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 51 SER OG : rot -100:sc= -0.117 USER MOD Set 1.2: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 95 SER OG : rot 77:sc= 0.537 USER MOD Set 2.1: A 17 GLN : amide:sc= -0.0058 K(o=-1.2,f=-4.2!) USER MOD Set 2.2: A 30 THR OG1 : rot 130:sc= -1.21 USER MOD Set 3.1: A 3 HIS : no HD1:sc= -1.23 K(o=-1.2,f=0.31) USER MOD Set 3.2: A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 150:sc= -1.6! USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -98:sc= 0.713 USER MOD Single : A 16 MET CE :methyl 153:sc= -2.47 (180deg=-3.11) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.254 K(o=-0.25,f=-2.7!) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -6.13! C(o=-6.1!,f=-16!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.0238 K(o=-0.024,f=-2.6!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.2) USER MOD Single : A 52 ASN : amide:sc= -1.34! C(o=-1.3!,f=-1.4!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -0.497 USER MOD Single : A 63 ASN : amide:sc= 0.117 X(o=0.12,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 15:sc= -0.237 USER MOD Single : A 69 SER OG : rot -53:sc= 0.00991! USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.249 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -0.274 K(o=-0.27,f=-1.6!) USER MOD Single : A 83 SER OG : rot -179:sc= -0.766 USER MOD Single : A 86 SER OG : rot -73:sc= 0.126 USER MOD Single : A 87 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.18) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -1.53 K(o=-1.5,f=-4.1!) USER MOD Single : A 92 GLN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 40.739 1.135 -42.155 1.00 0.00 N ATOM 32 CA HIS A 3 40.874 0.960 -40.714 1.00 0.00 C ATOM 33 C HIS A 3 41.734 2.066 -40.112 1.00 0.00 C ATOM 34 O HIS A 3 42.697 2.521 -40.727 1.00 0.00 O ATOM 35 CB HIS A 3 41.490 -0.404 -40.404 1.00 0.00 C ATOM 36 CG HIS A 3 40.489 -1.516 -40.338 1.00 0.00 C ATOM 37 ND1 HIS A 3 40.050 -2.199 -41.452 1.00 0.00 N ATOM 38 CD2 HIS A 3 39.844 -2.066 -39.282 1.00 0.00 C ATOM 39 CE1 HIS A 3 39.177 -3.119 -41.086 1.00 0.00 C ATOM 40 NE2 HIS A 3 39.035 -3.060 -39.775 1.00 0.00 N ATOM 0 HA HIS A 3 39.880 1.014 -40.270 1.00 0.00 H new ATOM 0 HB2 HIS A 3 42.232 -0.640 -41.167 1.00 0.00 H new ATOM 0 HB3 HIS A 3 42.019 -0.346 -39.453 1.00 0.00 H new ATOM 0 HD2 HIS A 3 39.947 -1.777 -38.246 1.00 0.00 H new ATOM 0 HE1 HIS A 3 38.666 -3.804 -41.747 1.00 0.00 H new ATOM 0 HE2 HIS A 3 38.423 -3.656 -39.218 1.00 0.00 H new ATOM 49 N CYS A 4 41.382 2.492 -38.903 1.00 0.00 N ATOM 50 CA CYS A 4 42.129 3.545 -38.220 1.00 0.00 C ATOM 51 C CYS A 4 42.889 2.980 -37.024 1.00 0.00 C ATOM 52 O CYS A 4 42.368 2.149 -36.283 1.00 0.00 O ATOM 53 CB CYS A 4 41.186 4.661 -37.764 1.00 0.00 C ATOM 54 SG CYS A 4 39.444 4.142 -37.610 1.00 0.00 S ATOM 0 H CYS A 4 40.588 2.127 -38.377 1.00 0.00 H new ATOM 0 HA CYS A 4 42.850 3.960 -38.924 1.00 0.00 H new ATOM 0 HB2 CYS A 4 41.528 5.041 -36.801 1.00 0.00 H new ATOM 0 HB3 CYS A 4 41.247 5.487 -38.473 1.00 0.00 H new ATOM 59 N VAL A 5 44.123 3.435 -36.842 1.00 0.00 N ATOM 60 CA VAL A 5 44.949 2.970 -35.735 1.00 0.00 C ATOM 61 C VAL A 5 45.505 4.142 -34.933 1.00 0.00 C ATOM 62 O VAL A 5 46.296 4.936 -35.442 1.00 0.00 O ATOM 63 CB VAL A 5 46.122 2.102 -36.230 1.00 0.00 C ATOM 64 CG1 VAL A 5 47.024 1.708 -35.070 1.00 0.00 C ATOM 65 CG2 VAL A 5 45.603 0.869 -36.955 1.00 0.00 C ATOM 0 H VAL A 5 44.573 4.124 -37.445 1.00 0.00 H new ATOM 0 HA VAL A 5 44.305 2.366 -35.096 1.00 0.00 H new ATOM 0 HB VAL A 5 46.712 2.689 -36.934 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.846 1.095 -35.440 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.424 2.606 -34.599 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.449 1.140 -34.339 1.00 0.00 H new ATOM 0 HG21 VAL A 5 46.445 0.267 -37.298 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.988 0.279 -36.275 1.00 0.00 H new ATOM 0 HG23 VAL A 5 45.004 1.176 -37.812 1.00 0.00 H new ATOM 75 N THR A 6 45.085 4.244 -33.676 1.00 0.00 N ATOM 76 CA THR A 6 45.541 5.318 -32.804 1.00 0.00 C ATOM 77 C THR A 6 47.015 5.627 -33.038 1.00 0.00 C ATOM 78 O THR A 6 47.361 6.692 -33.547 1.00 0.00 O ATOM 79 CB THR A 6 45.332 4.962 -31.320 1.00 0.00 C ATOM 80 OG1 THR A 6 45.467 3.548 -31.132 1.00 0.00 O ATOM 81 CG2 THR A 6 43.960 5.414 -30.842 1.00 0.00 C ATOM 0 H THR A 6 44.430 3.596 -33.240 1.00 0.00 H new ATOM 0 HA THR A 6 44.945 6.198 -33.047 1.00 0.00 H new ATOM 0 HB THR A 6 46.091 5.480 -30.734 1.00 0.00 H new ATOM 0 HG1 THR A 6 45.809 3.369 -30.231 1.00 0.00 H new ATOM 0 HG21 THR A 6 43.836 5.151 -29.791 1.00 0.00 H new ATOM 0 HG22 THR A 6 43.872 6.494 -30.959 1.00 0.00 H new ATOM 0 HG23 THR A 6 43.188 4.921 -31.433 1.00 0.00 H new ATOM 89 N ASP A 7 47.878 4.686 -32.663 1.00 0.00 N ATOM 90 CA ASP A 7 49.318 4.854 -32.832 1.00 0.00 C ATOM 91 C ASP A 7 50.088 3.764 -32.090 1.00 0.00 C ATOM 92 O ASP A 7 51.205 3.413 -32.468 1.00 0.00 O ATOM 93 CB ASP A 7 49.758 6.231 -32.330 1.00 0.00 C ATOM 94 CG ASP A 7 51.266 6.385 -32.313 1.00 0.00 C ATOM 95 OD1 ASP A 7 51.882 6.313 -33.397 1.00 0.00 O ATOM 96 OD2 ASP A 7 51.831 6.579 -31.216 1.00 0.00 O ATOM 0 H ASP A 7 47.604 3.799 -32.240 1.00 0.00 H new ATOM 0 HA ASP A 7 49.541 4.773 -33.896 1.00 0.00 H new ATOM 0 HB2 ASP A 7 49.324 7.002 -32.966 1.00 0.00 H new ATOM 0 HB3 ASP A 7 49.368 6.390 -31.325 1.00 0.00 H new ATOM 101 N SER A 8 49.483 3.233 -31.031 1.00 0.00 N ATOM 102 CA SER A 8 50.111 2.186 -30.235 1.00 0.00 C ATOM 103 C SER A 8 49.890 0.816 -30.868 1.00 0.00 C ATOM 104 O SER A 8 50.734 -0.073 -30.756 1.00 0.00 O ATOM 105 CB SER A 8 49.554 2.200 -28.812 1.00 0.00 C ATOM 106 OG SER A 8 50.268 3.111 -27.993 1.00 0.00 O ATOM 0 H SER A 8 48.558 3.512 -30.705 1.00 0.00 H new ATOM 0 HA SER A 8 51.183 2.381 -30.201 1.00 0.00 H new ATOM 0 HB2 SER A 8 48.500 2.475 -28.834 1.00 0.00 H new ATOM 0 HB3 SER A 8 49.613 1.199 -28.385 1.00 0.00 H new ATOM 0 HG SER A 8 49.891 3.102 -27.088 1.00 0.00 H new ATOM 112 N GLY A 9 48.749 0.655 -31.528 1.00 0.00 N ATOM 113 CA GLY A 9 48.437 -0.609 -32.167 1.00 0.00 C ATOM 114 C GLY A 9 46.946 -0.836 -32.305 1.00 0.00 C ATOM 115 O GLY A 9 46.506 -1.620 -33.147 1.00 0.00 O ATOM 0 H GLY A 9 48.035 1.376 -31.632 1.00 0.00 H new ATOM 0 HA2 GLY A 9 48.899 -0.637 -33.154 1.00 0.00 H new ATOM 0 HA3 GLY A 9 48.873 -1.423 -31.588 1.00 0.00 H new ATOM 119 N VAL A 10 46.166 -0.148 -31.479 1.00 0.00 N ATOM 120 CA VAL A 10 44.713 -0.280 -31.515 1.00 0.00 C ATOM 121 C VAL A 10 44.212 -0.390 -32.951 1.00 0.00 C ATOM 122 O VAL A 10 44.839 0.121 -33.878 1.00 0.00 O ATOM 123 CB VAL A 10 44.022 0.912 -30.830 1.00 0.00 C ATOM 124 CG1 VAL A 10 42.513 0.719 -30.817 1.00 0.00 C ATOM 125 CG2 VAL A 10 44.556 1.096 -29.416 1.00 0.00 C ATOM 0 H VAL A 10 46.514 0.506 -30.777 1.00 0.00 H new ATOM 0 HA VAL A 10 44.462 -1.192 -30.973 1.00 0.00 H new ATOM 0 HB VAL A 10 44.244 1.815 -31.399 1.00 0.00 H new ATOM 0 HG11 VAL A 10 42.041 1.572 -30.329 1.00 0.00 H new ATOM 0 HG12 VAL A 10 42.148 0.639 -31.841 1.00 0.00 H new ATOM 0 HG13 VAL A 10 42.267 -0.193 -30.272 1.00 0.00 H new ATOM 0 HG21 VAL A 10 44.057 1.943 -28.946 1.00 0.00 H new ATOM 0 HG22 VAL A 10 44.365 0.194 -28.835 1.00 0.00 H new ATOM 0 HG23 VAL A 10 45.629 1.283 -29.454 1.00 0.00 H new ATOM 135 N VAL A 11 43.079 -1.063 -33.128 1.00 0.00 N ATOM 136 CA VAL A 11 42.501 -1.241 -34.454 1.00 0.00 C ATOM 137 C VAL A 11 41.097 -0.650 -34.533 1.00 0.00 C ATOM 138 O VAL A 11 40.155 -1.176 -33.943 1.00 0.00 O ATOM 139 CB VAL A 11 42.438 -2.728 -34.847 1.00 0.00 C ATOM 140 CG1 VAL A 11 41.681 -2.902 -36.152 1.00 0.00 C ATOM 141 CG2 VAL A 11 43.839 -3.311 -34.953 1.00 0.00 C ATOM 0 H VAL A 11 42.545 -1.492 -32.372 1.00 0.00 H new ATOM 0 HA VAL A 11 43.153 -0.714 -35.150 1.00 0.00 H new ATOM 0 HB VAL A 11 41.902 -3.270 -34.068 1.00 0.00 H new ATOM 0 HG11 VAL A 11 41.646 -3.959 -36.414 1.00 0.00 H new ATOM 0 HG12 VAL A 11 40.665 -2.523 -36.037 1.00 0.00 H new ATOM 0 HG13 VAL A 11 42.187 -2.348 -36.943 1.00 0.00 H new ATOM 0 HG21 VAL A 11 43.775 -4.363 -35.232 1.00 0.00 H new ATOM 0 HG22 VAL A 11 44.403 -2.768 -35.712 1.00 0.00 H new ATOM 0 HG23 VAL A 11 44.345 -3.220 -33.992 1.00 0.00 H new ATOM 151 N TYR A 12 40.969 0.442 -35.277 1.00 0.00 N ATOM 152 CA TYR A 12 39.683 1.107 -35.451 1.00 0.00 C ATOM 153 C TYR A 12 39.205 0.967 -36.891 1.00 0.00 C ATOM 154 O TYR A 12 39.804 0.244 -37.687 1.00 0.00 O ATOM 155 CB TYR A 12 39.791 2.589 -35.087 1.00 0.00 C ATOM 156 CG TYR A 12 40.103 2.841 -33.631 1.00 0.00 C ATOM 157 CD1 TYR A 12 39.101 2.796 -32.669 1.00 0.00 C ATOM 158 CD2 TYR A 12 41.398 3.127 -33.219 1.00 0.00 C ATOM 159 CE1 TYR A 12 39.383 3.029 -31.337 1.00 0.00 C ATOM 160 CE2 TYR A 12 41.688 3.359 -31.889 1.00 0.00 C ATOM 161 CZ TYR A 12 40.678 3.310 -30.951 1.00 0.00 C ATOM 162 OH TYR A 12 40.962 3.541 -29.625 1.00 0.00 