 0.00 N ATOM 530 CA SER A 37 43.280 13.987 -33.065 1.00 0.00 C ATOM 531 C SER A 37 42.187 13.758 -32.026 1.00 0.00 C ATOM 532 O SER A 37 41.061 13.398 -32.366 1.00 0.00 O ATOM 533 CB SER A 37 42.858 15.092 -34.033 1.00 0.00 C ATOM 534 OG SER A 37 42.312 16.199 -33.336 1.00 0.00 O ATOM 0 H SER A 37 42.825 12.463 -34.431 1.00 0.00 H new ATOM 0 HA SER A 37 44.189 14.297 -32.550 1.00 0.00 H new ATOM 0 HB2 SER A 37 43.719 15.415 -34.618 1.00 0.00 H new ATOM 0 HB3 SER A 37 42.122 14.702 -34.736 1.00 0.00 H new ATOM 0 HG SER A 37 42.051 16.893 -33.977 1.00 0.00 H new ATOM 540 N CYS A 38 42.528 13.967 -30.760 1.00 0.00 N ATOM 541 CA CYS A 38 41.574 13.781 -29.673 1.00 0.00 C ATOM 542 C CYS A 38 41.139 15.119 -29.089 1.00 0.00 C ATOM 543 O CYS A 38 41.853 16.117 -29.196 1.00 0.00 O ATOM 544 CB CYS A 38 42.187 12.911 -28.576 1.00 0.00 C ATOM 545 SG CYS A 38 43.354 11.654 -29.184 1.00 0.00 S ATOM 0 H CYS A 38 43.457 14.265 -30.461 1.00 0.00 H new ATOM 0 HA CYS A 38 40.694 13.282 -30.079 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.703 13.555 -27.863 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.384 12.413 -28.032 1.00 0.00 H new ATOM 550 N GLN A 39 39.964 15.132 -28.468 1.00 0.00 N ATOM 551 CA GLN A 39 39.433 16.346 -27.862 1.00 0.00 C ATOM 552 C GLN A 39 38.947 16.074 -26.442 1.00 0.00 C ATOM 553 O GLN A 39 37.950 15.382 -26.239 1.00 0.00 O ATOM 554 CB GLN A 39 38.289 16.909 -28.706 1.00 0.00 C ATOM 555 CG GLN A 39 37.560 15.856 -29.524 1.00 0.00 C ATOM 556 CD GLN A 39 36.156 16.286 -29.906 1.00 0.00 C ATOM 557 OE1 GLN A 39 35.225 15.481 -29.901 1.00 0.00 O ATOM 558 NE2 GLN A 39 35.999 17.561 -30.241 1.00 0.00 N ATOM 0 H GLN A 39 39.362 14.315 -28.372 1.00 0.00 H new ATOM 0 HA GLN A 39 40.236 17.082 -27.820 1.00 0.00 H new ATOM 0 HB2 GLN A 39 37.575 17.406 -28.049 1.00 0.00 H new ATOM 0 HB3 GLN A 39 38.685 17.669 -29.379 1.00 0.00 H new ATOM 0 HG2 GLN A 39 38.130 15.644 -30.428 1.00 0.00 H new ATOM 0 HG3 GLN A 39 37.510 14.928 -28.954 1.00 0.00 H new ATOM 0 HE21 GLN A 39 36.799 18.193 -30.231 1.00 0.00 H new ATOM 0 HE22 GLN A 39 35.078 17.908 -30.508 1.00 0.00 H new ATOM 636 N GLN A 45 28.495 18.903 -15.378 1.00 0.00 N ATOM 637 CA GLN A 45 27.149 18.768 -14.833 1.00 0.00 C ATOM 638 C GLN A 45 26.107 19.343 -15.786 1.00 0.00 C ATOM 639 O GLN A 45 26.405 19.647 -16.941 1.00 0.00 O ATOM 640 CB GLN A 45 27.051 19.476 -13.480 1.00 0.00 C ATOM 641 CG GLN A 45 26.952 20.987 -13.595 1.00 0.00 C ATOM 642 CD GLN A 45 26.476 21.642 -12.312 1.00 0.00 C ATOM 643 OE1 GLN A 45 27.235 21.781 -11.354 1.00 0.00 O ATOM 644 NE2 GLN A 45 25.212 22.050 -12.290 1.00 0.00 N ATOM 0 HA GLN A 45 26.949 17.705 -14.702 1.00 0.00 H new ATOM 0 HB2 GLN A 45 26.178 19.102 -12.945 1.00 0.00 H new ATOM 0 HB3 GLN A 45 27.925 19.221 -12.881 1.00 0.00 H new ATOM 0 HG2 GLN A 45 27.928 21.391 -13.864 1.00 0.00 H new ATOM 0 HG3 GLN A 45 26.267 21.242 -14.404 1.00 0.00 H new ATOM 0 HE21 GLN A 45 24.618 21.914 -13.108 1.00 0.00 H new ATOM 0 HE22 GLN A 45 24.836 22.499 -11.455 1.00 0.00 H new ATOM 653 N THR A 46 24.882 19.489 -15.289 1.00 0.00 N ATOM 654 CA THR A 46 23.790 20.030 -16.089 1.00 0.00 C ATOM 655 C THR A 46 22.891 20.933 -15.247 1.00 0.00 C ATOM 656 O THR A 46 22.842 20.807 -14.024 1.00 0.00 O ATOM 657 CB THR A 46 22.932 18.909 -16.705 1.00 0.00 C ATOM 658 OG1 THR A 46 22.687 17.887 -15.732 1.00 0.00 O ATOM 659 CG2 THR A 46 23.620 18.305 -17.920 1.00 0.00 C ATOM 0 H THR A 46 24.621 19.240 -14.335 1.00 0.00 H new ATOM 0 HA THR A 46 24.244 20.612 -16.891 1.00 0.00 H new ATOM 0 HB THR A 46 21.984 19.342 -17.023 1.00 0.00 H new ATOM 0 HG1 THR A 46 21.750 17.924 -15.448 1.00 0.00 H new ATOM 0 HG21 THR A 46 22.995 17.516 -18.337 1.00 0.00 H new ATOM 0 HG22 THR A 46 23.777 19.079 -18.671 1.00 0.00 H new ATOM 0 HG23 THR A 46 24.582 17.887 -17.623 1.00 0.00 H new ATOM 667 N TYR A 47 22.184 21.842 -15.910 1.00 0.00 N ATOM 668 CA TYR A 47 21.289 22.763 -15.218 1.00 0.00 C ATOM 669 C TYR A 47 20.225 23.310 -16.164 1.00 0.00 C ATOM 670 O TYR A 47 20.539 23.839 -17.229 1.00 0.00 O ATOM 671 CB TYR A 47 22.088 23.917 -14.608 1.00 0.00 C ATOM 672 CG TYR A 47 22.840 24.742 -15.630 1.00 0.00 C ATOM 673 CD1 TYR A 47 22.176 25.658 -16.436 1.00 0.00 C ATOM 674 CD2 TYR A 47 24.213 24.603 -15.789 1.00 0.00 C ATOM 675 CE1 TYR A 47 22.859 26.413 -17.370 1.00 0.00 C ATOM 676 CE2 TYR A 47 24.903 25.354 -16.720 1.00 0.00 C ATOM 677 CZ TYR A 47 24.222 26.257 -17.509 1.00 0.00 C ATOM 678 OH TYR A 47 24.905 27.008 -18.438 1.00 0.00 O ATOM 0 H TYR A 47 22.213 21.961 -16.923 1.00 0.00 H new ATOM 0 HA TYR A 47 20.788 22.212 -14.422 1.00 0.00 H new ATOM 0 HB2 TYR A 47 21.408 24.567 -14.058 1.00 0.00 H new ATOM 0 HB3 TYR A 47 22.798 23.514 -13.886 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.108 25.782 -16.331 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.750 23.896 -15.174 1.00 0.00 H new ATOM 0 HE1 TYR A 47 22.328 27.122 -17.988 1.00 0.00 H new ATOM 0 HE2 TYR A 47 25.971 25.235 -16.830 1.00 0.00 H new ATOM 0 HH TYR A 47 25.857 26.778 -18.408 1.00 0.00 H new ATOM 688 N GLY A 48 18.964 23.181 -15.765 1.00 0.00 N ATOM 689 CA GLY A 48 17.871 23.669 -16.586 1.00 0.00 C ATOM 690 C GLY A 48 17.674 22.847 -17.844 1.00 0.00 C ATOM 691 O GLY A 48 17.557 21.623 -17.782 1.00 0.00 O ATOM 0 H GLY A 48 18.679 22.747 -14.887 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.951 23.659 -16.002 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.063 24.706 -16.861 1.00 0.00 H new ATOM 695 N GLY A 49 17.635 23.522 -18.989 1.00 0.00 N ATOM 696 CA GLY A 49 17.448 22.829 -20.249 1.00 0.00 C ATOM 697 C GLY A 49 16.002 22.439 -20.483 1.00 0.00 C ATOM 698 O GLY A 49 15.104 23.275 -20.393 1.00 0.00 O ATOM 0 H GLY A 49 17.729 24.535 -19.066 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.786 23.467 -21.065 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.070 21.934 -20.265 1.00 0.00 H new ATOM 702 N ASN A 50 15.776 21.164 -20.780 1.00 0.00 N ATOM 703 CA ASN A 50 14.428 20.666 -21.023 1.00 0.00 C ATOM 704 C ASN A 50 14.049 19.606 -19.995 1.00 0.00 C ATOM 705 O ASN A 50 12.874 19.282 -19.826 1.00 0.00 O ATOM 706 CB ASN A 50 14.321 20.086 -22.435 1.00 0.00 C ATOM 707 CG ASN A 50 12.979 20.377 -23.077 1.00 0.00 C ATOM 708 OD1 ASN A 50 11.988 19.699 -22.807 1.00 0.00 O ATOM 709 ND2 ASN A 50 12.940 21.390 -23.935 1.00 0.00 N ATOM 0 H ASN A 50 16.508 20.458 -20.858 1.00 0.00 H new ATOM 0 HA ASN A 50 13.736 21.503 -20.930 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.116 20.499 -23.056 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.476 19.008 -22.395 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.064 21.632 -24.399 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.786 21.926 -24.130 1.00 0.00 H new ATOM 716 N SER A 51 15.054 19.071 -19.309 1.00 0.00 N ATOM 717 CA SER A 51 14.826 18.048 -18.296 1.00 0.00 C ATOM 718 C SER A 51 15.240 18.546 -16.913 1.00 0.00 C ATOM 719 O SER A 51 15.432 17.755 -15.991 1.00 0.00 O ATOM 720 CB SER A 51 15.599 16.776 -18.644 1.00 0.00 C ATOM 721 OG SER A 51 14.848 15.619 -18.325 1.00 0.00 O ATOM 0 H SER A 51 16.033 19.329 -19.436 1.00 0.00 H new ATOM 0 HA SER A 51 13.759 17.824 -18.277 1.00 0.00 H new ATOM 0 HB2 SER A 51 15.842 16.774 -19.707 1.00 0.00 H new ATOM 0 HB3 SER A 51 16.544 16.761 -18.101 1.00 0.00 H new ATOM 0 HG SER A 51 15.289 14.829 -18.701 1.00 0.00 H new ATOM 727 N ASN A 52 15.373 19.862 -16.779 1.00 0.00 N ATOM 728 CA ASN A 52 15.761 20.467 -15.508 1.00 0.00 C ATOM 729 C ASN A 52 17.197 20.102 -15.140 1.00 0.00 C ATOM 730 O ASN A 52 17.665 20.413 -14.045 1.00 0.00 O ATOM 731 CB ASN A 52 14.804 20.022 -14.398 1.00 0.00 C ATOM 732 CG ASN A 52 15.315 20.375 -13.015 1.00 0.00 C ATOM 733 OD1 ASN A 52 16.059 19.610 -12.402 1.00 0.00 O ATOM 734 ND2 ASN A 52 14.916 21.539 -12.516 1.00 0.00 N ATOM 0 H ASN A 52 15.218 20.530 -17.534 1.00 0.00 H new ATOM 0 HA ASN A 52 15.704 21.550 -15.617 1.00 0.00 H new ATOM 0 HB2 ASN A 52 13.831 20.489 -14.553 1.00 0.00 H new ATOM 0 HB3 ASN A 52 14.654 18.944 -14.462 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.227 21.830 -11.589 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.299 22.142 -13.060 1.00 0.00 H new ATOM 741 N GLY A 53 17.895 19.446 -16.062 1.00 0.00 N ATOM 742 CA GLY A 53 19.270 19.057 -15.810 1.00 0.00 C ATOM 743 C GLY A 53 19.419 17.570 -15.550 1.00 0.00 C ATOM 744 O GLY A 53 20.257 17.155 -14.750 1.00 0.00 O ATOM 0 H GLY A 53 17.534 19.177 -16.977 1.00 0.00 H new ATOM 0 HA2 GLY A 53 19.885 19.335 -16.666 1.00 0.00 H new ATOM 0 HA3 GLY A 53 19.649 19.612 -14.951 1.00 0.00 H new ATOM 748 N GLU A 54 18.608 16.767 -16.231 1.00 0.00 N ATOM 749 CA GLU A 54 18.657 15.317 -16.070 1.00 0.00 C ATOM 750 C GLU A 54 19.903 14.743 -16.735 1.00 0.00 C ATOM 751 O GLU A 54 20.515 15.385 -17.589 1.00 0.00 O ATOM 752 CB GLU A 54 17.405 14.671 -16.670 1.00 0.00 C ATOM 753 CG GLU A 54 16.141 14.884 -15.846 1.00 0.00 C ATOM 754 CD GLU A 54 16.428 15.240 -14.400 1.00 0.00 C ATOM 755 OE1 GLU A 54 17.022 16.312 -14.159 1.00 0.00 O ATOM 756 OE2 GLU A 54 16.058 14.447 -13.508 1.00 0.00 O ATOM 0 H GLU A 54 17.910 17.094 -16.899 1.00 0.00 H new ATOM 0 HA GLU A 54 18.696 15.095 -15.003 1.00 0.00 H new ATOM 0 HB2 GLU A 54 17.246 15.073 -17.671 1.00 0.00 H new ATOM 0 HB3 GLU A 54 17.578 13.601 -16.780 1.00 0.00 H new ATOM 0 HG2 GLU A 54 15.548 15.679 -16.299 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.536 13.978 -15.878 1.00 0.00 H new ATOM 763 N PRO A 55 20.291 13.517 -16.354 1.00 0.00 N ATOM 764 CA PRO A 55 21.465 12.848 -16.917 1.00 0.00 C ATOM 765 C PRO A 55 21.449 12.854 -18.441 1.00 0.00 C ATOM 766 O PRO A 55 20.388 12.769 -19.062 1.00 0.00 O ATOM 767 CB PRO A 55 21.365 11.409 -16.384 1.00 0.00 C ATOM 768 CG PRO A 55 20.002 11.295 -15.779 1.00 0.00 C ATOM 769 CD PRO A 55 19.620 12.683 -15.354 1.00 0.00 C ATOM 0 HA PRO A 55 22.391 13.349 -16.634 1.00 0.00 H new ATOM 0 HB2 PRO A 55 21.499 10.684 -17.187 1.00 0.00 H new ATOM 0 HB3 PRO A 55 22.140 11.211 -15.643 1.00 0.00 H new ATOM 0 HG2 PRO A 55 19.287 10.897 -16.500 1.00 0.00 H new ATOM 0 HG3 PRO A 55 20.009 10.614 -14.928 1.00 0.00 H new ATOM 0 HD2 PRO A 55 18.540 12.828 -15.364 1.00 0.00 H new ATOM 0 HD3 PRO A 55 19.962 12.907 -14.344 1.00 0.00 H new ATOM 777 N CYS A 56 22.629 12.961 -19.039 1.00 0.00 N ATOM 778 CA CYS A 56 22.751 12.985 -20.491 1.00 0.00 C ATOM 779 C CYS A 56 22.742 11.573 -21.068 1.00 0.00 C ATOM 780 O CYS A 56 22.626 10.591 -20.335 1.00 0.00 O ATOM 781 CB CYS A 56 24.032 13.713 -20.896 1.00 0.00 C ATOM 782 SG CYS A 56 24.365 15.223 -19.932 1.00 0.00 S ATOM 0 H CYS A 56 23.516 13.033 -18.540 1.00 0.00 H new ATOM 0 HA CYS A 56 21.892 13.519 -20.896 1.00 0.00 H new ATOM 0 HB2 CYS A 56 24.875 13.031 -20.786 1.00 0.00 H new ATOM 0 HB3 CYS A 56 23.970 13.975 -21.952 1.00 0.00 H new ATOM 787 N VAL A 57 22.860 11.481 -22.389 1.00 0.00 N ATOM 788 CA VAL A 57 22.859 10.192 -23.071 1.00 0.00 C ATOM 789 C VAL A 57 23.793 10.209 -24.275 1.00 0.00 C ATOM 790 O VAL A 57 23.361 10.007 -25.410 1.00 0.00 O ATOM 791 CB VAL A 57 21.445 9.808 -23.544 1.00 0.00 C ATOM 792 CG1 VAL A 57 20.991 10.722 -24.671 1.00 0.00 C ATOM 793 CG2 VAL A 57 21.408 8.351 -23.983 1.00 0.00 C ATOM 0 H VAL A 57 22.958 12.285 -23.009 1.00 0.00 H new ATOM 0 HA VAL A 57 23.208 9.453 -22.350 1.00 0.00 H new ATOM 0 HB VAL A 57 20.756 9.931 -22.708 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.990 10.435 -24.992 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.977 