USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=25 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 -120:sc= -0.532 USER MOD Set 1.2: A 84 THR OG1 : rot -56:sc= -7.33! USER MOD Set 1.3: A 93 LYS NZ :NH3+ -166:sc= -0.437! (180deg=-1.65!) USER MOD Set 2.1: A 3 HIS : no HD1:sc= -1.41 K(o=-1.6,f=-2.5) USER MOD Set 2.2: A 13 SER OG : rot -74:sc= -0.23 USER MOD Single : A 6 THR OG1 : rot -170:sc= -1.95! USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -67:sc= -1.18! USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -1.78 X(o=-1.8,f=-2) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.16 USER MOD Single : A 34 ASN : amide:sc= -2.55! C(o=-2.6!,f=-13!) 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= -0.395 K(o=-0.4,f=-1.3) USER MOD Single : A 46 THR OG1 : rot -160:sc= -1.01 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.0127 X(o=-0.013,f=-0.32) USER MOD Single : A 52 ASN : amide:sc= -0.931! C(o=-0.93!,f=-1.6!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -0.219 USER MOD Single : A 63 ASN : amide:sc= -0.199 K(o=-0.2,f=-1.1) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 SER OG : rot -123:sc= 0.325 USER MOD Single : A 71 THR OG1 : rot 165:sc= 0.0393 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=-0.0062) USER MOD Single : A 83 SER OG : rot 112:sc= -2.73! USER MOD Single : A 85 THR OG1 : rot -165:sc= -3.16! USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.106 X(o=-0.11,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.776 X(o=-0.78,f=-0.3) USER MOD Single : A 92 GLN : amide:sc= -1.3 K(o=-1.3,f=-0.45) USER MOD Single : A 94 TYR OH : rot 9:sc= 0.624 USER MOD Single : A 95 SER OG : rot 91:sc= -0.643 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 45.627 3.369 -40.316 1.00 0.00 N ATOM 32 CA HIS A 3 44.646 2.802 -39.398 1.00 0.00 C ATOM 33 C HIS A 3 45.062 3.037 -37.950 1.00 0.00 C ATOM 34 O HIS A 3 46.251 3.141 -37.645 1.00 0.00 O ATOM 35 CB HIS A 3 44.484 1.302 -39.655 1.00 0.00 C ATOM 36 CG HIS A 3 43.204 0.947 -40.345 1.00 0.00 C ATOM 37 ND1 HIS A 3 43.058 0.959 -41.716 1.00 0.00 N ATOM 38 CD2 HIS A 3 42.005 0.559 -39.845 1.00 0.00 C ATOM 39 CE1 HIS A 3 41.827 0.597 -42.030 1.00 0.00 C ATOM 40 NE2 HIS A 3 41.168 0.349 -40.913 1.00 0.00 N ATOM 0 HA HIS A 3 43.691 3.299 -39.571 1.00 0.00 H new ATOM 0 HB2 HIS A 3 45.322 0.953 -40.259 1.00 0.00 H new ATOM 0 HB3 HIS A 3 44.534 0.772 -38.704 1.00 0.00 H new ATOM 0 HD2 HIS A 3 41.755 0.438 -38.801 1.00 0.00 H new ATOM 0 HE1 HIS A 3 41.428 0.517 -43.030 1.00 0.00 H new ATOM 0 HE2 HIS A 3 40.195 0.050 -40.853 1.00 0.00 H new ATOM 49 