O ATOM 0 H TYR A 12 41.743 0.887 -35.771 1.00 0.00 H new ATOM 0 HA TYR A 12 38.961 0.632 -34.787 1.00 0.00 H new ATOM 0 HB2 TYR A 12 40.567 3.048 -35.699 1.00 0.00 H new ATOM 0 HB3 TYR A 12 38.853 3.084 -35.338 1.00 0.00 H new ATOM 0 HD1 TYR A 12 38.087 2.576 -32.967 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.191 3.169 -33.951 1.00 0.00 H new ATOM 0 HE1 TYR A 12 38.594 2.991 -30.601 1.00 0.00 H new ATOM 0 HE2 TYR A 12 42.701 3.578 -31.585 1.00 0.00 H new ATOM 0 HH TYR A 12 40.995 4.507 -29.461 1.00 0.00 H new ATOM 172 N SER A 13 38.130 1.669 -37.223 1.00 0.00 N ATOM 173 CA SER A 13 37.580 1.627 -38.572 1.00 0.00 C ATOM 174 C SER A 13 37.063 2.997 -38.990 1.00 0.00 C ATOM 175 O SER A 13 36.339 3.650 -38.242 1.00 0.00 O ATOM 176 CB SER A 13 36.461 0.592 -38.661 1.00 0.00 C ATOM 177 OG SER A 13 36.985 -0.721 -38.746 1.00 0.00 O ATOM 0 H SER A 13 37.622 2.274 -36.578 1.00 0.00 H new ATOM 0 HA SER A 13 38.380 1.339 -39.254 1.00 0.00 H new ATOM 0 HB2 SER A 13 35.816 0.673 -37.786 1.00 0.00 H new ATOM 0 HB3 SER A 13 35.841 0.796 -39.534 1.00 0.00 H new ATOM 0 HG SER A 13 36.248 -1.364 -38.801 1.00 0.00 H new ATOM 183 N VAL A 14 37.450 3.421 -40.190 1.00 0.00 N ATOM 184 CA VAL A 14 37.039 4.716 -40.725 1.00 0.00 C ATOM 185 C VAL A 14 35.649 5.112 -40.239 1.00 0.00 C ATOM 186 O VAL A 14 34.647 4.834 -40.897 1.00 0.00 O ATOM 187 CB VAL A 14 37.048 4.709 -42.265 1.00 0.00 C ATOM 188 CG1 VAL A 14 36.265 3.519 -42.797 1.00 0.00 C ATOM 189 CG2 VAL A 14 36.486 6.014 -42.810 1.00 0.00 C ATOM 0 H VAL A 14 38.051 2.883 -40.814 1.00 0.00 H new ATOM 0 HA VAL A 14 37.761 5.447 -40.361 1.00 0.00 H new ATOM 0 HB VAL A 14 38.080 4.617 -42.604 1.00 0.00 H new ATOM 0 HG11 VAL A 14 36.282 3.530 -43.887 1.00 0.00 H new ATOM 0 HG12 VAL A 14 36.717 2.595 -42.436 1.00 0.00 H new ATOM 0 HG13 VAL A 14 35.233 3.577 -42.450 1.00 0.00 H new ATOM 0 HG21 VAL A 14 36.501 5.990 -43.900 1.00 0.00 H new ATOM 0 HG22 VAL A 14 35.460 6.141 -42.464 1.00 0.00 H new ATOM 0 HG23 VAL A 14 37.094 6.847 -42.457 1.00 0.00 H new ATOM 199 N GLY A 15 35.598 5.768 -39.084 1.00 0.00 N ATOM 200 CA GLY A 15 34.329 6.199 -38.529 1.00 0.00 C ATOM 201 C GLY A 15 33.929 5.412 -37.296 1.00 0.00 C ATOM 202 O GLY A 15 32.744 5.179 -37.059 1.00 0.00 O ATOM 0 H GLY A 15 36.415 6.009 -38.522 1.00 0.00 H new ATOM 0 HA2 GLY A 15 34.389 7.257 -38.275 1.00 0.00 H new ATOM 0 HA3 GLY A 15 33.553 6.097 -39.287 1.00 0.00 H new ATOM 206 N MET A 16 34.917 5.002 -36.508 1.00 0.00 N ATOM 207 CA MET A 16 34.657 4.239 -35.293 1.00 0.00 C ATOM 208 C MET A 16 35.118 5.007 -34.058 1.00 0.00 C ATOM 209 O MET A 16 35.926 4.511 -33.275 1.00 0.00 O ATOM 210 CB MET A 16 35.359 2.882 -35.357 1.00 0.00 C ATOM 211 CG MET A 16 34.504 1.730 -34.855 1.00 0.00 C ATOM 212 SD MET A 16 35.010 1.146 -33.227 1.00 0.00 S ATOM 213 CE MET A 16 36.653 0.529 -33.584 1.00 0.00 C ATOM 0 H MET A 16 35.904 5.185 -36.689 1.00 0.00 H new ATOM 0 HA MET A 16 33.581 4.080 -35.218 1.00 0.00 H new ATOM 0 HB2 MET A 16 35.653 2.683 -36.387 1.00 0.00 H new ATOM 0 HB3 MET A 16 36.275 2.928 -34.767 1.00 0.00 H new ATOM 0 HG2 MET A 16 33.462 2.047 -34.815 1.00 0.00 H new ATOM 0 HG3 MET A 16 34.559 0.905 -35.566 1.00 0.00 H new ATOM 0 HE1 MET A 16 37.265 0.583 -32.684 1.00 0.00 H new ATOM 0 HE2 MET A 16 36.588 -0.507 -33.918 1.00 0.00 H new ATOM 0 HE3 MET A 16 37.107 1.135 -34.368 1.00 0.00 H new ATOM 223 N GLN A 17 34.598 6.221 -33.897 1.00 0.00 N ATOM 224 CA GLN A 17 34.952 7.067 -32.762 1.00 0.00 C ATOM 225 C GLN A 17 35.221 6.233 -31.513 1.00 0.00 C ATOM 226 O GLN A 17 34.652 5.156 -31.337 1.00 0.00 O ATOM 227 CB GLN A 17 33.832 8.071 -32.481 1.00 0.00 C ATOM 228 CG GLN A 17 33.453 8.913 -33.688 1.00 0.00 C ATOM 229 CD GLN A 17 32.313 9.869 -33.396 1.00 0.00 C ATOM 230 OE1 GLN A 17 31.144 9.483 -33.419 1.00 0.00 O ATOM 231 NE2 GLN A 17 32.648 11.124 -33.121 1.00 0.00 N ATOM 0 H GLN A 17 33.928 6.641 -34.541 1.00 0.00 H new ATOM 0 HA GLN A 17 35.865 7.605 -33.019 1.00 0.00 H new ATOM 0 HB2 GLN A 17 32.951 7.532 -32.133 1.00 0.00 H new ATOM 0 HB3 GLN A 17 34.142 8.731 -31.671 1.00 0.00 H new ATOM 0 HG2 GLN A 17 34.323 9.481 -34.018 1.00 0.00 H new ATOM 0 HG3 GLN A 17 33.170 8.256 -34.510 1.00 0.00 H new ATOM 0 HE21 GLN A 17 33.630 11.400 -33.113 1.00 0.00 H new ATOM 0 HE22 GLN A 17 31.923 11.812 -32.918 1.00 0.00 H new ATOM 240 N TRP A 18 36.092 6.742 -30.646 1.00 0.00 N ATOM 241 CA TRP A 18 36.435 6.049 -29.411 1.00 0.00 C ATOM 242 C TRP A 18 36.851 7.042 -28.328 1.00 0.00 C ATOM 243 O TRP A 18 36.663 8.250 -28.474 1.00 0.00 O ATOM 244 CB TRP A 18 37.557 5.038 -29.659 1.00 0.00 C ATOM 245 CG TRP A 18 38.854 5.671 -30.059 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.897 5.990 -29.238 1.00 0.00 C ATOM 247 CD2 TRP A 18 39.248 6.060 -31.380 1.00 0.00 C ATOM 248 NE1 TRP A 18 40.914 6.553 -29.966 1.00 0.00 N ATOM 249 CE2 TRP A 18 40.540 6.609 -31.285 1.00 0.00 C ATOM 250 CE3 TRP A 18 38.634 5.998 -32.633 1.00 0.00 C ATOM 251 CZ2 TRP A 18 41.227 7.093 -32.396 1.00 0.00 C ATOM 252 CZ3 TRP A 18 39.316 6.478 -33.734 1.00 0.00 C ATOM 253 CH2 TRP A 18 40.601 7.018 -33.610 1.00 0.00 C ATOM 0 H TRP A 18 36.572 7.632 -30.777 1.00 0.00 H new ATOM 0 HA TRP A 18 35.550 5.514 -29.066 1.00 0.00 H new ATOM 0 HB2 TRP A 18 37.712 4.450 -28.754 1.00 0.00 H new ATOM 0 HB3 TRP A 18 37.244 4.344 -30.440 1.00 0.00 H new ATOM 0 HD1 TRP A 18 39.918 5.823 -28.171 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.804 6.877 -29.588 1.00 0.00 H new ATOM 0 HE3 TRP A 18 37.643 5.582 -32.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 42.218 7.512 -32.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 38.850 6.436 -34.707 1.00 0.00 H new ATOM 0 HH2 TRP A 18 41.109 7.383 -34.491 1.00 0.00 H new ATOM 264 N LEU A 19 37.415 6.523 -27.242 1.00 0.00 N ATOM 265 CA LEU A 19 37.853 7.363 -26.133 1.00 0.00 C ATOM 266 C LEU A 19 39.310 7.088 -25.785 1.00 0.00 C ATOM 267 O LEU A 19 39.629 6.070 -25.169 1.00 0.00 O ATOM 268 CB LEU A 19 36.974 7.125 -24.904 1.00 0.00 C ATOM 269 CG LEU A 19 35.615 7.823 -24.931 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.766 9.264 -25.396 1.00 0.00 C ATOM 271 CD2 LEU A 19 34.647 7.067 -25.828 1.00 0.00 C ATOM 0 H LEU A 19 37.579 5.526 -27.106 1.00 0.00 H new ATOM 0 HA LEU A 19 37.760 8.404 -26.443 1.00 0.00 H new ATOM 0 HB2 LEU A 19 36.812 6.053 -24.795 1.00 0.00 H new ATOM 0 HB3 LEU A 19 37.517 7.456 -24.019 1.00 0.00 H new ATOM 0 HG LEU A 19 35.209 7.831 -23.919 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.789 9.746 -25.409 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.426 9.799 -24.713 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.192 9.280 -26.399 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.684 7.578 -25.836 1.00 0.00 H new ATOM 0 HD22 LEU A 19 35.045 7.028 -26.842 1.00 0.00 H new ATOM 0 HD23 LEU A 19 34.517 6.053 -25.450 1.00 0.00 H new ATOM 283 N LYS A 20 40.191 7.999 -26.180 1.00 0.00 N ATOM 284 CA LYS A 20 41.614 7.848 -25.904 1.00 0.00 C ATOM 285 C LYS A 20 42.014 8.634 -24.660 1.00 0.00 C ATOM 286 O LYS A 20 41.159 9.140 -23.934 1.00 0.00 O ATOM 287 CB LYS A 20 42.440 8.312 -27.103 1.00 0.00 C ATOM 288 CG LYS A 20 42.561 9.822 -27.212 1.00 0.00 C ATOM 289 CD LYS A 20 43.588 10.221 -28.256 1.00 0.00 C ATOM 290 CE LYS A 20 44.923 10.566 -27.619 1.00 0.00 C ATOM 291 NZ LYS A 20 45.919 9.470 -27.786 1.00 0.00 N ATOM 0 H LYS A 20 39.946 8.847 -26.691 1.00 0.00 H new ATOM 0 HA LYS A 20 41.813 6.792 -25.723 1.00 0.00 H new ATOM 0 HB2 LYS A 20 43.438 7.880 -27.034 1.00 0.00 H new ATOM 0 HB3 LYS A 20 41.988 7.926 -28.016 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.592 10.248 -27.471 1.00 0.00 H new ATOM 0 HG3 LYS A 20 42.843 10.237 -26.244 1.00 0.00 H new ATOM 0 HD2 LYS A 20 43.722 9.405 -28.966 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.221 11.078 -28.821 1.00 0.00 H new ATOM 0 HE2 LYS A 20 45.312 11.481 -28.065 1.00 0.00 H new ATOM 0 HE3 LYS A 20 44.778 10.766 -26.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 46.816 9.745 -27.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 45.559 8.603 -27.