11.754 -24.320 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.680 10.634 -25.511 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.401 8.096 -24.314 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.109 8.200 -24.804 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.687 7.711 -23.146 1.00 0.00 H new ATOM 803 N LEU A 58 25.074 10.452 -24.024 1.00 0.00 N ATOM 804 CA LEU A 58 26.063 10.496 -25.094 1.00 0.00 C ATOM 805 C LEU A 58 26.988 9.285 -25.040 1.00 0.00 C ATOM 806 O LEU A 58 27.042 8.571 -24.038 1.00 0.00 O ATOM 807 CB LEU A 58 26.890 11.781 -25.014 1.00 0.00 C ATOM 808 CG LEU A 58 26.955 12.427 -23.631 1.00 0.00 C ATOM 809 CD1 LEU A 58 25.587 12.945 -23.224 1.00 0.00 C ATOM 810 CD2 LEU A 58 27.484 11.437 -22.603 1.00 0.00 C ATOM 0 H LEU A 58 25.451 10.621 -23.092 1.00 0.00 H new ATOM 0 HA LEU A 58 25.523 10.478 -26.041 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.906 11.562 -25.343 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.477 12.505 -25.716 1.00 0.00 H new ATOM 0 HG LEU A 58 27.643 13.272 -23.675 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.650 13.402 -22.237 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.249 13.688 -23.947 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.878 12.117 -23.196 1.00 0.00 H new ATOM 0 HD21 LEU A 58 27.523 11.915 -21.624 1.00 0.00 H new ATOM 0 HD22 LEU A 58 26.823 10.571 -22.558 1.00 0.00 H new ATOM 0 HD23 LEU A 58 28.485 11.115 -22.890 1.00 0.00 H new ATOM 822 N PRO A 59 27.731 9.043 -26.129 1.00 0.00 N ATOM 823 CA PRO A 59 27.677 9.883 -27.327 1.00 0.00 C ATOM 824 C PRO A 59 26.358 9.732 -28.075 1.00 0.00 C ATOM 825 O PRO A 59 25.829 8.628 -28.204 1.00 0.00 O ATOM 826 CB PRO A 59 28.836 9.374 -28.194 1.00 0.00 C ATOM 827 CG PRO A 59 29.634 8.466 -27.314 1.00 0.00 C ATOM 828 CD PRO A 59 28.680 7.938 -26.283 1.00 0.00 C ATOM 0 HA PRO A 59 27.754 10.941 -27.077 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.465 8.843 -29.070 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.445 10.201 -28.557 1.00 0.00 H new ATOM 0 HG2 PRO A 59 30.074 7.652 -27.891 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.457 9.004 -26.844 1.00 0.00 H new ATOM 0 HD2 PRO A 59 28.188 7.025 -26.617 1.00 0.00 H new ATOM 0 HD3 PRO A 59 29.185 7.704 -25.346 1.00 0.00 H new ATOM 836 N PHE A 60 25.833 10.847 -28.568 1.00 0.00 N ATOM 837 CA PHE A 60 24.576 10.837 -29.307 1.00 0.00 C ATOM 838 C PHE A 60 24.794 11.297 -30.744 1.00 0.00 C ATOM 839 O PHE A 60 25.928 11.514 -31.169 1.00 0.00 O ATOM 840 CB PHE A 60 23.547 11.737 -28.620 1.00 0.00 C ATOM 841 CG PHE A 60 24.096 13.078 -28.226 1.00 0.00 C ATOM 842 CD1 PHE A 60 24.090 14.134 -29.122 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.619 13.281 -26.959 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.597 15.368 -28.762 1.00 0.00 C ATOM 845 CE2 PHE A 60 25.128 14.512 -26.594 1.00 0.00 C ATOM 846 CZ PHE A 60 25.116 15.557 -27.497 1.00 0.00 C ATOM 0 H PHE A 60 26.258 11.769 -28.470 1.00 0.00 H new ATOM 0 HA PHE A 60 24.197 9.815 -29.322 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.699 11.882 -29.289 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.169 11.232 -27.731 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.685 13.991 -30.113 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.629 12.467 -26.249 1.00 0.00 H new ATOM 0 HE1 PHE A 60 24.587 16.184 -29.470 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.535 14.657 -25.604 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.512 16.521 -27.214 1.00 0.00 H new ATOM 856 N THR A 61 23.704 11.448 -31.488 1.00 0.00 N ATOM 857 CA THR A 61 23.787 11.886 -32.874 1.00 0.00 C ATOM 858 C THR A 61 22.889 13.089 -33.119 1.00 0.00 C ATOM 859 O THR A 61 21.695 13.058 -32.822 1.00 0.00 O ATOM 860 CB THR A 61 23.395 10.758 -33.846 1.00 0.00 C ATOM 861 OG1 THR A 61 23.596 9.482 -33.226 1.00 0.00 O ATOM 862 CG2 THR A 61 24.213 10.840 -35.126 1.00 0.00 C ATOM 0 H THR A 61 22.756 11.274 -31.155 1.00 0.00 H new ATOM 0 HA THR A 61 24.825 12.165 -33.058 1.00 0.00 H new ATOM 0 HB THR A 61 22.341 10.876 -34.098 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.342 8.771 -33.851 1.00 0.00 H new ATOM 0 HG21 THR A 61 23.919 10.033 -35.798 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.034 11.800 -35.611 1.00 0.00 H new ATOM 0 HG23 THR A 61 25.272 10.746 -34.887 1.00 0.00 H new ATOM 870 N TYR A 62 23.472 14.151 -33.661 1.00 0.00 N ATOM 871 CA TYR A 62 22.725 15.368 -33.944 1.00 0.00 C ATOM 872 C TYR A 62 23.323 16.109 -35.134 1.00 0.00 C ATOM 873 O TYR A 62 24.538 16.283 -35.222 1.00 0.00 O ATOM 874 CB TYR A 62 22.711 16.279 -32.718 1.00 0.00 C ATOM 875 CG TYR A 62 22.132 17.648 -32.989 1.00 0.00 C ATOM 876 CD1 TYR A 62 20.759 17.851 -33.010 1.00 0.00 C ATOM 877 CD2 TYR A 62 22.961 18.735 -33.226 1.00 0.00 C ATOM 878 CE1 TYR A 62 20.229 19.103 -33.262 1.00 0.00 C ATOM 879 CE2 TYR A 62 22.441 19.988 -33.476 1.00 0.00 C ATOM 880 CZ TYR A 62 21.074 20.168 -33.493 1.00 0.00 C ATOM 881 OH TYR A 62 20.552 21.417 -33.743 1.00 0.00 O ATOM 0 H TYR A 62 24.459 14.193 -33.913 1.00 0.00 H new ATOM 0 HA TYR A 62 21.701 15.086 -34.191 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.135 15.800 -31.926 1.00 0.00 H new ATOM 0 HB3 TYR A 62 23.730 16.391 -32.347 1.00 0.00 H new ATOM 0 HD1 TYR A 62 20.095 17.019 -32.827 1.00 0.00 H new ATOM 0 HD2 TYR A 62 24.032 18.598 -33.215 1.00 0.00 H new ATOM 0 HE1 TYR A 62 19.159 19.246 -33.278 1.00 0.00 H new ATOM 0 HE2 TYR A 62 23.101 20.823 -33.657 1.00 0.00 H new ATOM 0 HH TYR A 62 21.283 22.055 -33.883 1.00 0.00 H new ATOM 891 N ASN A 63 22.463 16.542 -36.048 1.00 0.00 N ATOM 892 CA ASN A 63 22.910 17.264 -37.233 1.00 0.00 C ATOM 893 C ASN A 