N CYS A 4 44.078 3.116 -37.061 1.00 0.00 N ATOM 50 CA CYS A 4 44.349 3.334 -35.645 1.00 0.00 C ATOM 51 C CYS A 4 43.729 2.227 -34.802 1.00 0.00 C ATOM 52 O CYS A 4 42.720 1.636 -35.183 1.00 0.00 O ATOM 53 CB CYS A 4 43.816 4.699 -35.206 1.00 0.00 C ATOM 54 SG CYS A 4 42.440 5.327 -36.231 1.00 0.00 S ATOM 0 H CYS A 4 43.089 3.033 -37.295 1.00 0.00 H new ATOM 0 HA CYS A 4 45.428 3.316 -35.495 1.00 0.00 H new ATOM 0 HB2 CYS A 4 43.482 4.631 -34.171 1.00 0.00 H new ATOM 0 HB3 CYS A 4 44.632 5.421 -35.231 1.00 0.00 H new ATOM 59 N VAL A 5 44.343 1.942 -33.660 1.00 0.00 N ATOM 60 CA VAL A 5 43.854 0.899 -32.768 1.00 0.00 C ATOM 61 C VAL A 5 44.568 0.946 -31.423 1.00 0.00 C ATOM 62 O VAL A 5 45.796 1.012 -31.362 1.00 0.00 O ATOM 63 CB VAL A 5 44.040 -0.500 -33.385 1.00 0.00 C ATOM 64 CG1 VAL A 5 45.512 -0.886 -33.397 1.00 0.00 C ATOM 65 CG2 VAL A 5 43.216 -1.532 -32.632 1.00 0.00 C ATOM 0 H VAL A 5 45.182 2.420 -33.330 1.00 0.00 H new ATOM 0 HA VAL A 5 42.790 1.085 -32.619 1.00 0.00 H new ATOM 0 HB VAL A 5 43.687 -0.472 -34.416 1.00 0.00 H new ATOM 0 HG11 VAL A 5 45.625 -1.877 -33.836 1.00 0.00 H new ATOM 0 HG12 VAL A 5 46.073 -0.162 -33.987 1.00 0.00 H new ATOM 0 HG13 VAL A 5 45.894 -0.896 -32.376 1.00 0.00 H new ATOM 0 HG21 VAL A 5 43.361 -2.513 -33.083 1.00 0.00 H new ATOM 0 HG22 VAL A 5 43.534 -1.561 -31.590 1.00 0.00 H new ATOM 0 HG23 VAL A 5 42.161 -1.262 -32.682 1.00 0.00 H new ATOM 75 N THR A 6 43.791 0.912 -30.345 1.00 0.00 N ATOM 76 CA THR A 6 44.348 0.952 -28.999 1.00 0.00 C ATOM 77 C THR A 6 44.810 -0.431 -28.548 1.00 0.00 C ATOM 78 O THR A 6 45.249 -0.609 -27.413 1.00 0.00 O ATOM 79 CB THR A 6 43.324 1.490 -27.984 1.00 0.00 C ATOM 80 OG1 THR A 6 42.395 0.457 -27.631 1.00 0.00 O ATOM 81 CG2 THR A 6 42.571 2.682 -28.558 1.00 0.00 C ATOM 0 H THR A 6 42.773 0.857 -30.378 1.00 0.00 H new ATOM 0 HA THR A 6 45.205 1.624 -29.035 1.00 0.00 H new ATOM 0 HB THR A 6 43.862 1.814 -27.093 1.00 0.00 H new ATOM 0 HG1 THR A 6 41.658 0.843 -27.112 1.00 0.00 H new ATOM 0 HG21 THR A 6 41.852 3.046 -27.824 1.00 0.00 H new ATOM 0 HG22 THR A 6 43.277 3.476 -28.800 1.00 0.00 H new ATOM 0 HG23 THR A 6 42.043 2.378 -29.462 1.00 0.00 H new ATOM 89 N ASP A 7 44.708 -1.407 -29.446 1.00 0.00 N ATOM 90 CA ASP A 7 45.116 -2.774 -29.136 1.00 0.00 C ATOM 91 C ASP A 7 44.139 -3.430 -28.165 1.00 0.00 C ATOM 92 O ASP A 7 44.351 -4.563 -27.730 1.00 0.00 O ATOM 93 CB ASP A 7 46.526 -2.784 -28.544 1.00 0.00 C ATOM 94 CG ASP A 7 47.530 -2.070 -29.428 1.00 0.00 C ATOM 95 OD1 ASP A 7 47.122 -1.545 -30.484 1.00 0.00 O ATOM 96 OD2 ASP A 7 48.724 -2.036 -29.062 1.00 0.00 O ATOM 