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 46.077 9.296 -28.799 1.00 0.00 H new ATOM 379 N GLN A 26 42.145 11.376 -19.668 1.00 0.00 N ATOM 380 CA GLN A 26 41.501 10.780 -20.831 1.00 0.00 C ATOM 381 C GLN A 26 41.368 11.794 -21.963 1.00 0.00 C ATOM 382 O GLN A 26 41.808 12.937 -21.841 1.00 0.00 O ATOM 383 CB GLN A 26 40.122 10.234 -20.455 1.00 0.00 C ATOM 384 CG GLN A 26 40.170 8.871 -19.784 1.00 0.00 C ATOM 385 CD GLN A 26 40.098 8.962 -18.272 1.00 0.00 C ATOM 386 OE1 GLN A 26 39.861 10.033 -17.715 1.00 0.00 O ATOM 387 NE2 GLN A 26 40.303 7.834 -17.601 1.00 0.00 N ATOM 0 HA GLN A 26 42.127 9.958 -21.177 1.00 0.00 H new ATOM 0 HB2 GLN A 26 39.630 10.941 -19.787 1.00 0.00 H new ATOM 0 HB3 GLN A 26 39.510 10.166 -21.354 1.00 0.00 H new ATOM 0 HG2 GLN A 26 39.342 8.262 -20.147 1.00 0.00 H new ATOM 0 HG3 GLN A 26 41.090 8.362 -20.070 1.00 0.00 H new ATOM 0 HE21 GLN A 26 40.496 6.969 -18.105 1.00 0.00 H new ATOM 0 HE22 GLN A 26 40.267 7.833 -16.582 1.00 0.00 H new ATOM 396 N MET A 27 40.753 11.366 -23.060 1.00 0.00 N ATOM 397 CA MET A 27 40.554 12.232 -24.215 1.00 0.00 C ATOM 398 C MET A 27 39.720 11.525 -25.277 1.00 0.00 C ATOM 399 O MET A 27 39.802 10.308 -25.435 1.00 0.00 O ATOM 400 CB MET A 27 41.901 12.653 -24.805 1.00 0.00 C ATOM 401 CG MET A 27 41.933 14.098 -25.275 1.00 0.00 C ATOM 402 SD MET A 27 42.478 14.261 -26.986 1.00 0.00 S ATOM 403 CE MET A 27 44.071 15.048 -26.762 1.00 0.00 C ATOM 0 H MET A 27 40.383 10.422 -23.173 1.00 0.00 H new ATOM 0 HA MET A 27 40.019 13.123 -23.885 1.00 0.00 H new ATOM 0 HB2 MET A 27 42.679 12.506 -24.056 1.00 0.00 H new ATOM 0 HB3 MET A 27 42.140 12.001 -25.645 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.938 14.531 -25.172 1.00 0.00 H new ATOM 0 HG3 MET A 27 42.599 14.671 -24.630 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.534 15.215 -27.734 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.937 16.003 -26.255 1.00 0.00 H new ATOM 0 HE3 MET A 27 44.713 14.405 -26.160 1.00 0.00 H new ATOM 413 N LEU A 28 38.917 12.295 -26.003 1.00 0.00 N ATOM 414 CA LEU A 28 38.071 11.738 -27.049 1.00 0.00 C ATOM 415 C LEU A 28 38.799 11.754 -28.387 1.00 0.00 C ATOM 416 O LEU A 28 39.392 12.764 -28.767 1.00 0.00 O ATOM 417 CB LEU A 28 36.768 12.530 -27.156 1.00 0.00 C ATOM 418 CG LEU A 28 35.933 12.225 -28.398 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.753 11.339 -28.039 1.00 0.00 C ATOM 420 CD2 LEU A 28 35.456 13.513 -29.049 1.00 0.00 C ATOM 0 H LEU A 28 38.835 13.305 -25.886 1.00 0.00 H new ATOM 0 HA LEU A 28 37.837 10.706 -26.788 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.164 12.330 -26.271 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.004 13.594 -27.147 1.00 0.00 H new ATOM 0 HG LEU A 28 36.559 11.691 -29.113 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.168 11.131 -28.935 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.117 10.402 -27.617 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.126 11.847 -27.306 1.00 0.00 H new ATOM 0 HD21 LEU A 28 34.863 13.276 -29.932 1.00 0.00 H new ATOM 0 HD22 LEU A 28 34.845 14.074 -28.341 1.00 0.00 H new ATOM 0 HD23 LEU A 28 36.317 14.114 -29.341 1.00 0.00 H new ATOM 432 N CYS A 29 38.761 10.632 -29.097 1.00 0.00 N ATOM 433 CA CYS A 29 39.430 10.536 -30.387 1.00 0.00 C ATOM 434 C CYS A 29 38.521 9.930 -31.446 1.00 0.00 C ATOM 435 O CYS A 29 37.583 9.195 -31.134 1.00 0.00 O ATOM 436 CB CYS A 29 40.710 9.715 -30.265 1.00 0.00 C ATOM 437 SG CYS A 29 41.857 9.932 -31.663 1.00 0.00 S ATOM 0 H CYS A 29 38.278 9.783 -28.803 1.00 0.00 H new ATOM 0 HA CYS A 29 39.683 11.549 -30.701 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.221 9.990 -29.342 1.00 0.00 H new ATOM 0 HB3 CYS A 29 40.448 8.660 -30.182 1.00 0.00 H new ATOM 442 N THR A 30 38.811 10.247 -32.703 1.00 0.00 N ATOM 443 CA THR A 30 38.026 9.740 -33.823 1.00 0.00 C ATOM 444 C THR A 30 38.863 9.659 -35.094 1.00 0.00 C ATOM 445 O THR A 30 39.817 10.417 -35.272 1.00 0.00 O ATOM 446 CB THR A 30 36.799 10.626 -34.103 1.00 0.00 C ATOM 447 OG1 THR A 30 35.898 10.585 -32.989 1.00 0.00 O ATOM 448 CG2 THR A 30 36.079 10.167 -35.362 1.00 0.00 C ATOM 0 H THR A 30 39.585 10.854 -32.972 1.00 0.00 H new ATOM 0 HA THR A 30 37.693 8.742 -33.538 1.00 0.00 H new ATOM 0 HB THR A 30 37.143 11.649 -34.252 1.00 0.00 H new ATOM 0 HG1 THR A 30 35.659 11.499 -32.728 1.00 0.00 H new ATOM 0 HG21 THR A 30 35.215 10.807 -35.541 1.00 0.00 H new ATOM 0 HG22 THR A 30 36.758 10.228 -36.212 1.00 0.00 H new ATOM 0 HG23 THR A 30 35.747 9.136 -35.236 1.00 0.00 H new ATOM 456 N CYS A 31 38.490 8.743 -35.979 1.00 0.00 N ATOM 457 CA CYS A 31 39.195 8.569 -37.241 1.00 0.00 C ATOM 458 C CYS A 31 38.275 8.893 -38.412 1.00 0.00 C ATOM 459 O CYS A 31 37.379 8.117 -38.746 1.00 0.00 O ATOM 460 CB CYS A 31 39.724 7.141 -37.367 1.00 0.00 C ATOM 461 SG CYS A 31 38.461 5.853 -37.138 1.00 0.00 S ATOM 0 H CYS A 31 37.702 8.109 -35.845 1.00 0.00 H new ATOM 0 HA CYS A 31 40.041 9.256 -37.259 1.00 0.00 H new ATOM 0 HB2 CYS A 31 40.176 7.019 -38.351 1.00 0.00 H new ATOM 0 HB3 CYS A 31 40.515 6.993 -36.632 1.00 0.00 H new ATOM 466 N LEU A 32 38.497 10.049 -39.025 1.00 0.00 N ATOM 467 CA LEU A 32 37.682 10.488 -40.155 1.00 0.00 C ATOM 468 C LEU A 32 38.117 9.799 -41.447 1.00 0.00 C ATOM 469 O LEU A 32 37.690 8.681 -41.734 1.00 0.00 O ATOM 470 CB LEU A 32 37.762 12.011 -40.315 1.00 0.00 C ATOM 471 CG LEU A 32 39.046 12.656 -39.790 1.00 0.00 C ATOM 472 CD1 LEU A 32 39.447 13.837 -40.659 1.00 0.00 C ATOM 473 CD2 LEU A 32 38.871 13.091 -38.342 1.00 0.00 C ATOM 0 H LEU A 32 39.235 10.701 -38.760 1.00 0.00 H new ATOM 0 HA LEU A 32 36.648 10.209 -39.951 1.00 0.00 H new ATOM 0 HB2 LEU A 32 37.658 12.255 -41.372 1.00 0.00 H new ATOM 0 HB3 LEU A 32 36.913 12.459 -39.800 1.00 0.00 H new ATOM 0 HG LEU A 32 39.844 11.915 -39.832 1.00 0.00 H new ATOM 0 HD11 LEU A 32 40.362 14.282 -40.269 1.00 0.00 H new ATOM 0 HD12 LEU A 32 39.616 13.496 -41.681 1.00 0.00 H new ATOM 0 HD13 LEU A 32 38.650 14.581 -40.652 1.00 0.00 H new ATOM 0 HD21 LEU A 32 39.794 13.548 -37.985 1.00 0.00 H new ATOM 0 HD22 LEU A 32 38.059 13.815 -38.275 1.00 0.00 H new ATOM 0 HD23 LEU A 32 38.635 12.223 -37.727 1.00 0.00 H new ATOM 485 N GLY A 33 38.963 10.469 -42.224 1.00 0.00 N ATOM 486 CA GLY A 33 39.429 9.898 -43.473 1.00 0.00 C ATOM 487 C GLY A 33 40.888 10.205 -43.743 1.00 0.00 C ATOM 488 O GLY A 33 41.649 9.331 -44.158 1.00 0.00 O ATOM 0 H GLY A 33 39.333 11.395 -42.011 1.00 0.00 H new ATOM 0 HA2 GLY A 33 39.287 8.818 -43.450 1.00 0.00 H new ATOM 0 HA3 GLY A 33 38.822 10.282 -44.293 1.00 0.00 H new ATOM 492 N ASN A 34 41.278 11.450 -43.502 1.00 0.00 N ATOM 493 CA ASN A 34 42.658 11.873 -43.715 1.00 0.00 C ATOM 494 C ASN A 34 43.549 11.380 -42.583 1.00 0.00 C ATOM 495 O ASN A 34 44.755 11.204 -42.759 1.00 0.00 O ATOM 496 CB ASN A 34 42.749 13.398 -43.828 1.00 0.00 C ATOM 497 CG ASN A 34 41.726 14.113 -42.967 1.00 0.00 C ATOM 498 OD1 ASN A 34 40.542 13.776 -42.984 1.00 0.00 O ATOM 499 ND2 ASN A 34 42.177 15.105 -42.209 1.00 0.00 N ATOM 0 H ASN A 34 40.659 12.185 -43.159 1.00 0.00 H new ATOM 0 HA ASN A 34 43.004 11.435 -44.651 1.00 0.00 H new ATOM 0 HB2 ASN A 34 43.749 13.720 -43.539 1.00 0.00 H new ATOM 0 HB3 ASN A 34 42.609 13.690 -44.869 1.00 0.00 H new ATOM 0 HD21 ASN A 34 41.534 15.622 -41.609 1.00 0.00 H new ATOM 0 HD22 ASN A 34 43.167 15.351 -42.226 1.00 0.00 H new ATOM 506 N GLY A 35 42.946 11.153 -41.420 1.00 0.00 N ATOM 507 CA GLY A 35 43.699 10.678 -40.276 1.00 0.00 C ATOM 508 C GLY A 35 42.817 10.398 -39.075 1.00 0.00 C ATOM 509 O GLY A 35 41.727 9.844 -39.212 1.00 0.00 O ATOM 0 H GLY A 35 41.950 11.290 -41.251 1.00 0.00 H new ATOM 0 HA2 GLY A 35 44.234 9.769 -40.550 1.00 0.00 H new ATOM 0 HA3 GLY A 35 44.450 11.420 -40.006 1.00 0.00 H new ATOM 513 N VAL A 36 43.292 10.783 -37.897 1.00 0.00 N ATOM 514 CA VAL A 36 42.543 10.575 -36.664 1.00 0.00 C ATOM 515 C VAL A 36 42.690 11.773 -35.731 1.00 0.00 C ATOM 516 O VAL A 36 43.801 12.143 -35.351 1.00 0.00 O ATOM 517 CB VAL A 36 43.006 9.297 -35.932 1.00 0.00 C ATOM 518 CG1 VAL A 36 42.485 9.274 -34.503 1.00 0.00 C ATOM 519 CG2 VAL A 36 42.556 8.057 -36.688 1.00 0.00 C ATOM 0 H VAL A 36 44.194 11.242 -37.769 1.00 0.00 H new ATOM 0 HA VAL A 36 41.495 10.460 -36.940 1.00 0.00 H new ATOM 0 HB VAL A 36 44.095 9.300 -35.895 1.00 0.00 H new ATOM 0 HG11 VAL A 36 42.824 8.365 -34.007 1.00 0.00 H new ATOM 0 HG12 VAL A 36 42.862 10.143 -33.964 1.00 0.00 H new ATOM 0 HG13 VAL A 36 41.395 9.298 -34.513 1.00 0.00 H new ATOM 0 HG21 VAL A 36 42.891 7.166 -36.157 1.00 0.00 H new ATOM 0 HG22 VAL A 36 41.468 8.049 -36.759 1.00 0.00 H new ATOM 0 HG23 VAL A 36 42.985 8.066 -37.690 1.00 0.00 H new ATOM 529 N SER A 37 41.563 12.378 -35.370 1.00 0.00 N ATOM 530 CA SER A 37 41.567 13.539 -34.486 1.00 0.00 C ATOM 531 C SER A 37 41.002 13.185 -33.115 1.00 0.00 C ATOM 532 O SER A 37 40.175 12.283 -32.988 1.00 0.00 O ATOM 533 CB SER A 37 40.756 14.679 -35.106 1.00 0.00 C ATOM 534 OG SER A 37 40.978 15.897 -34.416 1.00 0.00 O ATOM 0 H SER A 37 40.635 12.084 -35.676 1.00 0.00 H new ATOM 0 HA SER A 37 42.600 13.862 -34.358 1.00 0.00 H new ATOM 0 HB2 SER A 37 41.030 14.796 -36.154 1.00 0.00 H new ATOM 0 HB3 SER A 37 39.695 14.431 -35.080 1.00 0.00 H new ATOM 0 HG SER A 37 40.450 16.610 -34.832 1.00 0.00 H new ATOM 540 N CYS A 38 41.456 13.900 -32.090 1.00 0.00 N ATOM 541 CA CYS A 38 40.996 13.659 -30.727 1.00 0.00 C ATOM 542 C CYS A 38 41.073 14.932 -29.893 1.00 0.00 C ATOM 543 O CYS A 38 41.992 15.736 -30.048 1.00 0.00 O ATOM 544 CB CYS A 38 41.829 12.555 -30.070 1.00 0.00 C ATOM 545 SG CYS A 38 42.898 11.623 -31.221 1.00 0.00 S