63 23.615 16.329 -38.211 1.00 0.00 C ATOM 894 O ASN A 63 24.118 16.764 -39.247 1.00 0.00 O ATOM 895 CB ASN A 63 23.847 18.405 -36.834 1.00 0.00 C ATOM 896 CG ASN A 63 23.218 19.768 -37.039 1.00 0.00 C ATOM 897 OD1 ASN A 63 22.441 19.971 -37.971 1.00 0.00 O ATOM 898 ND2 ASN A 63 23.552 20.711 -36.165 1.00 0.00 N ATOM 0 H ASN A 63 21.454 16.406 -35.992 1.00 0.00 H new ATOM 0 HA ASN A 63 22.032 17.678 -37.728 1.00 0.00 H new ATOM 0 HB2 ASN A 63 24.128 18.291 -35.787 1.00 0.00 H new ATOM 0 HB3 ASN A 63 24.764 18.340 -37.419 1.00 0.00 H new ATOM 0 HD21 ASN A 63 23.160 21.649 -36.252 1.00 0.00 H new ATOM 0 HD22 ASN A 63 24.201 20.497 -35.407 1.00 0.00 H new ATOM 905 N GLY A 64 23.648 15.041 -37.877 1.00 0.00 N ATOM 906 CA GLY A 64 24.293 14.069 -38.741 1.00 0.00 C ATOM 907 C GLY A 64 25.612 13.577 -38.179 1.00 0.00 C ATOM 908 O GLY A 64 26.185 12.608 -38.679 1.00 0.00 O ATOM 0 H GLY A 64 23.240 14.655 -37.025 1.00 0.00 H new ATOM 0 HA2 GLY A 64 23.626 13.220 -38.889 1.00 0.00 H new ATOM 0 HA3 GLY A 64 24.463 14.515 -39.721 1.00 0.00 H new ATOM 912 N ARG A 65 26.098 14.246 -37.138 1.00 0.00 N ATOM 913 CA ARG A 65 27.359 13.872 -36.509 1.00 0.00 C ATOM 914 C ARG A 65 27.113 13.221 -35.150 1.00 0.00 C ATOM 915 O ARG A 65 26.009 12.756 -34.866 1.00 0.00 O ATOM 916 CB ARG A 65 28.257 15.101 -36.355 1.00 0.00 C ATOM 917 CG ARG A 65 27.687 16.161 -35.429 1.00 0.00 C ATOM 918 CD ARG A 65 27.825 17.551 -36.027 1.00 0.00 C ATOM 919 NE ARG A 65 27.022 17.695 -37.232 1.00 0.00 N ATOM 920 CZ ARG A 65 27.135 18.714 -38.080 1.00 0.00 C ATOM 921 NH1 ARG A 65 28.018 19.676 -37.849 1.00 0.00 N ATOM 922 NH2 ARG A 65 26.366 18.769 -39.158 1.00 0.00 N ATOM 0 H ARG A 65 25.637 15.050 -36.712 1.00 0.00 H new ATOM 0 HA ARG A 65 27.862 13.147 -37.149 1.00 0.00 H new ATOM 0 HB2 ARG A 65 29.229 14.785 -35.976 1.00 0.00 H new ATOM 0 HB3 ARG A 65 28.426 15.542 -37.337 1.00 0.00 H new ATOM 0 HG2 ARG A 65 26.636 15.949 -35.235 1.00 0.00 H new ATOM 0 HG3 ARG A 65 28.202 16.123 -34.469 1.00 0.00 H new ATOM 0 HD2 ARG A 65 27.518 18.296 -35.293 1.00 0.00 H new ATOM 0 HD3 ARG A 65 28.872 17.746 -36.261 1.00 0.00 H new ATOM 0 HE ARG A 65 26.332 16.973 -37.439 1.00 0.00 H new ATOM 0 HH11 ARG A 65 28.612 19.635 -37.020 1.00 0.00 H new ATOM 0 HH12 ARG A 65 28.104 20.457 -38.500 1.00 0.00 H new ATOM 0 HH21 ARG A 65 25.687 18.030 -39.338 1.00 0.00 H new ATOM 0 HH22 ARG A 65 26.453 19.551 -39.807 1.00 0.00 H new ATOM 936 N THR A 66 28.146 13.191 -34.313 1.00 0.00 N ATOM 937 CA THR A 66 28.035 12.593 -32.988 1.00 0.00 C ATOM 938 C THR A 66 28.836 13.384 -31.959 1.00 0.00 C ATOM 939 O THR A 66 29.886 13.945 -32.271 1.00 0.00 O ATOM 940 CB THR A 66 28.521 11.132 -32.989 1.00 0.00 C ATOM 941 OG1 THR A 66 27.889 10.405 -34.048 1.00 0.00 O ATOM 942 CG2 THR A 66 28.218 10.461 -31.658 1.00 0.00 C ATOM 0 H THR A 66 29.067 13.573 -34.529 1.00 0.00 H new ATOM 0 HA THR A 66 26.979 12.616 -32.718 1.00 0.00 H new ATOM 0 HB THR A 66 29.600 11.132 -33.142 1.00 0.00 H new ATOM 0 HG1 THR A 66 28.205 9.477 -34.042 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.570 9.430 -31.682 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.724 10.999 -30.856 1.00 0.00 H new ATOM 0 HG23 THR A 66 27.143 10.473 -31.481 1.00 0.00 H new ATOM 950 N PHE A 67 28.332 13.424 -30.730 1.00 0.00 N ATOM 951 CA PHE A 67 28.999 14.146 -29.652 1.00 0.00 C ATOM 952 C PHE A 67 29.037 13.304 -28.380 1.00 0.00 C ATOM 953 O PHE A 67 28.000 12.862 -27.884 1.00 0.00 O ATOM 954 CB PHE A 67 28.286 15.474 -29.388 1.00 0.00 C ATOM 955 CG PHE A 67 27.761 16.128 -30.635 1.00 0.00 C ATOM 956 CD1 PHE A 67 26.738 15.542 -31.365 1.00 0.00 C ATOM 957 CD2 PHE A 67 28.289 17.330 -31.076 1.00 0.00 C ATOM 958 CE1 PHE A 67 26.254 16.142 -32.512 1.00 0.00 C ATOM 959 CE2 PHE A 67 27.809 17.936 -32.222 1.00 0.00 C ATOM 960 CZ PHE A 67 26.790 17.341 -32.940 1.00 0.00 C ATOM 0 H PHE A 67 27.464 12.965 -30.455 1.00 0.00 H new ATOM 0 HA PHE A 67 30.025 14.350 -29.957 1.00 0.00 H new ATOM 0 HB2 PHE A 67 27.458 15.303 -28.700 1.00 0.00 H new ATOM 0 HB3 PHE A 67 28.976 16.156 -28.892 1.00 0.00 H new ATOM 0 HD1 PHE A 67 26.314 14.606 -31.033 1.00 0.00 H new ATOM 0 HD2 PHE A 67 29.085 17.800 -30.518 1.00 0.00 H new ATOM 0 HE1 PHE A 67 25.458 15.674 -33.073 1.00 0.00 H new ATOM 0 HE2 PHE A 67 28.230 18.873 -32.555 1.00 0.00 H new ATOM 0 HZ PHE A 67 26.413 17.813 -33.835 1.00 0.00 H new ATOM 970 N TYR A 68 30.241 13.078 -27.863 1.00 0.00 N ATOM 971 CA TYR A 68 30.419 12.279 -26.655 1.00 0.00 C ATOM 972 C TYR A 68 30.092 13.084 -25.400 1.00 0.00 C ATOM 973 O TYR A 68 30.110 12.549 -24.291 1.00 0.00 O ATOM 974 CB TYR A 68 31.857 11.760 -26.575 1.00 0.00 C ATOM 975 CG TYR A 68 32.114 10.530 -27.417 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.733 10.487 -28.753 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.744 9.415 -26.878 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.971 9.366 -29.527 1.00 0.00 C ATOM 979 CE2 TYR A 68 32.987 8.292 -27.646 1.00 0.00 C ATOM 980 CZ TYR A 68 32.599 8.272 -28.969 1.00 0.00 C ATOM 981 OH TYR A 68 32.838 7.156 -29.737 1.00 0.00 O ATOM 0 H TYR A 68 31.108 13.437 -28.262 1.00 0.00 H new ATOM 0 HA TYR A 68 29.729 11.437 -26.708 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.536 12.552 -26.890 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.093 11.532 -25.536 1.00 0.00 H new ATOM 0 HD1 TYR A 68 31.243 11.343 -29.194 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.049 9.426 -25.842 1.00 0.00 H new ATOM 0 HE1 TYR A 68 31.667 9.347 -30.563 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.479 7.434 -27.212 1.00 0.00 H new ATOM 0 HH TYR A 68 33.289 6.476 -29.194 1.00 0.00 H new ATOM 991 N SER A 69 29.795 14.368 -25.575 1.00 0.00 