0 H ASP A 7 44.348 -1.277 -30.391 1.00 0.00 H new ATOM 0 HA ASP A 7 45.114 -3.346 -30.064 1.00 0.00 H new ATOM 0 HB2 ASP A 7 46.508 -2.310 -27.563 1.00 0.00 H new ATOM 0 HB3 ASP A 7 46.847 -3.815 -28.394 1.00 0.00 H new ATOM 101 N SER A 8 43.070 -2.715 -27.827 1.00 0.00 N ATOM 102 CA SER A 8 42.065 -3.232 -26.905 1.00 0.00 C ATOM 103 C SER A 8 40.901 -3.866 -27.661 1.00 0.00 C ATOM 104 O SER A 8 39.918 -4.295 -27.057 1.00 0.00 O ATOM 105 CB SER A 8 41.551 -2.113 -25.998 1.00 0.00 C ATOM 106 OG SER A 8 42.155 -2.174 -24.718 1.00 0.00 O ATOM 0 H SER A 8 42.878 -1.777 -28.178 1.00 0.00 H new ATOM 0 HA SER A 8 42.535 -4.001 -26.292 1.00 0.00 H new ATOM 0 HB2 SER A 8 41.759 -1.146 -26.456 1.00 0.00 H new ATOM 0 HB3 SER A 8 40.469 -2.192 -25.897 1.00 0.00 H new ATOM 0 HG SER A 8 41.810 -1.447 -24.159 1.00 0.00 H new ATOM 112 N GLY A 9 41.016 -3.923 -28.984 1.00 0.00 N ATOM 113 CA GLY A 9 39.963 -4.508 -29.794 1.00 0.00 C ATOM 114 C GLY A 9 39.315 -3.499 -30.721 1.00 0.00 C ATOM 115 O GLY A 9 38.545 -3.866 -31.608 1.00 0.00 O ATOM 0 H GLY A 9 41.818 -3.575 -29.509 1.00 0.00 H new ATOM 0 HA2 GLY A 9 40.375 -5.326 -30.384 1.00 0.00 H new ATOM 0 HA3 GLY A 9 39.203 -4.937 -29.141 1.00 0.00 H new ATOM 119 N VAL A 10 39.626 -2.225 -30.514 1.00 0.00 N ATOM 120 CA VAL A 10 39.067 -1.161 -31.337 1.00 0.00 C ATOM 121 C VAL A 10 40.002 -0.811 -32.490 1.00 0.00 C ATOM 122 O VAL A 10 41.045 -0.187 -32.290 1.00 0.00 O ATOM 123 CB VAL A 10 38.795 0.110 -30.510 1.00 0.00 C ATOM 124 CG1 VAL A 10 37.544 0.815 -31.012 1.00 0.00 C ATOM 125 CG2 VAL A 10 38.665 -0.230 -29.032 1.00 0.00 C ATOM 0 H VAL A 10 40.262 -1.904 -29.784 1.00 0.00 H new ATOM 0 HA VAL A 10 38.123 -1.534 -31.735 1.00 0.00 H new ATOM 0 HB VAL A 10 39.641 0.787 -30.631 1.00 0.00 H new ATOM 0 HG11 VAL A 10 37.367 1.711 -30.416 1.00 0.00 H new ATOM 0 HG12 VAL A 10 37.679 1.095 -32.057 1.00 0.00 H new ATOM 0 HG13 VAL A 10 36.689 0.145 -30.923 1.00 0.00 H new ATOM 0 HG21 VAL A 10 38.473 0.681 -28.465 1.00 0.00 H new ATOM 0 HG22 VAL A 10 37.839 -0.927 -28.890 1.00 0.00 H new ATOM 0 HG23 VAL A 10 39.590 -0.688 -28.681 1.00 0.00 H new ATOM 135 N VAL A 11 39.622 -1.219 -33.696 1.00 0.00 N ATOM 136 CA VAL A 11 40.424 -0.952 -34.882 1.00 0.00 C ATOM 137 C VAL A 11 39.923 0.283 -35.621 1.00 0.00 C ATOM 138 O VAL A 11 39.202 0.178 -36.614 1.00 0.00 O ATOM 139 CB VAL A 11 40.417 -2.152 -35.848 1.00 0.00 C ATOM 140 CG1 VAL A 11 41.516 -2.004 -36.888 1.00 0.00 C ATOM 141 CG2 VAL A 11 40.570 -3.456 -35.080 1.00 0.00 C ATOM 0 H VAL A 11 38.762 -1.737 -33.877 1.00 0.00 H new ATOM 0 HA VAL A 11 41.444 -0.777 -34.539 