ATOM 0 H CYS A 38 42.141 14.650 -32.178 1.00 0.00 H new ATOM 0 HA CYS A 38 39.955 13.339 -30.775 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.453 13.001 -29.295 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.156 11.856 -29.574 1.00 0.00 H new ATOM 550 N GLN A 39 40.097 15.108 -29.007 1.00 0.00 N ATOM 551 CA GLN A 39 40.048 16.282 -28.145 1.00 0.00 C ATOM 552 C GLN A 39 39.769 15.884 -26.700 1.00 0.00 C ATOM 553 O GLN A 39 39.252 14.799 -26.434 1.00 0.00 O ATOM 554 CB GLN A 39 38.971 17.251 -28.637 1.00 0.00 C ATOM 555 CG GLN A 39 38.525 16.990 -30.067 1.00 0.00 C ATOM 556 CD GLN A 39 37.428 17.936 -30.518 1.00 0.00 C ATOM 557 OE1 GLN A 39 36.311 17.511 -30.817 1.00 0.00 O ATOM 558 NE2 GLN A 39 37.741 19.224 -30.572 1.00 0.00 N ATOM 0 H GLN A 39 39.329 14.451 -28.868 1.00 0.00 H new ATOM 0 HA GLN A 39 41.019 16.775 -28.185 1.00 0.00 H new ATOM 0 HB2 GLN A 39 38.106 17.185 -27.978 1.00 0.00 H new ATOM 0 HB3 GLN A 39 39.350 18.270 -28.564 1.00 0.00 H new ATOM 0 HG2 GLN A 39 39.381 17.088 -30.734 1.00 0.00 H new ATOM 0 HG3 GLN A 39 38.171 15.963 -30.151 1.00 0.00 H new ATOM 0 HE21 GLN A 39 38.679 19.532 -30.315 1.00 0.00 H new ATOM 0 HE22 GLN A 39 37.044 19.906 -30.870 1.00 0.00 H new ATOM 636 N GLN A 45 30.926 19.250 -15.913 1.00 0.00 N ATOM 637 CA GLN A 45 29.609 19.282 -15.286 1.00 0.00 C ATOM 638 C GLN A 45 28.587 19.955 -16.197 1.00 0.00 C ATOM 639 O GLN A 45 28.856 20.204 -17.372 1.00 0.00 O ATOM 640 CB GLN A 45 29.676 20.019 -13.946 1.00 0.00 C ATOM 641 CG GLN A 45 30.646 19.396 -12.954 1.00 0.00 C ATOM 642 CD GLN A 45 30.028 18.249 -12.179 1.00 0.00 C ATOM 643 OE1 GLN A 45 29.312 17.419 -12.739 1.00 0.00 O ATOM 644 NE2 GLN A 45 30.304 18.196 -10.880 1.00 0.00 N ATOM 0 HA GLN A 45 29.293 18.253 -15.113 1.00 0.00 H new ATOM 0 HB2 GLN A 45 29.968 21.054 -14.125 1.00 0.00 H new ATOM 0 HB3 GLN A 45 28.680 20.040 -13.503 1.00 0.00 H new ATOM 0 HG2 GLN A 45 31.526 19.037 -13.488 1.00 0.00 H new ATOM 0 HG3 GLN A 45 30.987 20.160 -12.255 1.00 0.00 H new ATOM 0 HE21 GLN A 45 30.902 18.905 -10.456 1.00 0.00 H new ATOM 0 HE22 GLN A 45 29.917 17.446 -10.307 1.00 0.00 H new ATOM 653 N THR A 46 27.412 20.246 -15.647 1.00 0.00 N ATOM 654 CA THR A 46 26.349 20.888 -16.411 1.00 0.00 C ATOM 655 C THR A 46 25.629 21.943 -15.576 1.00 0.00 C ATOM 656 O THR A 46 25.342 21.727 -14.398 1.00 0.00 O ATOM 657 CB THR A 46 25.319 19.862 -16.916 1.00 0.00 C ATOM 658 OG1 THR A 46 25.011 18.925 -15.877 1.00 0.00 O ATOM 659 CG2 THR A 46 25.845 19.119 -18.136 1.00 0.00 C ATOM 0 H THR A 46 27.173 20.047 -14.676 1.00 0.00 H new ATOM 0 HA THR A 46 26.824 21.367 -17.267 1.00 0.00 H new ATOM 0 HB THR A 46 24.415 20.400 -17.201 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.354 18.277 -16.206 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.099 18.400 -18.474 1.00 0.00 H new ATOM 0 HG22 THR A 46 26.050 19.831 -18.935 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.763 18.593 -17.874 1.00 0.00 H new ATOM 667 N TYR A 47 25.340 23.083 -16.193 1.00 0.00 N ATOM 668 CA TYR A 47 24.654 24.171 -15.509 1.00 0.00 C ATOM 669 C TYR A 47 23.834 24.999 -16.493 1.00 0.00 C ATOM 670 O TYR A 47 23.986 24.869 -17.708 1.00 0.00 O ATOM 671 CB TYR A 47 25.664 25.068 -14.791 1.00 0.00 C ATOM 672 CG TYR A 47 26.597 25.799 -15.730 1.00 0.00 C ATOM 673 CD1 TYR A 47 26.259 27.046 -16.241 1.00 0.00 C ATOM 674 CD2 TYR A 47 27.812 25.243 -16.105 1.00 0.00 C ATOM 675 CE1 TYR A 47 27.107 27.718 -17.101 1.00 0.00 C ATOM 676 CE2 TYR A 47 28.666 25.908 -16.965 1.00 0.00 C ATOM 677 CZ TYR A 47 28.309 27.144 -17.460 1.00 0.00 C ATOM 678 OH TYR A 47 29.156 27.810 -18.316 1.00 0.00 O ATOM 0 H TYR A 47 25.571 23.277 -17.167 1.00 0.00 H new ATOM 0 HA TYR A 47 23.978 23.735 -14.774 1.00 0.00 H new ATOM 0 HB2 TYR A 47 25.125 25.798 -14.187 1.00 0.00 H new ATOM 0 HB3 TYR A 47 26.254 24.460 -14.105 1.00 0.00 H new ATOM 0 HD1 TYR A 47 25.318 27.497 -15.962 1.00 0.00 H new ATOM 0 HD2 TYR A 47 28.095 24.275 -15.719 1.00 0.00 H new ATOM 0 HE1 TYR A 47 26.830 28.687 -17.490 1.00 0.00 H new ATOM 0 HE2 TYR A 47 29.608 25.461 -17.248 1.00 0.00 H new ATOM 0 HH TYR A 47 29.960 27.270 -18.467 1.00 0.00 H new ATOM 688 N GLY A 48 22.963 25.850 -15.961 1.00 0.00 N ATOM 689 CA GLY A 48 22.132 26.686 -16.806 1.00 0.00 C ATOM 690 C GLY A 48 21.596 25.939 -18.011 1.00 0.00 C ATOM 691 O GLY A 48 21.249 24.762 -17.917 1.00 0.00 O ATOM 0 H GLY A 48 22.818 25.975 -14.959 1.00 0.00 H new ATOM 0 HA2 GLY A 48 21.297 27.073 -16.221 1.00 0.00 H new ATOM 0 HA3 GLY A 48 22.711 27.546 -17.143 1.00 0.00 H new ATOM 695 N GLY A 49 21.528 26.626 -19.147 1.00 0.00 N ATOM 696 CA GLY A 49 21.029 26.007 -20.359 1.00 0.00 C ATOM 697 C GLY A 49 19.523 25.837 -20.346 1.00 0.00 C ATOM 698 O GLY A 49 18.792 26.758 -19.981 1.00 0.00 O ATOM 0 H GLY A 49 21.810 27.601 -19.249 1.00 0.00 H new ATOM 0 HA2 GLY A 49 21.316 26.614 -21.218 1.00 0.00 H new ATOM 0 HA3 GLY A 49 21.500 25.032 -20.486 1.00 0.00 H new ATOM 702 N ASN A 50 19.058 24.658 -20.742 1.00 0.00 N ATOM 703 CA ASN A 50 17.629 24.370 -20.774 1.00 0.00 C ATOM 704 C ASN A 50 17.279 23.256 -19.793 1.00 0.00 C ATOM 705 O ASN A 50 16.108 23.031 -19.486 1.00 0.00 O ATOM 706 CB ASN A 50 17.197 23.979 -22.188 1.00 0.00 C ATOM 707 CG ASN A 50 16.101 24.878 -22.726 1.00 0.00 C ATOM 708 OD1 ASN A 50 14.983 24.429 -22.980 1.00 0.00 O ATOM 709 ND2 ASN A 50 16.418 26.154 -22.907 1.00 0.00 N ATOM 0 H ASN A 50 19.650 23.885 -21.046 1.00 0.00 H new ATOM 0 HA ASN A 50 17.094 25.272 -20.477 1.00 0.00 H new ATOM 0 HB2 ASN A 50 18.059 24.023 -22.854 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.848 22.946 -22.186 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.722 26.806 -23.270 1.00 0.00 H new ATOM 0 HD22 ASN A 50 17.357 26.483 -22.683 1.00 0.00 H new ATOM 716 N SER A 51 18.301 22.559 -19.306 1.00 0.00 N ATOM 717 CA SER A 51 18.102 21.468 -18.361 1.00 0.00 C ATOM 718 C SER A 51 18.347 21.936 -16.930 1.00 0.00 C ATOM 719 O SER A 51 17.939 21.279 -15.972 1.00 0.00 O ATOM 720 CB SER A 51 19.030 20.299 -18.694 1.00 0.00 C ATOM 721 OG SER A 51 19.151 20.127 -20.096 1.00 0.00 O ATOM 0 H SER A 51 19.276 22.731 -19.551 1.00 0.00 H new ATOM 0 HA SER A 51 17.067 21.135 -18.443 1.00 0.00 H new ATOM 0 HB2 SER A 51 20.014 20.477 -18.260 1.00 0.00 H new ATOM 0 HB3 SER A 51 18.644 19.384 -18.244 1.00 0.00 H new ATOM 0 HG SER A 51 18.568 19.395 -20.387 1.00 0.00 H new ATOM 727 N ASN A 52 19.014 23.079 -16.792 1.00 0.00 N ATOM 728 CA ASN A 52 19.312 23.637 -15.479 1.00 0.00 C ATOM 729 C ASN A 52 20.282 22.742 -14.713 1.00 0.00 C ATOM 730 O ASN A 52 20.278 22.712 -13.482 1.00 0.00 O ATOM 731 CB ASN A 52 18.020 23.819 -14.681 1.00 0.00 C ATOM 732 CG ASN A 52 18.272 24.298 -13.264 1.00 0.00 C ATOM 733 OD1 ASN A 52 19.062 25.215 -13.039 1.00 0.00 O ATOM 734 ND2 ASN A 52 17.602 23.676 -12.301 1.00 0.00 N ATOM 0 H ASN A 52 19.358 23.636 -17.574 1.00 0.00 H new ATOM 0 HA ASN A 52 19.785 24.609 -15.619 1.00 0.00 H new ATOM 0 HB2 ASN A 52 17.378 24.535 -15.194 1.00 0.00 H new ATOM 0 HB3 ASN A 52 17.480 22.873 -14.650 1.00 0.00 H new ATOM 0 HD21 ASN A 52 17.732 23.953 -11.328 1.00 0.00 H new ATOM 0 HD22 ASN A 52 16.957 22.921 -12.534 1.00 0.00 H new ATOM 741 N GLY A 53 21.116 22.015 -15.450 1.00 0.00 N ATOM 742 CA GLY A 53 22.082 21.132 -14.823 1.00 0.00 C ATOM 743 C GLY A 53 21.525 19.745 -14.570 1.00 0.00 C ATOM 744 O GLY A 53 21.353 19.337 -13.422 1.00 0.00 O ATOM 0 H GLY A 53 21.140 22.022 -16.470 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.964 21.055 -15.458 1.00 0.00 H new ATOM 0 HA3 GLY A 53 22.407 21.567 -13.878 1.00 0.00 H new ATOM 748 N GLU A 54 21.243 19.019 -15.647 1.00 0.00 N ATOM 749 CA GLU A 54 20.702 17.669 -15.540 1.00 0.00 C ATOM 750 C GLU A 54 21.523 16.687 -16.368 1.00 0.00 C ATOM 751 O GLU A 54 22.323 17.087 -17.214 1.00 0.00 O ATOM 752 CB GLU A 54 19.246 17.639 -16.005 1.00 0.00 C ATOM 753 CG GLU A 54 18.268 18.237 -15.006 1.00 0.00 C ATOM 754 CD GLU A 54 18.740 18.105 -13.571 1.00 0.00 C ATOM 755 OE1 GLU A 54 19.026 16.966 -13.144 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.824 19.139 -12.877 1.00 0.00 O ATOM 0 H GLU A 54 21.380 19.343 -16.604 1.00 0.00 H new ATOM 0 HA GLU A 54 20.751 17.371 -14.493 1.00 0.00 H new ATOM 0 HB2 GLU A 54 19.165 18.181 -16.947 1.00 0.00 H new ATOM 0 HB3 GLU A 54 18.960 16.606 -16.205 1.00 0.00 H new ATOM 0 HG2 GLU A 54 18.117 19.291 -15.239 1.00 0.00 H new ATOM 0 HG3 GLU A 54 17.301 17.746 -15.112 1.00 0.00 H new ATOM 763 N PRO A 55 21.321 15.383 -16.139 1.00 0.00 N ATOM 764 CA PRO A 55 22.030 14.333 -16.873 1.00 0.00 C ATOM 765 C PRO A 55 21.863 14.496 -18.378 1.00 0.00 C ATOM 766 O PRO A 55 20.798 14.897 -18.849 1.00 0.00 O ATOM 767 CB PRO A 55 21.362 13.041 -16.395 1.00 0.00 C ATOM 768 CG PRO A 55 20.760 13.384 -15.076 1.00 0.00 C ATOM 769 CD PRO A 55 20.373 14.833 -15.157 1.00 0.00 C ATOM 0 