N ATOM 992 CA SER A 69 29.469 15.228 -24.442 1.00 0.00 C ATOM 993 C SER A 69 28.644 16.434 -24.879 1.00 0.00 C ATOM 994 O SER A 69 28.249 16.544 -26.039 1.00 0.00 O ATOM 995 CB SER A 69 30.747 15.699 -23.748 1.00 0.00 C ATOM 996 OG SER A 69 31.085 14.844 -22.669 1.00 0.00 O ATOM 0 H SER A 69 29.773 14.833 -26.482 1.00 0.00 H new ATOM 0 HA SER A 69 28.873 14.642 -23.742 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.566 15.725 -24.466 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.612 16.717 -23.382 1.00 0.00 H new ATOM 0 HG SER A 69 30.865 13.918 -22.904 1.00 0.00 H new ATOM 1002 N CYS A 70 28.388 17.334 -23.934 1.00 0.00 N ATOM 1003 CA CYS A 70 27.610 18.533 -24.208 1.00 0.00 C ATOM 1004 C CYS A 70 28.276 19.384 -25.283 1.00 0.00 C ATOM 1005 O CYS A 70 29.429 19.156 -25.646 1.00 0.00 O ATOM 1006 CB CYS A 70 27.441 19.352 -22.928 1.00 0.00 C ATOM 1007 SG CYS A 70 27.044 18.357 -21.453 1.00 0.00 S ATOM 0 H CYS A 70 28.710 17.253 -22.970 1.00 0.00 H new ATOM 0 HA CYS A 70 26.630 18.226 -24.573 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.360 19.908 -22.741 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.650 20.086 -23.081 1.00 0.00 H new ATOM 1012 N THR A 71 27.540 20.369 -25.785 1.00 0.00 N ATOM 1013 CA THR A 71 28.056 21.260 -26.816 1.00 0.00 C ATOM 1014 C THR A 71 27.037 22.335 -27.175 1.00 0.00 C ATOM 1015 O THR A 71 25.847 22.190 -26.905 1.00 0.00 O ATOM 1016 CB THR A 71 28.438 20.486 -28.090 1.00 0.00 C ATOM 1017 OG1 THR A 71 28.888 21.399 -29.099 1.00 0.00 O ATOM 1018 CG2 THR A 71 27.259 19.680 -28.620 1.00 0.00 C ATOM 0 H THR A 71 26.583 20.570 -25.494 1.00 0.00 H new ATOM 0 HA THR A 71 28.949 21.732 -26.406 1.00 0.00 H new ATOM 0 HB THR A 71 29.241 19.794 -27.836 1.00 0.00 H new ATOM 0 HG1 THR A 71 29.131 20.900 -29.907 1.00 0.00 H new ATOM 0 HG21 THR A 71 27.560 19.144 -29.520 1.00 0.00 H new ATOM 0 HG22 THR A 71 26.937 18.965 -27.863 1.00 0.00 H new ATOM 0 HG23 THR A 71 26.435 20.353 -28.857 1.00 0.00 H new ATOM 1026 N THR A 72 27.513 23.416 -27.787 1.00 0.00 N ATOM 1027 CA THR A 72 26.639 24.514 -28.181 1.00 0.00 C ATOM 1028 C THR A 72 26.337 24.463 -29.676 1.00 0.00 C ATOM 1029 O THR A 72 25.825 25.424 -30.252 1.00 0.00 O ATOM 1030 CB THR A 72 27.265 25.880 -27.842 1.00 0.00 C ATOM 1031 OG1 THR A 72 28.591 25.957 -28.378 1.00 0.00 O ATOM 1032 CG2 THR A 72 27.307 26.098 -26.338 1.00 0.00 C ATOM 0 H THR A 72 28.496 23.554 -28.020 1.00 0.00 H new ATOM 0 HA THR A 72 25.712 24.399 -27.620 1.00 0.00 H new ATOM 0 HB THR A 72 26.647 26.659 -28.288 1.00 0.00 H new ATOM 0 HG1 THR A 72 28.982 26.829 -28.160 1.00 0.00 H new ATOM 0 HG21 THR A 72 27.753 27.069 -26.123 1.00 0.00 H new ATOM 0 HG22 THR A 72 26.294 26.068 -25.938 1.00 0.00 H new ATOM 0 HG23 THR A 72 27.904 25.314 -25.873 1.00 0.00 H new ATOM 1040 N GLU A 73 26.661 23.333 -30.297 1.00 0.00 N ATOM 1041 CA GLU A 73 26.433 23.141 -31.727 1.00 0.00 C ATOM 1042 C GLU A 73 25.007 23.507 -32.110 1.00 0.00 C ATOM 1043 O GLU A 73 24.713 23.785 -33.273 1.00 0.00 O ATOM 1044 CB GLU A 73 26.707 21.687 -32.125 1.00 0.00 C ATOM 1045 CG GLU A 73 26.174 20.666 -31.147 1.00 0.00 C ATOM 1046 CD GLU A 73 24.735 20.295 -31.396 1.00 0.00 C ATOM 1047 OE1 GLU A 73 23.955 21.180 -31.799 1.00 0.00 O ATOM 1048 OE2 GLU A 73 24.384 19.119 -31.172 1.00 0.00 O ATOM 0 H GLU A 73 27.085 22.531 -29.830 1.00 0.00 H new ATOM 0 HA GLU A 73 27.120 23.799 -32.260 1.00 0.00 H new ATOM 0 HB2 GLU A 73 26.266 21.501 -33.104 1.00 0.00 H new ATOM 0 HB3 GLU A 73 27.783 21.547 -32.229 1.00 0.00 H new ATOM 0 HG2 GLU A 73 26.788 19.767 -31.201 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.271 21.058 -30.135 1.00 0.00 H new ATOM 1055 N GLY A 74 24.125 23.486 -31.126 1.00 0.00 N ATOM 1056 CA GLY A 74 22.732 23.798 -31.366 1.00 0.00 C ATOM 1057 C GLY A 74 22.372 25.217 -30.982 1.00 0.00 C ATOM 1058 O GLY A 74 21.200 25.593 -31.000 1.00 0.00 O ATOM 0 H GLY A 74 24.350 23.257 -30.158 1.00 0.00 H new ATOM 0 HA2 GLY A 74 22.507 23.644 -32.421 1.00 0.00 H new ATOM 0 HA3 GLY A 74 22.107 23.105 -30.803 1.00 0.00 H new ATOM 1122 N HIS A 79 26.081 28.074 -24.549 1.00 0.00 N ATOM 1123 CA HIS A 79 25.602 27.241 -23.453 1.00 0.00 C ATOM 1124 C HIS A 79 25.673 25.767 -23.831 1.00 0.00 C ATOM 1125 O HIS A 79 25.026 25.327 -24.782 1.00 0.00 O ATOM 1126 CB HIS A 79 24.168 27.621 -23.076 1.00 0.00 C ATOM 1127 CG HIS A 79 23.969 29.093 -22.883 1.00 0.00 C ATOM 1128 ND1 HIS A 79 23.391 29.907 -23.835 1.00 0.00 N ATOM 1129 CD2 HIS A 79 24.270 29.898 -21.836 1.00 0.00 C ATOM 1130 CE1 HIS A 79 23.346 31.147 -23.382 1.00 0.00 C ATOM 1131 NE2 HIS A 79 23.872 31.168 -22.172 1.00 0.00 N ATOM 0 HA HIS A 79 26.245 27.410 -22.590 1.00 0.00 H new ATOM 0 HB2 HIS A 79 23.491 27.270 -23.855 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.893 27.102 -22.158 1.00 0.00 H new ATOM 0 HD2 HIS A 79 24.736 29.597 -20.910 1.00 0.00 H new ATOM 0 HE1 HIS A 79 22.947 31.999 -23.912 1.00 0.00 H new ATOM 0 HE2 HIS A 79 23.967 31.994 -21.582 1.00 0.00 H new ATOM 1140 N LEU A 80 26.470 25.009 -23.086 1.00 0.00 N ATOM 1141 CA LEU A 80 26.633 23.585 -23.347 1.00 0.00 C ATOM 1142 C LEU A 80 25.368 22.814 -22.991 1.00 0.00 C ATOM 1143 O LEU A 80 24.757 23.049 -21.949 1.00 0.00 O ATOM 1144 CB LEU A 80 27.815 23.030 -22.551 1.00 0.00 C ATOM 1145 CG LEU A 80 29.186 23.224 -23.202 1.00 0.00 C ATOM 1146 CD1 LEU A 80 29.585 24.692 -23.186 1.00 0.00 C ATOM 1147 CD2 LEU A 80 30.234 22.377 -22.496 1.00 0.00 C ATOM 0 H LEU A 80 27.013 25.358 -22.296 1.00 0.00 H new ATOM 0 HA LEU A 80 26.826 23.461 -24.413 1.00 0.00 H new ATOM 0 HB2 LEU A 80 27.826 23.504 -21.569 1.00 0.00 H new ATOM 0 HB3 LEU A 80 27.655 21.964 -22.389 1.00 0.00 H new ATOM 0 HG LEU A 80 29.122 22.899 -24.241 1.00 0.00 