1.00 0.00 H new ATOM 0 HB VAL A 11 39.458 -2.174 -36.366 1.00 0.00 H new ATOM 0 HG11 VAL A 11 41.497 -2.860 -37.562 1.00 0.00 H new ATOM 0 HG12 VAL A 11 41.356 -1.089 -37.459 1.00 0.00 H new ATOM 0 HG13 VAL A 11 42.484 -1.956 -36.390 1.00 0.00 H new ATOM 0 HG21 VAL A 11 40.563 -4.293 -35.779 1.00 0.00 H new ATOM 0 HG22 VAL A 11 41.513 -3.448 -34.533 1.00 0.00 H new ATOM 0 HG23 VAL A 11 39.744 -3.563 -34.377 1.00 0.00 H new ATOM 151 N TYR A 12 40.315 1.453 -35.131 1.00 0.00 N ATOM 152 CA TYR A 12 39.914 2.714 -35.741 1.00 0.00 C ATOM 153 C TYR A 12 40.627 2.922 -37.073 1.00 0.00 C ATOM 154 O TYR A 12 41.391 2.067 -37.521 1.00 0.00 O ATOM 155 CB TYR A 12 40.226 3.877 -34.799 1.00 0.00 C ATOM 156 CG TYR A 12 39.479 3.814 -33.488 1.00 0.00 C ATOM 157 CD1 TYR A 12 38.172 4.274 -33.389 1.00 0.00 C ATOM 158 CD2 TYR A 12 40.081 3.291 -32.352 1.00 0.00 C ATOM 159 CE1 TYR A 12 37.486 4.213 -32.190 1.00 0.00 C ATOM 160 CE2 TYR A 12 39.402 3.227 -31.151 1.00 0.00 C ATOM 161 CZ TYR A 12 38.105 3.688 -31.075 1.00 0.00 C ATOM 162 OH TYR A 12 37.426 3.626 -29.880 1.00 0.00 O ATOM 0 H TYR A 12 40.912 1.554 -34.310 1.00 0.00 H new ATOM 0 HA TYR A 12 38.840 2.678 -35.924 1.00 0.00 H new ATOM 0 HB2 TYR A 12 41.297 3.892 -34.596 1.00 0.00 H new ATOM 0 HB3 TYR A 12 39.984 4.814 -35.300 1.00 0.00 H new ATOM 0 HD1 TYR A 12 37.685 4.685 -34.261 1.00 0.00 H new ATOM 0 HD2 TYR A 12 41.097 2.928 -32.408 1.00 0.00 H new ATOM 0 HE1 TYR A 12 36.470 4.575 -32.127 1.00 0.00 H new ATOM 0 HE2 TYR A 12 39.885 2.818 -30.276 1.00 0.00 H new ATOM 0 HH TYR A 12 37.263 4.534 -29.549 1.00 0.00 H new ATOM 172 N SER A 13 40.374 4.065 -37.698 1.00 0.00 N ATOM 173 CA SER A 13 40.993 4.391 -38.978 1.00 0.00 C ATOM 174 C SER A 13 41.451 5.845 -39.006 1.00 0.00 C ATOM 175 O SER A 13 40.794 6.724 -38.451 1.00 0.00 O ATOM 176 CB SER A 13 40.015 4.125 -40.122 1.00 0.00 C ATOM 177 OG SER A 13 39.913 2.739 -40.395 1.00 0.00 O ATOM 0 H SER A 13 39.744 4.783 -37.340 1.00 0.00 H new ATOM 0 HA SER A 13 41.868 3.754 -39.105 1.00 0.00 H new ATOM 0 HB2 SER A 13 39.033 4.521 -39.864 1.00 0.00 H new ATOM 0 HB3 SER A 13 40.346 4.652 -41.017 1.00 0.00 H new ATOM 0 HG SER A 13 40.719 2.438 -40.864 1.00 0.00 H new ATOM 183 N VAL A 14 42.586 6.085 -39.653 1.00 0.00 N ATOM 184 CA VAL A 14 43.148 7.427 -39.758 1.00 0.00 C ATOM 185 C VAL A 14 42.057 8.489 -39.843 1.00 0.00 C ATOM 186 O VAL A 14 41.621 8.861 -40.933 1.00 0.00 O ATOM 187 CB VAL A 14 44.061 7.555 -40.991 1.00 0.00 C ATOM 188 CG1 VAL A 14 43.351 7.045 -42.235 1.00 0.00 C ATOM 189 CG2 VAL A 14 44.507 8.997 -41.177 1.00 0.00 C ATOM 0 H VAL A 14 