HA PRO A 55 23.104 14.354 -16.691 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.602 12.705 -17.100 1.00 0.00 H new ATOM 0 HB3 PRO A 55 22.088 12.233 -16.300 1.00 0.00 H new ATOM 0 HG2 PRO A 55 19.890 12.760 -14.871 1.00 0.00 H new ATOM 0 HG3 PRO A 55 21.471 13.216 -14.268 1.00 0.00 H new ATOM 0 HD2 PRO A 55 19.340 14.956 -15.483 1.00 0.00 H new ATOM 0 HD3 PRO A 55 20.463 15.328 -14.190 1.00 0.00 H new ATOM 777 N CYS A 56 22.914 14.197 -19.132 1.00 0.00 N ATOM 778 CA CYS A 56 22.857 14.331 -20.580 1.00 0.00 C ATOM 779 C CYS A 56 22.473 13.017 -21.253 1.00 0.00 C ATOM 780 O CYS A 56 22.232 12.013 -20.584 1.00 0.00 O ATOM 781 CB CYS A 56 24.184 14.844 -21.127 1.00 0.00 C ATOM 782 SG CYS A 56 23.979 15.928 -22.574 1.00 0.00 S ATOM 0 H CYS A 56 23.807 13.864 -18.768 1.00 0.00 H new ATOM 0 HA CYS A 56 22.080 15.060 -20.810 1.00 0.00 H new ATOM 0 HB2 CYS A 56 24.709 15.389 -20.342 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.811 13.996 -21.400 1.00 0.00 H new ATOM 787 N VAL A 57 22.397 13.037 -22.584 1.00 0.00 N ATOM 788 CA VAL A 57 22.014 11.850 -23.343 1.00 0.00 C ATOM 789 C VAL A 57 22.949 11.591 -24.526 1.00 0.00 C ATOM 790 O VAL A 57 22.518 11.567 -25.679 1.00 0.00 O ATOM 791 CB VAL A 57 20.565 11.975 -23.861 1.00 0.00 C ATOM 792 CG1 VAL A 57 20.488 12.933 -25.041 1.00 0.00 C ATOM 793 CG2 VAL A 57 20.014 10.608 -24.238 1.00 0.00 C ATOM 0 H VAL A 57 22.595 13.859 -23.155 1.00 0.00 H new ATOM 0 HA VAL A 57 22.090 11.006 -22.657 1.00 0.00 H new ATOM 0 HB VAL A 57 19.951 12.384 -23.058 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.457 13.003 -25.386 1.00 0.00 H new ATOM 0 HG12 VAL A 57 20.835 13.919 -24.732 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.118 12.564 -25.851 1.00 0.00 H new ATOM 0 HG21 VAL A 57 18.992 10.715 -24.601 1.00 0.00 H new ATOM 0 HG22 VAL A 57 20.633 10.169 -25.021 1.00 0.00 H new ATOM 0 HG23 VAL A 57 20.022 9.958 -23.363 1.00 0.00 H new ATOM 803 N LEU A 58 24.228 11.372 -24.242 1.00 0.00 N ATOM 804 CA LEU A 58 25.193 11.093 -25.304 1.00 0.00 C ATOM 805 C LEU A 58 25.562 9.614 -25.333 1.00 0.00 C ATOM 806 O LEU A 58 25.293 8.875 -24.385 1.00 0.00 O ATOM 807 CB LEU A 58 26.466 11.938 -25.160 1.00 0.00 C ATOM 808 CG LEU A 58 26.661 12.632 -23.814 1.00 0.00 C ATOM 809 CD1 LEU A 58 25.558 13.643 -23.578 1.00 0.00 C ATOM 810 CD2 LEU A 58 26.721 11.615 -22.683 1.00 0.00 C ATOM 0 H LEU A 58 24.619 11.381 -23.300 1.00 0.00 H new ATOM 0 HA LEU A 58 24.710 11.361 -26.244 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.327 11.295 -25.343 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.464 12.698 -25.941 1.00 0.00 H new ATOM 0 HG LEU A 58 27.613 13.163 -23.834 1.00 0.00 H new ATOM 0 HD11 LEU A 58 25.710 14.130 -22.615 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.576 14.392 -24.370 1.00 0.00 H new ATOM 0 HD13 LEU A 58 24.593 13.136 -23.580 1.00 0.00 H new ATOM 0 HD21 LEU A 58 26.860 12.134 -21.734 1.00 0.00 H new ATOM 0 HD22 LEU A 58 25.790 11.048 -22.653 1.00 0.00 H new ATOM 0 HD23 LEU A 58 27.555 10.934 -22.850 1.00 0.00 H new ATOM 822 N PRO A 59 26.185 9.166 -26.433 1.00 0.00 N ATOM 823 CA PRO A 59 26.510 10.032 -27.569 1.00 0.00 C ATOM 824 C PRO A 59 25.270 10.490 -28.322 1.00 0.00 C ATOM 825 O PRO A 59 24.367 9.699 -28.596 1.00 0.00 O ATOM 826 CB PRO A 59 27.372 9.148 -28.479 1.00 0.00 C ATOM 827 CG PRO A 59 27.730 7.952 -27.658 1.00 0.00 C ATOM 828 CD PRO A 59 26.622 7.785 -26.659 1.00 0.00 C ATOM 0 HA PRO A 59 27.010 10.943 -27.240 1.00 0.00 H new ATOM 0 HB2 PRO A 59 26.825 8.858 -29.376 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.265 9.679 -28.808 1.00 0.00 H new ATOM 0 HG2 PRO A 59 27.827 7.065 -28.284 1.00 0.00 H new ATOM 0 HG3 PRO A 59 28.688 8.096 -27.157 1.00 0.00 H new ATOM 0 HD2 PRO A 59 25.816 7.163 -27.048 1.00 0.00 H new ATOM 0 HD3 PRO A 59 26.972 7.315 -25.740 1.00 0.00 H new ATOM 836 N PHE A 60 25.233 11.771 -28.659 1.00 0.00 N ATOM 837 CA PHE A 60 24.106 12.337 -29.389 1.00 0.00 C ATOM 838 C PHE A 60 24.526 12.723 -30.803 1.00 0.00 C ATOM 839 O PHE A 60 25.666 12.488 -31.204 1.00 0.00 O ATOM 840 CB PHE A 60 23.554 13.559 -28.655 1.00 0.00 C ATOM 841 CG PHE A 60 24.611 14.558 -28.289 1.00 0.00 C ATOM 842 CD1 PHE A 60 24.978 15.553 -29.179 1.00 0.00 C ATOM 843 CD2 PHE A 60 25.239 14.497 -27.058 1.00 0.00 C ATOM 844 CE1 PHE A 60 25.955 16.470 -28.847 1.00 0.00 C ATOM 845 CE2 PHE A 60 26.216 15.412 -26.719 1.00 0.00 C ATOM 846 CZ PHE A 60 26.574 16.399 -27.615 1.00 0.00 C ATOM 0 H PHE A 60 25.971 12.440 -28.439 1.00 0.00 H new ATOM 0 HA PHE A 60 23.323 11.581 -29.450 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.807 14.044 -29.283 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.045 13.231 -27.749 1.00 0.00 H new ATOM 0 HD1 PHE A 60 24.495 15.612 -30.143 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.962 13.726 -26.355 1.00 0.00 H new ATOM 0 HE1 PHE A 60 26.235 17.241 -29.549 1.00 0.00 H new ATOM 0 HE2 PHE A 60 26.699 15.355 -25.755 1.00 0.00 H new ATOM 0 HZ PHE A 60 27.338 17.116 -27.352 1.00 0.00 H new ATOM 856 N THR A 61 23.604 13.315 -31.553 1.00 0.00 N ATOM 857 CA THR A 61 23.889 13.730 -32.920 1.00 0.00 C ATOM 858 C THR A 61 23.585 15.208 -33.117 1.00 0.00 C ATOM 859 O THR A 61 22.486 15.672 -32.815 1.00 0.00 O ATOM 860 CB THR A 61 23.072 12.911 -33.938 1.00 0.00 C ATOM 861 OG1 THR A 61 22.434 11.809 -33.282 1.00 0.00 O ATOM 862 CG2 THR A 61 23.967 12.394 -35.056 1.00 0.00 C ATOM 0 H THR A 61 22.655 13.518 -31.238 1.00 0.00 H new ATOM 0 HA THR A 61 24.951 13.552 -33.090 1.00 0.00 H new ATOM 0 HB THR A 61 22.313 13.562 -34.372 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.916 11.295 -33.936 1.00 0.00 H new ATOM 0 HG21 THR A 61 23.370 11.819 -35.763 1.00 0.00 H new ATOM 0 HG22 THR A 61 24.429 13.236 -35.572 1.00 0.00 H new ATOM 0 HG23 THR A 61 24.744 11.757 -34.635 1.00 0.00 H new ATOM 870 N TYR A 62 24.566 15.944 -33.628 1.00 0.00 N ATOM 871 CA TYR A 62 24.399 17.370 -33.867 1.00 0.00 C ATOM 872 C TYR A 62 25.201 17.815 -35.084 1.00 0.00 C ATOM 873 O TYR A 62 26.379 17.486 -35.217 1.00 0.00 O ATOM 874 CB TYR A 62 24.832 18.172 -32.639 1.00 0.00 C ATOM 875 CG TYR A 62 24.761 19.669 -32.844 1.00 0.00 C ATOM 876 CD1 TYR A 62 23.557 20.349 -32.718 1.00 0.00 C ATOM 877 CD2 TYR A 62 25.897 20.399 -33.166 1.00 0.00 C ATOM 878 CE1 TYR A 62 23.487 21.716 -32.908 1.00 0.00 C ATOM 879 CE2 TYR A 62 25.836 21.766 -33.357 1.00 0.00 C ATOM 880 CZ TYR A 62 24.629 22.420 -33.227 1.00 0.00 C ATOM 881 OH TYR A 62 24.563 23.781 -33.418 1.00 0.00 O ATOM 0 H TYR A 62 25.482 15.576 -33.884 1.00 0.00 H new ATOM 0 HA TYR A 62 23.343 17.557 -34.060 1.00 0.00 H new ATOM 0 HB2 TYR A 62 24.200 17.898 -31.794 1.00 0.00 H new ATOM 0 HB3 TYR A 62 25.853 17.897 -32.376 1.00 0.00 H new ATOM 0 HD1 TYR A 62 22.661 19.801 -32.467 1.00 0.00 H new ATOM 0 HD2 TYR A 62 26.844 19.890 -33.269 1.00 0.00 H new ATOM 0 HE1 TYR A 62 22.543 22.230 -32.807 1.00 0.00 H new ATOM 0 HE2 TYR A 62 26.729 22.320 -33.607 1.00 0.00 H new ATOM 0 HH TYR A 62 23.845 24.154 -32.865 1.00 0.00 H new ATOM 891 N ASN A 63 24.556 18.566 -35.969 1.00 0.00 N ATOM 892 CA ASN A 63 25.212 19.055 -37.175 1.00 0.00 C ATOM 893 C ASN A 63 25.492 17.912 -38.147 1.00 0.00 C ATOM 894 O ASN A 63 26.127 18.109 -39.182 1.00 0.00 O ATOM 895 CB ASN A 63 26.516 19.767 -36.815 1.00 0.00 C ATOM 896 CG ASN A 63 26.646 21.114 -37.497 1.00 0.00 C ATOM 897 OD1 ASN A 63 27.167 21.213 -38.609 1.00 0.00 O ATOM 898 ND2 ASN A 63 26.172 22.161 -36.833 1.00 0.00 N ATOM 0 H ASN A 63 23.581 18.849 -35.874 1.00 0.00 H new ATOM 0 HA ASN A 63 24.541 19.763 -37.662 1.00 0.00 H new ATOM 0 HB2 ASN A 63 26.566 19.903 -35.735 1.00 0.00 H new ATOM 0 HB3 ASN A 63 27.360 19.137 -37.096 1.00 0.00 H new ATOM 0 HD21 ASN A 63 26.231 23.094 -37.242 1.00 0.00 H new ATOM 0 HD22 ASN A 63 25.748 22.033 -35.914 1.00 0.00 H new ATOM 905 N GLY A 64 25.013 16.719 -37.808 1.00 0.00 N ATOM 906 CA GLY A 64 25.220 15.567 -38.664 1.00 0.00 C ATOM 907 C GLY A 64 26.261 14.609 -38.117 1.00 0.00 C ATOM 908 O GLY A 64 26.487 13.541 -38.686 1.00 0.00 O ATOM 0 H GLY A 64 24.485 16.530 -36.956 1.00 0.00 H new ATOM 0 HA2 GLY A 64 24.275 15.038 -38.788 1.00 0.00 H new ATOM 0 HA3 GLY A 64 25.528 15.906 -39.653 1.00 0.00 H new ATOM 912 N ARG A 65 26.895 14.986 -37.011 1.00 0.00 N ATOM 913 CA ARG A 65 27.915 14.144 -36.396 1.00 0.00 C ATOM 914 C ARG A 65 27.445 13.615 -35.047 1.00 0.00 C ATOM 915 O ARG A 65 26.246 13.549 -34.776 1.00 0.00 O ATOM 916 CB ARG A 65 29.223 14.918 -36.228 1.00 0.00 C ATOM 917 CG ARG A 65 29.166 15.987 -35.150 1.00 0.00 C ATOM 918 CD ARG A 65 30.350 16.935 -35.248 1.00 0.00 C ATOM 919 NE ARG A 65 30.033 18.124 -36.035 1.00 0.00 N ATOM 920 CZ ARG A 65 30.928 19.047 -36.370 1.00 0.00 C ATOM 921 NH1 ARG A 65 32.192 18.915 -35.992 1.00 0.00 N ATOM 922 NH2 ARG A 65 30.561 20.100 -37.087 1.00 0.00 N ATOM 0 