H new ATOM 0 HD11 LEU A 80 30.563 24.808 -23.653 1.00 0.00 H new ATOM 0 HD12 LEU A 80 28.848 25.276 -23.737 1.00 0.00 H new ATOM 0 HD13 LEU A 80 29.631 25.045 -22.156 1.00 0.00 H new ATOM 0 HD21 LEU A 80 31.203 22.527 -22.971 1.00 0.00 H new ATOM 0 HD22 LEU A 80 30.294 22.672 -21.448 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.956 21.325 -22.562 1.00 0.00 H new ATOM 1159 N TRP A 81 24.985 21.890 -23.864 1.00 0.00 N ATOM 1160 CA TRP A 81 23.795 21.079 -23.644 1.00 0.00 C ATOM 1161 C TRP A 81 24.040 19.632 -24.048 1.00 0.00 C ATOM 1162 O TRP A 81 24.884 19.344 -24.898 1.00 0.00 O ATOM 1163 CB TRP A 81 22.617 21.641 -24.437 1.00 0.00 C ATOM 1164 CG TRP A 81 22.792 21.513 -25.919 1.00 0.00 C ATOM 1165 CD1 TRP A 81 23.305 22.452 -26.763 1.00 0.00 C ATOM 1166 CD2 TRP A 81 22.458 20.381 -26.729 1.00 0.00 C ATOM 1167 NE1 TRP A 81 23.308 21.978 -28.052 1.00 0.00 N ATOM 1168 CE2 TRP A 81 22.791 20.707 -28.057 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.907 19.122 -26.464 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 22.591 19.823 -29.113 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 21.711 18.245 -27.515 1.00 0.00 C ATOM 1172 CH2 TRP A 81 22.052 18.600 -28.825 1.00 0.00 C ATOM 0 H TRP A 81 25.482 21.684 -24.731 1.00 0.00 H new ATOM 0 HA TRP A 81 23.560 21.108 -22.580 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.706 21.123 -24.139 1.00 0.00 H new ATOM 0 HB3 TRP A 81 22.484 22.692 -24.182 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.658 23.427 -26.462 1.00 0.00 H new ATOM 0 HE1 TRP A 81 23.640 22.487 -28.871 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.640 18.840 -25.456 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 22.853 20.094 -30.125 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 21.288 17.270 -27.322 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.886 17.893 -29.625 1.00 0.00 H new ATOM 1183 N CYS A 82 23.290 18.725 -23.436 1.00 0.00 N ATOM 1184 CA CYS A 82 23.411 17.304 -23.729 1.00 0.00 C ATOM 1185 C CYS A 82 22.034 16.668 -23.871 1.00 0.00 C ATOM 1186 O CYS A 82 21.035 17.224 -23.415 1.00 0.00 O ATOM 1187 CB CYS A 82 24.204 16.599 -22.628 1.00 0.00 C ATOM 1188 SG CYS A 82 23.425 16.682 -20.984 1.00 0.00 S ATOM 0 H CYS A 82 22.589 18.950 -22.731 1.00 0.00 H new ATOM 0 HA CYS A 82 23.945 17.193 -24.673 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.337 15.553 -22.903 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.198 17.042 -22.570 1.00 0.00 H new ATOM 1193 N SER A 83 21.985 15.504 -24.507 1.00 0.00 N ATOM 1194 CA SER A 83 20.725 14.799 -24.709 1.00 0.00 C ATOM 1195 C SER A 83 20.425 13.873 -23.536 1.00 0.00 C ATOM 1196 O SER A 83 21.329 13.269 -22.961 1.00 0.00 O ATOM 1197 CB SER A 83 20.765 13.996 -26.009 1.00 0.00 C ATOM 1198 OG SER A 83 19.741 13.018 -26.036 1.00 0.00 O ATOM 0 H SER A 83 22.802 15.029 -24.891 1.00 0.00 H new ATOM 0 HA SER A 83 19.931 15.543 -24.775 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.652 14.669 -26.859 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.737 13.513 -26.112 1.00 0.00 H new ATOM 0 HG SER A 83 19.852 12.450 -26.827 1.00 0.00 H new ATOM 1204 N THR A 84 19.147 13.764 -23.191 1.00 0.00 N ATOM 1205 CA THR A 84 18.723 12.907 -22.090 1.00 0.00 C ATOM 1206 C THR A 84 18.227 11.564 -22.613 1.00 0.00 C ATOM 1207 O THR A 84 18.156 10.583 -21.873 1.00 0.00 O ATOM 1208 CB THR A 84 17.607 13.569 -21.260 1.00 0.00 C ATOM 1209 OG1 THR A 84 16.390 13.605 -22.015 1.00 0.00 O ATOM 1210 CG2 THR A 84 18.002 14.983 -20.855 1.00 0.00 C ATOM 0 H THR A 84 18.387 14.258 -23.658 1.00 0.00 H new ATOM 0 HA THR A 84 19.592 12.751 -21.450 1.00 0.00 H new ATOM 0 HB THR A 84 17.455 12.978 -20.357 1.00 0.00 H new ATOM 0 HG1 THR A 84 16.518 14.155 -22.816 1.00 0.00 H new ATOM 0 HG21 THR A 84 17.199 15.432 -20.270 1.00 0.00 H new ATOM 0 HG22 THR A 84 18.912 14.949 -20.256 1.00 0.00 H new ATOM 0 HG23 THR A 84 18.178 15.582 -21.749 1.00 0.00 H new ATOM 1218 N THR A 85 17.887 11.532 -23.898 1.00 0.00 N ATOM 1219 CA THR A 85 17.400 10.315 -24.536 1.00 0.00 C ATOM 1220 C THR A 85 18.138 10.063 -25.847 1.00 0.00 C ATOM 1221 O THR A 85 18.261 10.959 -26.682 1.00 0.00 O ATOM 1222 CB THR A 85 15.887 10.398 -24.817 1.00 0.00 C ATOM 1223 OG1 THR A 85 15.157 10.335 -23.586 1.00 0.00 O ATOM 1224 CG2 THR A 85 15.442 9.270 -25.735 1.00 0.00 C ATOM 0 H THR A 85 17.940 12.339 -24.520 1.00 0.00 H new ATOM 0 HA THR A 85 17.587 9.491 -23.848 1.00 0.00 H new ATOM 0 HB THR A 85 15.684 11.347 -25.312 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.385 10.937 -23.632 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.371 9.351 -25.918 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.978 9.338 -26.682 1.00 0.00 H new ATOM 0 HG23 THR A 85 15.658 8.311 -25.264 1.00 0.00 H new ATOM 1232 N SER A 86 18.632 8.840 -26.022 1.00 0.00 N ATOM 1233 CA SER A 86 19.361 8.479 -27.234 1.00 0.00 C ATOM 1234 C SER A 86 18.700 9.081 -28.468 1.00 0.00 C ATOM 1235 O SER A 86 19.378 9.498 -29.407 1.00 0.00 O ATOM 1236 CB SER A 86 19.441 6.957 -27.373 1.00 0.00 C ATOM 1237 OG SER A 86 20.035 6.588 -28.606 1.00 0.00 O ATOM 0 H SER A 86 18.541 8.085 -25.342 1.00 0.00 H new ATOM 0 HA SER A 86 20.370 8.882 -27.153 1.00 0.00 H new ATOM 0 HB2 SER A 86 20.021 6.543 -26.548 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.441 6.529 -27.305 1.00 0.00 H new ATOM 0 HG SER A 86 20.076 5.611 -28.670 1.00 0.00 H new ATOM 1243 N ASN A 87 17.372 9.122 -28.461 1.00 0.00 N ATOM 1244 CA ASN A 87 16.618 9.674 -29.580 1.00 0.00 C ATOM 1245 C ASN A 87 16.129 11.084 -29.269 1.00 0.00 C ATOM 1246 O ASN A 87 14.949 11.294 -28.989 1.00 0.00 O ATOM 1247 CB ASN A 87 15.427 8.773 -29.910 1.00 0.00 C ATOM 1248 CG ASN A 87 