43.138 5.363 -40.115 1.00 0.00 H new ATOM 0 HA VAL A 14 43.734 7.589 -38.853 1.00 0.00 H new ATOM 0 HB VAL A 14 44.948 6.942 -40.830 1.00 0.00 H new ATOM 0 HG11 VAL A 14 44.011 7.143 -43.097 1.00 0.00 H new ATOM 0 HG12 VAL A 14 43.086 5.997 -42.099 1.00 0.00 H new ATOM 0 HG13 VAL A 14 42.446 7.629 -42.403 1.00 0.00 H new ATOM 0 HG21 VAL A 14 45.152 9.068 -42.053 1.00 0.00 H new ATOM 0 HG22 VAL A 14 43.633 9.633 -41.317 1.00 0.00 H new ATOM 0 HG23 VAL A 14 45.057 9.325 -40.295 1.00 0.00 H new ATOM 199 N GLY A 15 41.627 8.980 -38.686 1.00 0.00 N ATOM 200 CA GLY A 15 40.599 10.004 -38.648 1.00 0.00 C ATOM 201 C GLY A 15 39.237 9.460 -38.266 1.00 0.00 C ATOM 202 O GLY A 15 38.252 9.676 -38.971 1.00 0.00 O ATOM 0 H GLY A 15 41.972 8.687 -37.772 1.00 0.00 H new ATOM 0 HA2 GLY A 15 40.889 10.776 -37.935 1.00 0.00 H new ATOM 0 HA3 GLY A 15 40.533 10.481 -39.626 1.00 0.00 H new ATOM 206 N MET A 16 39.182 8.757 -37.142 1.00 0.00 N ATOM 207 CA MET A 16 37.932 8.184 -36.659 1.00 0.00 C ATOM 208 C MET A 16 37.717 8.528 -35.189 1.00 0.00 C ATOM 209 O MET A 16 37.513 7.642 -34.360 1.00 0.00 O ATOM 210 CB MET A 16 37.935 6.668 -36.850 1.00 0.00 C ATOM 211 CG MET A 16 37.024 6.192 -37.971 1.00 0.00 C ATOM 212 SD MET A 16 35.484 5.482 -37.359 1.00 0.00 S ATOM 213 CE MET A 16 35.985 3.787 -37.069 1.00 0.00 C ATOM 0 H MET A 16 39.989 8.570 -36.547 1.00 0.00 H new ATOM 0 HA MET A 16 37.112 8.610 -37.238 1.00 0.00 H new ATOM 0 HB2 MET A 16 38.953 6.339 -37.056 1.00 0.00 H new ATOM 0 HB3 MET A 16 37.629 6.193 -35.918 1.00 0.00 H new ATOM 0 HG2 MET A 16 36.797 7.030 -38.630 1.00 0.00 H new ATOM 0 HG3 MET A 16 37.550 5.449 -38.570 1.00 0.00 H new ATOM 0 HE1 MET A 16 35.138 3.217 -36.687 1.00 0.00 H new ATOM 0 HE2 MET A 16 36.328 3.344 -38.004 1.00 0.00 H new ATOM 0 HE3 MET A 16 36.795 3.767 -36.339 1.00 0.00 H new ATOM 223 N GLN A 17 37.771 9.820 -34.881 1.00 0.00 N ATOM 224 CA GLN A 17 37.591 10.301 -33.514 1.00 0.00 C ATOM 225 C GLN A 17 36.648 9.400 -32.723 1.00 0.00 C ATOM 226 O GLN A 17 35.568 9.046 -33.196 1.00 0.00 O ATOM 227 CB GLN A 17 37.050 11.731 -33.524 1.00 0.00 C ATOM 228 CG GLN A 17 38.069 12.764 -33.976 1.00 0.00 C ATOM 229 CD GLN A 17 37.494 14.166 -34.026 1.00 0.00 C ATOM 230 OE1 GLN A 17 36.929 14.581 -35.037 1.00 0.00 O ATOM 231 NE2 GLN A 17 37.637 14.903 -32.931 1.00 0.00 N ATOM 0 H GLN A 17 37.939 10.558 -35.565 1.00 0.00 H new ATOM 0 HA GLN A 17 38.566 10.284 -33.027 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.182 11.777 -34.181 1.00 0.00 H new ATOM 0 HB3 GLN A 17 36.705 11.987 -32.522 1.00 0.00 H new ATOM 0 HG2 GLN A 17 38.922 