H ARG A 65 26.721 15.865 -36.524 1.00 0.00 H new ATOM 0 HA ARG A 65 28.091 13.296 -37.057 1.00 0.00 H new ATOM 0 HB2 ARG A 65 30.022 14.216 -35.989 1.00 0.00 H new ATOM 0 HB3 ARG A 65 29.483 15.386 -37.178 1.00 0.00 H new ATOM 0 HG2 ARG A 65 28.238 16.551 -35.243 1.00 0.00 H new ATOM 0 HG3 ARG A 65 29.156 15.515 -34.167 1.00 0.00 H new ATOM 0 HD2 ARG A 65 30.659 17.234 -34.247 1.00 0.00 H new ATOM 0 HD3 ARG A 65 31.195 16.415 -35.700 1.00 0.00 H new ATOM 0 HE ARG A 65 29.070 18.253 -36.345 1.00 0.00 H new ATOM 0 HH11 ARG A 65 32.478 18.104 -35.443 1.00 0.00 H new ATOM 0 HH12 ARG A 65 32.878 19.624 -36.250 1.00 0.00 H new ATOM 0 HH21 ARG A 65 29.590 20.203 -37.382 1.00 0.00 H new ATOM 0 HH22 ARG A 65 31.250 20.808 -37.343 1.00 0.00 H new ATOM 936 N THR A 66 28.399 13.239 -34.203 1.00 0.00 N ATOM 937 CA THR A 66 28.086 12.712 -32.881 1.00 0.00 C ATOM 938 C THR A 66 29.119 13.161 -31.854 1.00 0.00 C ATOM 939 O THR A 66 30.299 13.311 -32.171 1.00 0.00 O ATOM 940 CB THR A 66 28.021 11.172 -32.894 1.00 0.00 C ATOM 941 OG1 THR A 66 27.111 10.729 -33.909 1.00 0.00 O ATOM 942 CG2 THR A 66 27.579 10.634 -31.542 1.00 0.00 C ATOM 0 H THR A 66 29.396 13.290 -34.411 1.00 0.00 H new ATOM 0 HA THR A 66 27.109 13.106 -32.603 1.00 0.00 H new ATOM 0 HB THR A 66 29.020 10.792 -33.108 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.076 9.750 -33.912 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.541 9.545 -31.578 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.289 10.947 -30.776 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.590 11.023 -31.301 1.00 0.00 H new ATOM 950 N PHE A 67 28.667 13.380 -30.624 1.00 0.00 N ATOM 951 CA PHE A 67 29.555 13.819 -29.554 1.00 0.00 C ATOM 952 C PHE A 67 29.353 12.983 -28.295 1.00 0.00 C ATOM 953 O PHE A 67 28.228 12.616 -27.952 1.00 0.00 O ATOM 954 CB PHE A 67 29.318 15.298 -29.253 1.00 0.00 C ATOM 955 CG PHE A 67 29.155 16.131 -30.491 1.00 0.00 C ATOM 956 CD1 PHE A 67 28.092 15.912 -31.353 1.00 0.00 C ATOM 957 CD2 PHE A 67 30.067 17.129 -30.796 1.00 0.00 C ATOM 958 CE1 PHE A 67 27.943 16.672 -32.498 1.00 0.00 C ATOM 959 CE2 PHE A 67 29.922 17.893 -31.937 1.00 0.00 C ATOM 960 CZ PHE A 67 28.858 17.664 -32.789 1.00 0.00 C ATOM 0 H PHE A 67 27.693 13.261 -30.344 1.00 0.00 H new ATOM 0 HA PHE A 67 30.584 13.683 -29.886 1.00 0.00 H new ATOM 0 HB2 PHE A 67 28.426 15.399 -28.634 1.00 0.00 H new ATOM 0 HB3 PHE A 67 30.155 15.683 -28.671 1.00 0.00 H new ATOM 0 HD1 PHE A 67 27.372 15.139 -31.128 1.00 0.00 H new ATOM 0 HD2 PHE A 67 30.900 17.311 -30.134 1.00 0.00 H new ATOM 0 HE1 PHE A 67 27.112 16.490 -33.164 1.00 0.00 H new ATOM 0 HE2 PHE A 67 30.639 18.668 -32.163 1.00 0.00 H new ATOM 0 HZ PHE A 67 28.742 18.261 -33.682 1.00 0.00 H new ATOM 970 N TYR A 68 30.452 12.683 -27.610 1.00 0.00 N ATOM 971 CA TYR A 68 30.402 11.886 -26.390 1.00 0.00 C ATOM 972 C TYR A 68 30.186 12.769 -25.164 1.00 0.00 C ATOM 973 O TYR A 68 30.080 12.272 -24.044 1.00 0.00 O ATOM 974 CB TYR A 68 31.695 11.085 -26.231 1.00 0.00 C ATOM 975 CG TYR A 68 31.834 9.950 -27.222 1.00 0.00 C ATOM 976 CD1 TYR A 68 30.776 9.584 -28.043 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.025 9.247 -27.337 1.00 0.00 C ATOM 978 CE1 TYR A 68 30.900 8.549 -28.949 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.161 8.212 -28.241 1.00 0.00 C ATOM 980 CZ TYR A 68 32.095 7.866 -29.046 1.00 0.00 C ATOM 981 OH TYR A 68 32.223 6.835 -29.948 1.00 0.00 O ATOM 0 H TYR A 68 31.390 12.981 -27.880 1.00 0.00 H new ATOM 0 HA TYR A 68 29.559 11.199 -26.471 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.545 11.758 -26.342 1.00 0.00 H new ATOM 0 HB3 TYR A 68 31.739 10.680 -25.220 1.00 0.00 H new ATOM 0 HD1 TYR A 68 29.840 10.118 -27.972 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.861 9.514 -26.708 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.066 8.276 -29.578 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.096 7.677 -28.317 1.00 0.00 H new ATOM 0 HH TYR A 68 31.485 6.870 -30.591 1.00 0.00 H new ATOM 991 N SER A 69 30.121 14.080 -25.381 1.00 0.00 N ATOM 992 CA SER A 69 29.918 15.020 -24.285 1.00 0.00 C ATOM 993 C SER A 69 29.571 16.410 -24.809 1.00 0.00 C ATOM 994 O SER A 69 29.179 16.571 -25.966 1.00 0.00 O ATOM 995 CB SER A 69 31.171 15.095 -23.410 1.00 0.00 C ATOM 996 OG SER A 69 31.856 13.856 -23.391 1.00 0.00 O ATOM 0 H SER A 69 30.206 14.513 -26.301 1.00 0.00 H new ATOM 0 HA SER A 69 29.082 14.659 -23.686 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.834 15.875 -23.785 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.892 15.375 -22.394 1.00 0.00 H new ATOM 0 HG SER A 69 31.232 13.141 -23.145 1.00 0.00 H new ATOM 1002 N CYS A 70 29.716 17.411 -23.946 1.00 0.00 N ATOM 1003 CA CYS A 70 29.419 18.787 -24.309 1.00 0.00 C ATOM 1004 C CYS A 70 30.246 19.228 -25.513 1.00 0.00 C ATOM 1005 O CYS A 70 31.097 18.484 -26.002 1.00 0.00 O ATOM 1006 CB CYS A 70 29.693 19.707 -23.121 1.00 0.00 C ATOM 1007 SG CYS A 70 28.738 19.298 -21.625 1.00 0.00 S ATOM 0 H CYS A 70 30.039 17.291 -22.986 1.00 0.00 H new ATOM 0 HA CYS A 70 28.365 18.850 -24.580 1.00 0.00 H new ATOM 0 HB2 CYS A 70 30.756 19.667 -22.882 1.00 0.00 H new ATOM 0 HB3 CYS A 70 29.470 20.734 -23.412 1.00 0.00 H new ATOM 1012 N THR A 71 29.989 20.443 -25.987 1.00 0.00 N ATOM 1013 CA THR A 71 30.707 20.986 -27.134 1.00 0.00 C ATOM 1014 C THR A 71 30.276 22.419 -27.422 1.00 0.00 C ATOM 1015 O THR A 71 29.282 22.899 -26.877 1.00 0.00 O ATOM 1016 CB THR A 71 30.478 20.132 -28.395 1.00 0.00 C ATOM 1017 OG1 THR A 71 31.277 20.629 -29.476 1.00 0.00 O ATOM 1018 CG2 THR A 71 29.011 20.146 -28.794 1.00 0.00 C ATOM 0 H THR A 71 29.288 21.071 -25.594 1.00 0.00 H new ATOM 0 HA THR A 71 31.767 20.971 -26.880 1.00 0.00 H new ATOM 0 HB THR A 71 30.770 19.106 -28.172 1.00 0.00 H new ATOM 0 HG1 THR A 71 31.127 20.079 -30.273 1.00 0.00 H new ATOM 0 HG21 THR A 71 28.871 19.537 -29.687 1.00 0.00 H new ATOM 0 HG22 THR A 71 28.409 19.741 -27.981 1.00 0.00 H new ATOM 0 HG23 THR A 71 28.700 21.170 -29.001 1.00 0.00 H new ATOM 1026 N THR A 72 31.028 23.096 -28.283 1.00 0.00 N ATOM 1027 CA THR A 72 30.720 24.474 -28.643 1.00 0.00 C ATOM 1028 C THR A 72 30.586 24.632 -30.155 1.00 0.00 C ATOM 1029 O THR A 72 30.977 25.654 -30.719 1.00 0.00 O ATOM 1030 CB THR A 72 31.800 25.443 -28.129 1.00 0.00 C ATOM 1031 OG1 THR A 72 33.095 24.839 -28.240 1.00 0.00 O ATOM 1032 CG2 THR A 72 31.537 25.824 -26.680 1.00 0.00 C ATOM 0 H THR A 72 31.854 22.713 -28.744 1.00 0.00 H new ATOM 0 HA THR A 72 29.769 24.719 -28.171 1.00 0.00 H new ATOM 0 HB THR A 72 31.767 26.346 -28.739 1.00 0.00 H new ATOM 0 HG1 THR A 72 33.776 25.463 -27.912 1.00 0.00 H new ATOM 0 HG21 THR A 72 32.312 26.509 -26.337 1.00 0.00 H new ATOM 0 HG22 THR A 72 30.564 26.309 -26.602 1.00 0.00 H new ATOM 0 HG23 THR A 72 31.546 24.927 -26.061 1.00 0.00 H new ATOM 1040 N GLU A 73 30.031 23.613 -30.803 1.00 0.00 N ATOM 1041 CA GLU A 73 29.843 23.634 -32.249 1.00 0.00 C ATOM 1042 C GLU A 73 28.499 24.257 -32.616 1.00 0.00 C ATOM 1043 O GLU A 73 28.074 24.204 -33.771 1.00 0.00 O ATOM 1044 CB GLU A 73 29.920 22.214 -32.811 1.00 0.00 C ATOM 1045 CG GLU A 73 31.337 21.683 -32.940 1.00 0.00 C ATOM 1046 CD GLU A 73 31.975 22.043 -34.268 1.00 0.00 C ATOM 1047 OE1 GLU A 73 32.603 23.119 -34.353 1.00 0.00 O ATOM 1048 OE2 GLU A 73 31.846 21.248 -35.223 1.00 0.00 O ATOM 0 H GLU A 73 29.703 22.761 -30.348 1.00 0.00 H new ATOM 0 HA GLU A 73 30.638 24.240 -32.684 1.00 0.00 H new ATOM 0 HB2 GLU A 73 29.349 21.546 -32.166 1.00 0.00 H new ATOM 0 HB3 GLU A 73 29.444 22.195 -33.791 1.00 0.00 H new ATOM 0 HG2 GLU A 73 31.946 22.082 -32.128 1.00 0.00 H new ATOM 0 HG3 GLU A 73 31.327 20.599 -32.828 1.00 0.00 H new ATOM 1055 N GLY A 74 27.831 24.840 -31.627 1.00 0.00 N ATOM 1056 CA GLY A 74 26.539 25.455 -31.870 1.00 0.00 C ATOM 1057 C GLY A 74 26.520 26.939 -31.554 1.00 0.00 C ATOM 1058 O GLY A 74 25.518 27.614 -31.790 1.00 0.00 O ATOM 0 H GLY A 74 28.160 24.898 -30.663 1.00 0.00 H new ATOM 0 HA2 GLY A 74 26.263 25.308 -32.914 1.00 0.00 H new ATOM 0 HA3 GLY A 74 25.784 24.951 -31.267 1.00 0.00 H new ATOM 1122 N HIS A 79 30.800 28.492 -25.036 1.00 0.00 N ATOM 1123 CA HIS A 79 30.156 27.806 -23.921 1.00 0.00 C ATOM 1124 C HIS A 79 29.839 26.359 -24.286 1.00 0.00 C ATOM 1125 O HIS A 79 29.063 26.095 -25.206 1.00 0.00 O ATOM 1126 CB HIS A 79 28.873 28.533 -23.514 1.00 0.00 C ATOM 1127 CG HIS A 79 29.043 30.012 -23.352 1.00 0.00 C ATOM 1128 ND1 HIS A 79 30.262 30.648 -23.460 1.00 0.00 N ATOM 1129 CD2 HIS A 79 28.137 30.984 -23.086 1.00 0.00 C ATOM 1130 CE1 HIS A 79 30.099 31.945 -23.267 1.00 0.00 C ATOM 1131 NE2 HIS A 79 28.820 32.175 -23.040 1.00 0.00 N ATOM 0 HA HIS A 79 30.847 27.809 -23.078 1.00 0.00 H new ATOM 0 HB2 HIS A 79 28.106 28.345 -24.265 1.00 0.00 H new ATOM 0 HB3 HIS A 79 28.510 28.113 -22.576 1.00 0.00 H new ATOM 0 HD1 HIS A 79 