15.415 8.337 -31.363 1.00 0.00 C ATOM 1249 OD1 ASN A 87 16.129 7.414 -31.753 1.00 0.00 O ATOM 1250 ND2 ASN A 87 14.600 9.003 -32.172 1.00 0.00 N ATOM 0 H ASN A 87 16.796 8.779 -27.692 1.00 0.00 H new ATOM 0 HA ASN A 87 17.283 9.723 -30.443 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.454 7.891 -29.269 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.501 9.303 -29.685 1.00 0.00 H new ATOM 0 HD21 ASN A 87 14.548 8.756 -33.160 1.00 0.00 H new ATOM 0 HD22 ASN A 87 14.026 9.762 -31.805 1.00 0.00 H new ATOM 1257 N TYR A 88 17.040 12.050 -29.325 1.00 0.00 N ATOM 1258 CA TYR A 88 16.695 13.441 -29.053 1.00 0.00 C ATOM 1259 C TYR A 88 15.937 14.045 -30.229 1.00 0.00 C ATOM 1260 O TYR A 88 15.285 15.081 -30.095 1.00 0.00 O ATOM 1261 CB TYR A 88 17.958 14.257 -28.761 1.00 0.00 C ATOM 1262 CG TYR A 88 17.802 15.740 -29.024 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.858 16.244 -30.316 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.597 16.634 -27.979 1.00 0.00 C ATOM 1265 CE1 TYR A 88 17.716 17.597 -30.562 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.453 17.987 -28.217 1.00 0.00 C ATOM 1267 CZ TYR A 88 17.514 18.464 -29.509 1.00 0.00 C ATOM 1268 OH TYR A 88 17.371 19.811 -29.750 1.00 0.00 O ATOM 0 H TYR A 88 18.021 11.896 -29.556 1.00 0.00 H new ATOM 0 HA TYR A 88 16.050 13.469 -28.175 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.241 14.110 -27.719 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.776 13.873 -29.371 1.00 0.00 H new ATOM 0 HD1 TYR A 88 18.015 15.568 -31.143 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.550 16.265 -26.965 1.00 0.00 H new ATOM 0 HE1 TYR A 88 17.763 17.973 -31.573 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.293 18.668 -27.394 1.00 0.00 H new ATOM 0 HH TYR A 88 17.235 20.282 -28.902 1.00 0.00 H new ATOM 1278 N GLU A 89 16.029 13.392 -31.381 1.00 0.00 N ATOM 1279 CA GLU A 89 15.353 13.862 -32.584 1.00 0.00 C ATOM 1280 C GLU A 89 13.840 13.733 -32.445 1.00 0.00 C ATOM 1281 O GLU A 89 13.083 14.418 -33.131 1.00 0.00 O ATOM 1282 CB GLU A 89 15.835 13.076 -33.804 1.00 0.00 C ATOM 1283 CG GLU A 89 17.153 13.577 -34.370 1.00 0.00 C ATOM 1284 CD GLU A 89 17.152 13.639 -35.886 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.055 13.587 -36.481 1.00 0.00 O ATOM 1286 OE2 GLU A 89 18.248 13.741 -36.477 1.00 0.00 O ATOM 0 H GLU A 89 16.566 12.534 -31.508 1.00 0.00 H new ATOM 0 HA GLU A 89 15.597 14.916 -32.720 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.943 12.027 -33.530 1.00 0.00 H new ATOM 0 HB3 GLU A 89 15.073 13.126 -34.582 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.362 14.569 -33.970 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.959 12.923 -34.037 1.00 0.00 H new ATOM 1293 N GLN A 90 13.406 12.848 -31.553 1.00 0.00 N ATOM 1294 CA GLN A 90 11.982 12.629 -31.325 1.00 0.00 C ATOM 1295 C GLN A 90 11.579 13.066 -29.921 1.00 0.00 C ATOM 1296 O GLN A 90 10.488 13.598 -29.715 1.00 0.00 O ATOM 1297 CB GLN A 90 11.634 11.156 -31.531 1.00 0.00 C ATOM 1298 CG GLN A 90 12.170 10.259 -30.432 1.00 0.00 C ATOM 1299 CD GLN A 90 11.145 9.986 -29.349 1.00 0.00 C ATOM 1300 OE1 GLN A 90 9.944 9.928 -29.615 1.00 0.00 O ATOM 1301 NE2 GLN A 90 11.614 9.818 -28.118 1.00 0.00 N ATOM 0 H GLN A 90 14.019 12.271 -30.977 1.00 0.00 H new ATOM 0 HA GLN A 90 11.429 13.232 -32.045 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.551 11.049 -31.583 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.034 10.825 -32.489 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.495 9.313 -30.866 1.00 0.00 H new ATOM 0 HG3 GLN A 90 13.049 10.723 -29.986 1.00 0.00 H new ATOM 0 HE21 GLN A 90 12.617 9.874 -27.942 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.971 9.633 -27.348 1.00 0.00 H new ATOM 1310 N ASP A 91 12.466 12.837 -28.958 1.00 0.00 N ATOM 1311 CA ASP A 91 12.201 13.207 -27.572 1.00 0.00 C ATOM 1312 C ASP A 91 12.302 14.717 -27.383 1.00 0.00 C ATOM 1313 O ASP A 91 11.366 15.357 -26.903 1.00 0.00 O ATOM 1314 CB ASP A 91 13.182 12.496 -26.636 1.00 0.00 C ATOM 1315 CG ASP A 91 12.504 11.950 -25.396 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.662 11.038 -25.532 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.815 12.435 -24.288 1.00 0.00 O ATOM 0 H ASP A 91 13.374 12.397 -29.111 1.00 0.00 H new ATOM 0 HA ASP A 91 11.186 12.896 -27.327 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.665 11.679 -27.172 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.968 13.192 -26.341 1.00 0.00 H new ATOM 1322 N GLN A 92 13.442 15.281 -27.766 1.00 0.00 N ATOM 1323 CA GLN A 92 13.664 16.717 -27.643 1.00 0.00 C ATOM 1324 C GLN A 92 14.030 17.098 -26.212 1.00 0.00 C ATOM 1325 O GLN A 92 14.030 18.276 -25.855 1.00 0.00 O ATOM 1326 CB GLN A 92 12.415 17.485 -28.081 1.00 0.00 C ATOM 1327 CG GLN A 92 12.723 18.749 -28.866 1.00 0.00 C ATOM 1328 CD GLN A 92 11.944 18.833 -30.163 1.00 0.00 C ATOM 1329 OE1 GLN A 92 10.967 19.576 -30.267 1.00 0.00 O ATOM 1330 NE2 GLN A 92 12.372 18.068 -31.161 1.00 0.00 N ATOM 0 H GLN A 92 14.227 14.766 -28.164 1.00 0.00 H new ATOM 0 HA GLN A 92 14.498 16.984 -28.292 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.792 16.831 -28.691 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.832 17.748 -27.198 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.493 19.619 -28.251 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.790 18.786 -29.084 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.186 17.467 -31.030 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.887 18.081 -32.058 1.00 0.00 H new ATOM 1339 N LYS A 93 14.344 16.098 -25.395 1.00 0.00 N ATOM 1340 CA LYS A 93 14.711 16.336 -24.004 1.00 0.00 C ATOM 1341 C LYS A 93 16.213 16.562 -23.874 1.00 0.00 C ATOM 1342 O LYS A 93 17.000 15.617 -23.923 1.00 0.00 O ATOM 1343 CB LYS A 93 14.280 15.160 -23.128 1.00 0.00 C ATOM 1344 CG LYS A 93 12.792 15.150 -22.818 1.00 0.00 C ATOM 1345 CD LYS A 93 11.973 15.599 -24.017 1.00 0.00 C ATOM 1346 CE LYS A 93 10.527 15.145 -23.906 1.00 0.00 C ATOM 1347 NZ LYS A 93 10.314 13.811 -24.532 1.00 0.00 N ATOM 0 H LYS A 93 14.352 15.116 -25.672 1.00 0.00 H new ATOM 0 HA LYS A 93 14.194 17.234 -23.666 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.546 14.228 -23.628 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.838 15.190 -22.192 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.487 14.146 -22.522 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.591 15.806 -21.971 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.009 16.685 -24.097 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.412 15.197 -24.930 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.239 15.103 -22.855 1.00 0.00 H new ATOM 0 HE3 LYS A 93 9.878 15.878 -24.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.304 13.568 -24.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.628 13.839 -25.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.862 13.094 -24.015 1.00 0.00 H new ATOM 1361 N TYR A 94 16.606 17.821 -23.713 1.00 0.00 N ATOM 1362 CA TYR A 94 18.015 18.171 -23.583 1.00 0.00 C ATOM 1363 C TYR A 94 18.286 18.901 -22.271 1.00 0.00 C ATOM 1364 O TYR A 94 17.376 19.454 -21.654 1.00 0.00 O ATOM 1365 CB TYR A 94 18.454 19.042 -24.762 1.00 0.00 C ATOM 1366 CG TYR A 94 18.059 20.496 -24.624 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.651 21.310 -23.666 1.00 0.00 C ATOM 1368 CD2 TYR A 94 17.093 21.056 -25.452 1.00 0.00 C ATOM 1369 CE1 TYR A 94 18.292 22.640 -23.538 1.00 0.00 C ATOM 1370 CE2 TYR A 94 16.730 22.383 -25.331 1.00 0.00 C ATOM 1371 CZ TYR A 94 17.332 23.171 -24.373 1.00 0.00 C ATOM 1372 OH TYR A 94 16.973 24.493 -24.249 1.00 0.00 O ATOM 0 H TYR A 94 15.968 18.616 -23.669 1.00 0.00 H new ATOM 0 HA TYR A 94 18.591 17.245 -23.583 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.537 18.977 -24.867 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.021 18.642 -25.679 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.404 20.898 -23.011 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.618 20.442 -26.203 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.761 23.259 -22.788 1.00 0.00 H new ATOM 0 HE2 TYR A 94 15.978 22.802 -25.984 1.00 0.00 H new ATOM 0 HH TYR A 94 16.285 24.709 -24.913 1.00 0.00 H new ATOM 1382 N SER A 95 19.549 18.901 -21.856 1.00 0.00 N ATOM 1383 CA SER A 95 19.954 19.564 -20.622 1.00 0.00 C ATOM 1384 C SER A 95 21.265 20.317 -20.821 1.00 0.00 C ATOM 1385 O SER A 95 22.170 19.836 -21.502 1.00 0.00 O ATOM 1386 CB SER A 95 20.105 18.541 -19.494 1.00 0.00 C ATOM 1387 OG SER A 95 19.988 17.218 -19.986 1.00 0.00 O ATOM 0 H SER A 95 20.312 18.447 -22.359 1.00 0.00 H new ATOM 0 HA SER A 95 19.179 20.280 -20.349 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.074 18.668 -19.011 1.00 0.00 H new ATOM 0 HB3 SER A 95 19.344 18.718 -18.734 1.00 0.00 H new ATOM 0 HG SER A 95 20.150 16.583 -19.258 1.00 0.00 H new ATOM 1393 N PHE A 96 21.361 21.502 -20.228 1.00 0.00 N ATOM 1394 CA PHE A 96 22.564 22.319 -20.347 1.00 0.00 C ATOM 1395 C PHE A 96 23.715 21.720 -19.546 1.00 0.00 C ATOM 1396 O PHE A 96 23.553 20.700 -18.877 1.00 0.00 O ATOM 1397 CB PHE A 96 22.284 23.747 -19.881 1.00 0.00 C ATOM 1398 CG PHE A 96 21.513 24.559 -20.882 1.00 0.00 C ATOM 1399 CD1 PHE A 96 21.929 24.630 -22.202 1.00 0.00 C ATOM 1400 CD2 PHE A 96 20.370 25.246 -20.506 1.00 0.00 C ATOM 1401 CE1 PHE A 96 21.222 25.373 -23.127 1.00 0.00 C ATOM 1402 CE2 PHE A 96 19.658 25.991 -21.427 1.00 0.00 C ATOM 1403 CZ PHE A 96 20.084 26.055 -22.740 1.00 0.00 C ATOM 0 H PHE A 96 20.622 21.918 -19.661 1.00 0.00 H new ATOM 0 HA PHE A 96 22.855 22.340 -21.397 1.00 0.00 H new ATOM 0 HB2 PHE A 96 21.727 23.713 -18.945 1.00 0.00 H new ATOM 0 HB3 PHE A 96 23.230 24.245 -19.671 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.817 24.098 -22.511 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.032 25.199 -19.481 1.00 0.00 H new ATOM 0 HE1 PHE A 96 21.558 25.421 -24.152 1.00 0.00 H new ATOM 0 HE2 PHE A 96 18.769 26.523 -21.121 1.00 0.00 H new ATOM 0 HZ PHE A 96 19.529 26.636 -23.462 1.00 0.00 H new ATOM 1413 N CYS A 97 24.878 22.360 -19.620 1.00 0.00 N ATOM 1414 CA CYS A 97 26.057 21.888 -18.902 1.00 0.00 C ATOM 1415 C CYS A 97 26.986 23.050 -18.562 1.00 0.00 C ATOM 1416 O CYS A 97 27.240 23.919 -19.396 1.00 0.00 O ATOM 1417 CB CYS A 97 26.808 20.850 -19.738 1.00 0.00 C ATOM 1418 SG CYS A 97 25.751 19.529 -20.415 1.00 0.00 S ATOM 0 H CYS A 97 25.029 23.206 -20.169 1.00 0.00 H new ATOM 0 HA CYS A 97 25.725 21.425 -17.973 1.00 0.00 H new ATOM 0 HB2 CYS A 97 27.309 21.357 -20.562 1.00 0.00 H new ATOM 0 HB3 CYS A 97 27.586 20.398 -19.122 1.00 0.00 H new ATOM 1423 N THR A 98 27.489 23.058 -17.332 1.00 0.00 N ATOM 1424 CA THR A 98 28.389 24.110 -16.883 1.00 0.00 C ATOM 1425 C THR A 98 29.760 23.975 -17.531 1.00 0.00 C ATOM 1426 O THR A 98 30.376 24.966 -17.921 1.00 0.00 O ATOM 1427 CB THR A 98 28.550 24.086 -15.354 1.00 0.00 C ATOM 1428 OG1 THR A 98 29.484 23.069 -14.974 1.00 0.00 O ATOM 1429 CG2 THR A 98 27.214 23.835 -14.675 1.00 0.00 C ATOM 0 H THR A 98 27.288 22.347 -16.629 1.00 0.00 H new ATOM 0 HA THR A 98 27.945 25.060 -17.182 1.00 0.00 H new ATOM 0 HB THR A 98 28.925 25.058 -15.035 1.00 0.00 H new ATOM 0 HG1 THR A 98 29.581 23.062 -13.999 1.00 0.00 H new ATOM 0 HG21 THR A 98 27.352 23.822 -13.594 1.00 0.00 H new ATOM 0 HG22 THR A 98 26.515 24.628 -14.942 1.00 0.00 H new ATOM 0 HG23 THR A 98 26.815 22.875 -15.001 1.00 0.00 H new