12.749 -33.297 1.00 0.00 H new ATOM 0 HG3 GLN A 17 38.442 12.493 -34.963 1.00 0.00 H new ATOM 0 HE21 GLN A 17 38.113 14.517 -32.115 1.00 0.00 H new ATOM 0 HE22 GLN A 17 37.271 15.855 -32.905 1.00 0.00 H new ATOM 240 N TRP A 18 37.064 9.037 -31.513 1.00 0.00 N ATOM 241 CA TRP A 18 36.257 8.184 -30.651 1.00 0.00 C ATOM 242 C TRP A 18 36.408 8.593 -29.190 1.00 0.00 C ATOM 243 O TRP A 18 37.061 9.589 -28.879 1.00 0.00 O ATOM 244 CB TRP A 18 36.648 6.714 -30.835 1.00 0.00 C ATOM 245 CG TRP A 18 37.983 6.364 -30.250 1.00 0.00 C ATOM 246 CD1 TRP A 18 38.233 5.936 -28.979 1.00 0.00 C ATOM 247 CD2 TRP A 18 39.249 6.402 -30.919 1.00 0.00 C ATOM 248 NE1 TRP A 18 39.578 5.705 -28.815 1.00 0.00 N ATOM 249 CE2 TRP A 18 40.223 5.984 -29.993 1.00 0.00 C ATOM 250 CE3 TRP A 18 39.654 6.747 -32.211 1.00 0.00 C ATOM 251 CZ2 TRP A 18 41.576 5.905 -30.322 1.00 0.00 C ATOM 252 CZ3 TRP A 18 40.993 6.667 -32.534 1.00 0.00 C ATOM 253 CH2 TRP A 18 41.939 6.249 -31.595 1.00 0.00 C ATOM 0 H TRP A 18 37.956 9.321 -31.108 1.00 0.00 H new ATOM 0 HA TRP A 18 35.212 8.306 -30.935 1.00 0.00 H new ATOM 0 HB2 TRP A 18 35.885 6.085 -30.377 1.00 0.00 H new ATOM 0 HB3 TRP A 18 36.656 6.481 -31.900 1.00 0.00 H new ATOM 0 HD1 TRP A 18 37.484 5.799 -28.214 1.00 0.00 H new ATOM 0 HE1 TRP A 18 40.024 5.379 -27.957 1.00 0.00 H new ATOM 0 HE3 TRP A 18 38.931 7.071 -32.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 42.310 5.584 -29.598 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 41.315 6.932 -33.530 1.00 0.00 H new ATOM 0 HH2 TRP A 18 42.979 6.196 -31.880 1.00 0.00 H new ATOM 264 N LEU A 19 35.799 7.822 -28.296 1.00 0.00 N ATOM 265 CA LEU A 19 35.864 8.109 -26.868 1.00 0.00 C ATOM 266 C LEU A 19 36.405 6.909 -26.097 1.00 0.00 C ATOM 267 O LEU A 19 35.748 5.872 -26.003 1.00 0.00 O ATOM 268 CB LEU A 19 34.478 8.489 -26.341 1.00 0.00 C ATOM 269 CG LEU A 19 34.477 9.498 -25.190 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.414 10.922 -25.722 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.315 9.228 -24.247 1.00 0.00 C ATOM 0 H LEU A 19 35.255 6.993 -28.535 1.00 0.00 H new ATOM 0 HA LEU A 19 36.544 8.948 -26.720 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.893 8.899 -27.164 1.00 0.00 H new ATOM 0 HB3 LEU A 19 33.971 7.583 -26.010 1.00 0.00 H new ATOM 0 HG LEU A 19 35.407 9.383 -24.634 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.414 11.623 -24.887 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.280 11.112 -26.356 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.502 11.053 -26.305 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.329 