31.151 30.189 -23.658 1.00 0.00 H new ATOM 0 HD2 HIS A 79 27.076 30.848 -22.938 1.00 0.00 H new ATOM 0 HE1 HIS A 79 30.880 32.690 -23.291 1.00 0.00 H new ATOM 1140 N LEU A 80 30.444 25.425 -23.560 1.00 0.00 N ATOM 1141 CA LEU A 80 30.230 24.005 -23.805 1.00 0.00 C ATOM 1142 C LEU A 80 28.795 23.608 -23.476 1.00 0.00 C ATOM 1143 O LEU A 80 28.286 23.917 -22.399 1.00 0.00 O ATOM 1144 CB LEU A 80 31.206 23.175 -22.973 1.00 0.00 C ATOM 1145 CG LEU A 80 32.627 23.090 -23.533 1.00 0.00 C ATOM 1146 CD1 LEU A 80 33.299 24.454 -23.488 1.00 0.00 C ATOM 1147 CD2 LEU A 80 33.444 22.065 -22.759 1.00 0.00 C ATOM 0 H LEU A 80 31.088 25.627 -22.795 1.00 0.00 H new ATOM 0 HA LEU A 80 30.407 23.810 -24.863 1.00 0.00 H new ATOM 0 HB2 LEU A 80 31.253 23.596 -21.969 1.00 0.00 H new ATOM 0 HB3 LEU A 80 30.809 22.164 -22.877 1.00 0.00 H new ATOM 0 HG LEU A 80 32.570 22.769 -24.573 1.00 0.00 H new ATOM 0 HD11 LEU A 80 34.309 24.375 -23.890 1.00 0.00 H new ATOM 0 HD12 LEU A 80 32.725 25.162 -24.085 1.00 0.00 H new ATOM 0 HD13 LEU A 80 33.345 24.803 -22.456 1.00 0.00 H new ATOM 0 HD21 LEU A 80 34.452 22.017 -23.171 1.00 0.00 H new ATOM 0 HD22 LEU A 80 33.494 22.357 -21.710 1.00 0.00 H new ATOM 0 HD23 LEU A 80 32.972 21.086 -22.841 1.00 0.00 H new ATOM 1159 N TRP A 81 28.148 22.918 -24.409 1.00 0.00 N ATOM 1160 CA TRP A 81 26.773 22.477 -24.217 1.00 0.00 C ATOM 1161 C TRP A 81 26.600 21.025 -24.644 1.00 0.00 C ATOM 1162 O TRP A 81 27.396 20.496 -25.419 1.00 0.00 O ATOM 1163 CB TRP A 81 25.814 23.365 -25.009 1.00 0.00 C ATOM 1164 CG TRP A 81 26.033 23.299 -26.490 1.00 0.00 C ATOM 1165 CD1 TRP A 81 26.790 24.148 -27.243 1.00 0.00 C ATOM 1166 CD2 TRP A 81 25.491 22.331 -27.396 1.00 0.00 C ATOM 1167 NE1 TRP A 81 26.747 23.772 -28.563 1.00 0.00 N ATOM 1168 CE2 TRP A 81 25.958 22.660 -28.684 1.00 0.00 C ATOM 1169 CE3 TRP A 81 24.656 21.221 -27.247 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 25.617 21.918 -29.812 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 24.319 20.485 -28.367 1.00 0.00 C ATOM 1172 CH2 TRP A 81 24.800 20.836 -29.635 1.00 0.00 C ATOM 0 H TRP A 81 28.555 22.652 -25.306 1.00 0.00 H new ATOM 0 HA TRP A 81 26.541 22.556 -23.155 1.00 0.00 H new ATOM 0 HB2 TRP A 81 24.789 23.070 -24.787 1.00 0.00 H new ATOM 0 HB3 TRP A 81 25.927 24.397 -24.677 1.00 0.00 H new ATOM 0 HD1 TRP A 81 27.342 24.992 -26.857 1.00 0.00 H new ATOM 0 HE1 TRP A 81 27.226 24.245 -29.330 1.00 0.00 H new ATOM 0 HE3 TRP A 81 24.280 20.943 -26.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 25.985 22.187 -30.791 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 23.674 19.625 -28.263 1.00 0.00 H new ATOM 0 HH2 TRP A 81 24.520 20.240 -30.491 1.00 0.00 H new ATOM 1183 N CYS A 82 25.551 20.388 -24.136 1.00 0.00 N ATOM 1184 CA CYS A 82 25.268 18.999 -24.465 1.00 0.00 C ATOM 1185 C CYS A 82 23.757 18.773 -24.574 1.00 0.00 C ATOM 1186 O CYS A 82 22.975 19.699 -24.366 1.00 0.00 O ATOM 1187 CB CYS A 82 25.895 18.077 -23.416 1.00 0.00 C ATOM 1188 SG CYS A 82 24.812 17.685 -22.010 1.00 0.00 S ATOM 0 H CYS A 82 24.882 20.814 -23.494 1.00 0.00 H new ATOM 0 HA CYS A 82 25.709 18.763 -25.434 1.00 0.00 H new ATOM 0 HB2 CYS A 82 26.192 17.146 -23.900 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.805 18.544 -23.038 1.00 0.00 H new ATOM 1193 N SER A 83 23.345 17.552 -24.920 1.00 0.00 N ATOM 1194 CA SER A 83 21.918 17.253 -25.074 1.00 0.00 C ATOM 1195 C SER A 83 21.451 16.158 -24.117 1.00 0.00 C ATOM 1196 O SER A 83 21.954 15.035 -24.148 1.00 0.00 O ATOM 1197 CB SER A 83 21.623 16.837 -26.517 1.00 0.00 C ATOM 1198 OG SER A 83 20.495 15.981 -26.580 1.00 0.00 O ATOM 0 H SER A 83 23.968 16.764 -25.097 1.00 0.00 H new ATOM 0 HA SER A 83 21.368 18.162 -24.829 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.445 17.724 -27.125 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.492 16.331 -26.938 1.00 0.00 H new ATOM 0 HG SER A 83 20.336 15.718 -27.510 1.00 0.00 H new ATOM 1204 N THR A 84 20.476 16.493 -23.276 1.00 0.00 N ATOM 1205 CA THR A 84 19.931 15.542 -22.312 1.00 0.00 C ATOM 1206 C THR A 84 18.819 14.701 -22.929 1.00 0.00 C ATOM 1207 O THR A 84 18.437 13.664 -22.385 1.00 0.00 O ATOM 1208 CB THR A 84 19.381 16.258 -21.063 1.00 0.00 C ATOM 1209 OG1 THR A 84 18.120 16.865 -21.363 1.00 0.00 O ATOM 1210 CG2 THR A 84 20.353 17.319 -20.566 1.00 0.00 C ATOM 0 H THR A 84 20.047 17.418 -23.243 1.00 0.00 H new ATOM 0 HA THR A 84 20.754 14.890 -22.018 1.00 0.00 H new ATOM 0 HB THR A 84 19.251 15.514 -20.277 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.776 17.317 -20.564 1.00 0.00 H new ATOM 0 HG21 THR A 84 19.939 17.808 -19.684 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.303 16.850 -20.309 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.515 18.060 -21.349 1.00 0.00 H new ATOM 1218 N THR A 85 18.303 15.151 -24.067 1.00 0.00 N ATOM 1219 CA THR A 85 17.236 14.435 -24.757 1.00 0.00 C ATOM 1220 C THR A 85 17.691 13.983 -26.140 1.00 0.00 C ATOM 1221 O THR A 85 18.317 14.747 -26.875 1.00 0.00 O ATOM 1222 CB THR A 85 15.975 15.308 -24.902 1.00 0.00 C ATOM 1223 OG1 THR A 85 15.407 15.569 -23.614 1.00 0.00 O ATOM 1224 CG2 THR A 85 14.942 14.628 -25.789 1.00 0.00 C ATOM 0 H THR A 85 18.606 16.007 -24.531 1.00 0.00 H new ATOM 0 HA THR A 85 16.993 13.562 -24.151 1.00 0.00 H new ATOM 0 HB THR A 85 16.266 16.250 -25.368 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.607 16.126 -23.716 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.061 15.264 -25.876 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.367 14.460 -26.779 1.00 0.00 H new ATOM 0 HG23 THR A 85 14.657 13.672 -25.349 1.00 0.00 H new ATOM 1232 N SER A 86 17.374 12.741 -26.489 1.00 0.00 N ATOM 1233 CA SER A 86 17.753 12.197 -27.788 1.00 0.00 C ATOM 1234 C SER A 86 17.410 13.178 -28.901 1.00 0.00 C ATOM 1235 O SER A 86 18.227 13.450 -29.781 1.00 0.00 O ATOM 1236 CB SER A 86 17.053 10.859 -28.033 1.00 0.00 C ATOM 1237 OG SER A 86 16.289 10.469 -26.906 1.00 0.00 O ATOM 0 H SER A 86 16.858 12.094 -25.893 1.00 0.00 H new ATOM 0 HA SER A 86 18.831 12.034 -27.788 1.00 0.00 H new ATOM 0 HB2 SER A 86 16.405 10.939 -28.906 1.00 0.00 H new ATOM 0 HB3 SER A 86 17.795 10.092 -28.256 1.00 0.00 H new ATOM 0 HG SER A 86 16.890 10.175 -26.189 1.00 0.00 H new ATOM 1243 N ASN A 87 16.194 13.713 -28.853 1.00 0.00 N ATOM 1244 CA ASN A 87 15.738 14.671 -29.852 1.00 0.00 C ATOM 1245 C ASN A 87 15.836 16.095 -29.318 1.00 0.00 C ATOM 1246 O ASN A 87 14.821 16.739 -29.051 1.00 0.00 O ATOM 1247 CB ASN A 87 14.295 14.367 -30.259 1.00 0.00 C ATOM 1248 CG ASN A 87 14.162 14.060 -31.738 1.00 0.00 C ATOM 1249 OD1 ASN A 87 14.957 13.307 -32.301 1.00 0.00 O ATOM 1250 ND2 ASN A 87 13.154 14.643 -32.375 1.00 0.00 N ATOM 0 H ASN A 87 15.506 13.498 -28.131 1.00 0.00 H new ATOM 0 HA ASN A 87 16.382 14.582 -30.727 1.00 0.00 H new ATOM 0 HB2 ASN A 87 13.929 13.519 -29.681 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.663 15.220 -30.010 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.014 14.474 -33.371 1.00 0.00 H new ATOM 0 HD22 ASN A 87 12.519 15.260 -31.868 1.00 0.00 H new ATOM 1257 N TYR A 88 17.062 16.584 -29.166 1.00 0.00 N ATOM 1258 CA TYR A 88 17.290 17.933 -28.667 1.00 0.00 C ATOM 1259 C TYR A 88 16.923 18.957 -29.734 1.00 0.00 C ATOM 1260 O TYR A 88 16.573 20.096 -29.426 1.00 0.00 O ATOM 1261 CB TYR A 88 18.753 18.099 -28.235 1.00 0.00 C ATOM 1262 CG TYR A 88 19.303 19.497 -28.427 1.00 0.00 C ATOM 1263 CD1 TYR A 88 19.072 20.492 -27.487 1.00 0.00 C ATOM 1264 CD2 TYR A 88 20.054 19.817 -29.552 1.00 0.00 C ATOM 1265 CE1 TYR A 88 19.575 21.769 -27.660 1.00 0.00 C ATOM 1266 CE2 TYR A 88 20.561 21.090 -29.731 1.00 0.00 C ATOM 1267 CZ TYR A 88 20.319 22.062 -28.784 1.00 0.00 C ATOM 1268 OH TYR A 88 20.821 23.331 -28.960 1.00 0.00 O ATOM 0 H TYR A 88 17.913 16.065 -29.382 1.00 0.00 H new ATOM 0 HA TYR A 88 16.655 18.100 -27.797 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.843 17.827 -27.183 1.00 0.00 H new ATOM 0 HB3 TYR A 88 19.368 17.398 -28.799 1.00 0.00 H new ATOM 0 HD1 TYR A 88 18.490 20.265 -26.606 1.00 0.00 H new ATOM 0 HD2 TYR A 88 20.244 19.059 -30.298 1.00 0.00 H new ATOM 0 HE1 TYR A 88 19.386 22.532 -26.919 1.00 0.00 H new ATOM 0 HE2 TYR A 88 21.145 21.322 -30.609 1.00 0.00 H new ATOM 0 HH TYR A 88 21.322 23.371 -29.801 1.00 0.00 H new ATOM 1278 N GLU A 89 17.004 18.538 -30.991 1.00 0.00 N ATOM 1279 CA GLU A 89 16.677 19.414 -32.107 1.00 0.00 C ATOM 1280 C GLU A 89 15.196 19.775 -32.088 1.00 0.00 C ATOM 1281 O GLU A 89 14.758 20.685 -32.793 1.00 0.00 O ATOM 1282 CB GLU A 89 17.039 18.745 -33.434 1.00 0.00 C ATOM 1283 CG GLU A 89 18.535 18.596 -33.651 1.00 0.00 C ATOM 1284 CD GLU A 89 18.890 18.316 -35.099 1.00 0.00 C ATOM 1285 OE1 GLU A 89 18.432 17.283 -35.633 1.00 0.00 O ATOM 1286 OE2 GLU A 89 19.622 19.130 -35.699 1.00 0.00 O ATOM 0 H GLU A 89 17.293 17.598 -31.262 1.00 0.00 H new ATOM 0 HA GLU A 89 17.259 20.330 -32.006 1.00 0.00 H new ATOM 0 HB2 GLU A 89 16.575 17.760 -33.473 1.00 0.00 H new ATOM 0 HB3 GLU A 89 16.618 19.329 -34.253 1.00 0.00 H new ATOM 0 HG2 GLU A 89 19.038 19.507 -33.327 1.00 0.00 H new ATOM 0 HG3 GLU A 89 18.910 17.786 -33.026 1.00 0.00 H new ATOM 1293 N GLN A 90 14.428 19.054 -31.275 1.00 0.00 N ATOM 1294 CA GLN A 90 12.994 19.295 -31.161 1.00 0.00 C ATOM 1295 C GLN A 90 12.617 19.627 -29.718 1.00 0.00 C ATOM 1296 O GLN A 90 11.805 20.518 -29.467 1.00 0.00 O ATOM 1297 CB GLN A 90 12.214 18.070 -31.667 1.00 0.00 C ATOM 1298 CG GLN A 90 11.032 17.665 -30.794 1.00 0.00 C ATOM 1299 CD GLN A 90 9.858 18.614 -30.922 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.035 19.826 -31.051 1.00 0.00 O ATOM 1301 NE2 GLN A 90 8.648 18.068 -30.885 1.00 0.00 N ATOM 0 H GLN A 90 14.776 18.298 -30.686 1.00 0.00 H new ATOM 0 HA GLN A 90 12.730 20.153 -31.780 1.00 0.00 H new ATOM 0 HB2 GLN A 90 11.851 18.277 -32.674 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.899 17.226 -31.743 1.00 0.00 H new ATOM 0 HG2 GLN A 90 10.712 16.659 -31.066 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.351 17.627 -29.752 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.547 17.059 -30.777 1.00 0.00 H new ATOM 0 HE22 GLN A 90 7.820 18.658 -30.965 1.00 0.00 H new ATOM 1310 N ASP A 91 13.212 18.905 -28.777 1.00 0.00 N ATOM 1311 CA ASP A 91 12.940 19.120 -27.361 1.00 0.00 C ATOM 1312 C ASP A 91 13.546 20.436 -26.884 1.00 0.00 C ATOM 1313 O ASP A 91 12.903 21.204 -26.168 1.00 0.00 O ATOM 1314 CB ASP A 91 13.493 17.959 -26.532 1.00 0.00 C ATOM 1315 CG ASP A 91 12.591 16.741 -26.569 1.00 0.00 C ATOM 1316 OD1 ASP A 91 12.381 16.193 -27.672 1.00 0.00 O ATOM 1317 OD2 ASP A 91 12.097 16.335 -25.497 1.00 0.00 O ATOM 0 H ASP A 91 13.887 18.165 -28.969 1.00 0.00 H new ATOM 0 HA ASP A 91 11.859 19.170 -27.228 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.481 17.688 -26.905 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.620 18.282 -25.499 1.00 0.00 H new ATOM 1322 N GLN A 92 14.788 20.689 -27.286 1.00 0.00 N ATOM 1323 CA GLN A 92 15.482 21.912 -26.900 1.00 0.00 C ATOM 1324 C GLN A 92 16.039 21.802 -25.485 1.00 0.00 C ATOM 1325 O GLN A 92 16.407 22.804 -24.872 1.00 0.00 O ATOM 1326 CB GLN A 92 14.539 23.112 -26.998 1.00 0.00 C ATOM 1327 CG GLN A 92 15.240 24.407 -27.372 1.00 0.00 C ATOM 1328 CD GLN A 92 15.036 24.782 -28.827 1.00 0.00 C ATOM 1329 OE1 GLN A 92 14.580 25.883 -29.139 1.00 0.00 O ATOM 1330 NE2 GLN A 92 15.374 23.866 -29.727 1.00 0.00 N ATOM 0 H GLN A 92 15.334 20.063 -27.879 1.00 0.00 H new ATOM 0 HA GLN A 92 16.316 22.057 -27.587 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.769 22.899 -27.739 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.033 23.245 -26.042 1.00 0.00 H new ATOM 0 HG2 GLN A 92 14.870 25.212 -26.738 1.00 0.00 H new ATOM 0 HG3 GLN A 92 16.307 24.309 -27.172 1.00 0.00 H new ATOM 0 HE21 GLN A 92 15.748 22.967 -29.424 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.260 24.062 -30.722 1.00 0.00 H new ATOM 1339 N LYS A 93 16.101 20.576 -24.972 1.00 0.00 N ATOM 1340 CA LYS A 93 16.616 20.334 -23.629 1.00 0.00 C ATOM 1341 C LYS A 93 18.122 20.097 -23.665 1.00 0.00 C ATOM 1342 O LYS A 93 18.581 18.995 -23.964 1.00 0.00 O ATOM 1343 CB LYS A 93 15.911 19.132 -22.999 1.00 0.00 C ATOM 1344 CG LYS A 93 14.501 19.436 -22.518 1.00 0.00 C ATOM 1345 CD LYS A 93 13.818 20.465 -23.404 1.00 0.00 C ATOM 1346 CE LYS A 93 12.323 20.522 -23.141 1.00 0.00 C ATOM 1347 NZ LYS A 93 11.968 21.604 -22.182 1.00 0.00 N ATOM 0 H LYS A 93 15.801 19.736 -25.466 1.00 0.00 H new ATOM 0 HA LYS A 93 16.418 21.218 -23.022 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.871 18.322 -23.728 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.504 18.774 -22.157 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.914 18.518 -22.506 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.537 19.804 -21.493 1.00 0.00 H new ATOM 0 HD2 LYS A 93 14.257 21.447 -23.228 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.995 20.220 -24.451 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.795 20.683 -24.081 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.987 19.563 -22.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.939 21.609 -22.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.451 21.437 -21.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 12.265 22.522 -22.569 1.00 0.00 H new ATOM 1361 N TYR A 94 18.888 21.141 -23.362 1.00 0.00 N ATOM 1362 CA TYR A 94 20.342 21.046 -23.366 1.00 0.00 C ATOM 1363 C TYR A 94 20.937 21.621 -22.084 1.00 0.00 C ATOM 1364 O TYR A 94 20.260 22.320 -21.331 1.00 0.00 O ATOM 1365 CB TYR A 94 20.914 21.781 -24.581 1.00 0.00 C ATOM 1366 CG TYR A 94 20.930 23.286 -24.430 1.00 0.00 C ATOM 1367 CD1 TYR A 94 19.824 24.051 -24.777 1.00 0.00 C ATOM 1368 CD2 TYR A 94 22.053 23.941 -23.940 1.00 0.00 C ATOM 1369 CE1 TYR A 94 19.837 25.425 -24.642 1.00 0.00 C ATOM 1370 CE2 TYR A 94 22.073 25.315 -23.801 1.00 0.00 C ATOM 1371 CZ TYR A 94 20.964 26.053 -24.154 1.00 0.00 C ATOM 1372 OH TYR A 94 20.979 27.422 -24.016 1.00 0.00 O ATOM 0 H TYR A 94 18.525 22.061 -23.111 1.00 0.00 H new ATOM 0 HA TYR A 94 20.610 19.991 -23.422 1.00 0.00 H new ATOM 0 HB2 TYR A 94 21.931 21.432 -24.760 1.00 0.00 H new ATOM 0 HB3 TYR A 94 20.328 21.519 -25.462 1.00 0.00 H new ATOM 0 HD1 TYR A 94 18.939 23.563 -25.159 1.00 0.00 H new ATOM 0 HD2 TYR A 94 22.925 23.366 -23.663 1.00 0.00 H new ATOM 0 HE1 TYR A 94 18.969 26.005 -24.917 1.00 0.00 H new ATOM 0 HE2 TYR A 94 22.954 25.809 -23.417 1.00 0.00 H new ATOM 0 HH TYR A 94 21.846 27.705 -23.658 1.00 0.00 H new ATOM 1382 N SER A 95 22.210 21.320 -21.846 1.00 0.00 N ATOM 1383 CA SER A 95 22.904 21.805 -20.659 1.00 0.00 C ATOM 1384 C SER A 95 24.312 22.272 -21.010 1.00 0.00 C ATOM 1385 O SER A 95 24.971 21.695 -21.876 1.00 0.00 O ATOM 1386 CB SER A 95 22.965 20.708 -19.595 1.00 0.00 C ATOM 1387 OG SER A 95 22.627 19.445 -20.143 1.00 0.00 O ATOM 0 H SER A 95 22.782 20.741 -22.461 1.00 0.00 H new ATOM 0 HA SER A 95 22.348 22.654 -20.261 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.967 20.666 -19.169 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.282 20.949 -18.781 1.00 0.00 H new ATOM 0 HG SER A 95 23.388 19.095 -20.652 1.00 0.00 H new ATOM 1393 N PHE A 96 24.769 23.322 -20.336 1.00 0.00 N ATOM 1394 CA PHE A 96 26.100 23.868 -20.580 1.00 0.00 C ATOM 1395 C PHE A 96 27.176 22.989 -19.953 1.00 0.00 C ATOM 1396 O PHE A 96 26.887 21.917 -19.424 1.00 0.00 O ATOM 1397 CB PHE A 96 26.200 25.290 -20.025 1.00 0.00 C ATOM 1398 CG PHE A 96 25.683 26.338 -20.967 1.00 0.00 C ATOM 1399 CD1 PHE A 96 25.970 26.274 -22.321 1.00 0.00 C ATOM 1400 CD2 PHE A 96 24.910 27.389 -20.497 1.00 0.00 C ATOM 1401 CE1 PHE A 96 25.496 27.238 -23.190 1.00 0.00 C ATOM 1402 CE2 PHE A 96 24.433 28.355 -21.362 1.00 0.00 C ATOM 1403 CZ PHE A 96 24.726 28.280 -22.710 1.00 0.00 C ATOM 0 H PHE A 96 24.238 23.812 -19.616 1.00 0.00 H new ATOM 0 HA PHE A 96 26.261 23.892 -21.658 1.00 0.00 H new ATOM 0 HB2 PHE A 96 25.643 25.347 -19.090 1.00 0.00 H new ATOM 0 HB3 PHE A 96 27.242 25.507 -19.789 1.00 0.00 H new ATOM 0 HD1 PHE A 96 26.571 25.461 -22.701 1.00 0.00 H new ATOM 0 HD2 PHE A 96 24.678 27.453 -19.444 1.00 0.00 H new ATOM 0 HE1 PHE A 96 25.727 27.177 -24.243 1.00 0.00 H new ATOM 0 HE2 PHE A 96 23.831 29.168 -20.984 1.00 0.00 H new ATOM 0 HZ PHE A 96 24.354 29.034 -23.387 1.00 0.00 H new ATOM 1413 N CYS A 97 28.420 23.453 -20.017 1.00 0.00 N ATOM 1414 CA CYS A 97 29.545 22.713 -19.458 1.00 0.00 C ATOM 1415 C CYS A 97 30.631 23.668 -18.972 1.00 0.00 C ATOM 1416 O CYS A 97 31.174 24.452 -19.750 1.00 0.00 O ATOM 1417 CB CYS A 97 30.120 21.754 -20.503 1.00 0.00 C ATOM 1418 SG CYS A 97 29.890 19.992 -20.104 1.00 0.00 S ATOM 0 H CYS A 97 28.674 24.340 -20.452 1.00 0.00 H new ATOM 0 HA CYS A 97 29.185 22.136 -18.606 1.00 0.00 H new ATOM 0 HB2 CYS A 97 29.653 21.961 -21.466 1.00 0.00 H new ATOM 0 HB3 CYS A 97 31.186 21.954 -20.616 1.00 0.00 H new ATOM 1423 N THR A 98 30.943 23.600 -17.681 1.00 0.00 N ATOM 1424 CA THR A 98 31.959 24.458 -17.095 1.00 0.00 C ATOM 1425 C THR A 98 33.293 24.306 -17.818 1.00 0.00 C ATOM 1426 O THR A 98 33.546 24.976 -18.820 1.00 0.00 O ATOM 1427 CB THR A 98 32.153 24.142 -15.602 1.00 0.00 C ATOM 1428 OG1 THR A 98 32.347 22.733 -15.419 1.00 0.00 O ATOM 1429 CG2 THR A 98 30.953 24.601 -14.790 1.00 0.00 C ATOM 0 H THR A 98 30.504 22.957 -17.022 1.00 0.00 H new ATOM 0 HA THR A 98 31.613 25.486 -17.202 1.00 0.00 H new ATOM 0 HB THR A 98 33.035 24.679 -15.253 1.00 0.00 H new ATOM 0 HG1 THR A 98 32.471 22.541 -14.466 1.00 0.00 H new ATOM 0 HG21 THR A 98 31.114 24.366 -13.738 1.00 0.00 H new ATOM 0 HG22 THR A 98 30.825 25.677 -14.906 1.00 0.00 H new ATOM 0 HG23 THR A 98 30.058 24.089 -15.143 1.00 0.00 H new