9.954 -23.435 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.376 9.313 -24.793 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.406 8.222 -23.836 1.00 0.00 H new ATOM 283 N LYS A 20 37.608 7.057 -25.551 1.00 0.00 N ATOM 284 CA LYS A 20 38.238 5.982 -24.793 1.00 0.00 C ATOM 285 C LYS A 20 38.693 6.469 -23.420 1.00 0.00 C ATOM 286 O LYS A 20 38.822 7.670 -23.185 1.00 0.00 O ATOM 287 CB LYS A 20 39.431 5.419 -25.566 1.00 0.00 C ATOM 288 CG LYS A 20 40.391 4.616 -24.703 1.00 0.00 C ATOM 289 CD LYS A 20 41.660 4.261 -25.459 1.00 0.00 C ATOM 290 CE LYS A 20 42.893 4.809 -24.760 1.00 0.00 C ATOM 291 NZ LYS A 20 44.123 4.060 -25.134 1.00 0.00 N ATOM 0 H LYS A 20 38.165 7.909 -25.619 1.00 0.00 H new ATOM 0 HA LYS A 20 37.498 5.195 -24.649 1.00 0.00 H new ATOM 0 HB2 LYS A 20 39.064 4.785 -26.373 1.00 0.00 H new ATOM 0 HB3 LYS A 20 39.974 6.242 -26.030 1.00 0.00 H new ATOM 0 HG2 LYS A 20 40.646 5.189 -23.812 1.00 0.00 H new ATOM 0 HG3 LYS A 20 39.901 3.703 -24.365 1.00 0.00 H new ATOM 0 HD2 LYS A 20 41.741 3.178 -25.548 1.00 0.00 H new ATOM 0 HD3 LYS A 20 41.606 4.661 -26.472 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.017 5.861 -25.015 1.00 0.00 H new ATOM 0 HE3 LYS A 20 42.751 4.758 -23.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 44.941 4.465 -24.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 44.015 3.061 -24.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.273 4.130 -26.161 1.00 0.00 H new ATOM 379 N GLN A 26 37.053 9.090 -18.624 1.00 0.00 N ATOM 380 CA GLN A 26 36.767 9.124 -20.052 1.00 0.00 C ATOM 381 C GLN A 26 37.587 10.205 -20.745 1.00 0.00 C ATOM 382 O GLN A 26 37.849 11.265 -20.175 1.00 0.00 O ATOM 383 CB GLN A 26 35.275 9.363 -20.290 1.00 0.00 C ATOM 384 CG GLN A 26 34.637 8.343 -21.219 1.00 0.00 C ATOM 385 CD GLN A 26 33.122 8.414 -21.212 1.00 0.00 C ATOM 386 OE1 GLN A 26 32.536 9.395 -20.752 1.00 0.00 O ATOM 387 NE2 GLN A 26 32.479 7.371 -21.725 1.00 0.00 N ATOM 0 HA GLN A 26 37.043 8.158 -20.476 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.755 9.345 -19.332 1.00 0.00 H new ATOM 0 HB3 GLN A 26 35.137 10.360 -20.709 1.00 0.00 H new ATOM 0 HG2 GLN A 26 35.000 8.505 -22.234 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.951 7.342 -20.924 1.00 0.00 H new ATOM 0 HE21 GLN A 26 33.005 6.579 -22.095 1.00 0.00 H new ATOM 0 HE22 GLN A 26 31.459 7.362 -21.749 1.00 0.00 H new ATOM 396 N MET A 27 37.990 9.928 -21.980 1.00 0.00 N ATOM 397 CA MET A 27 38.782 10.870 -22.760 1.00 0.00 C ATOM 398 C MET A 27 38.585 10.622 -24.252 1.00 0.00 C ATOM 399 O MET A 27 38.533 9.475 -24.696 1.00 0.00 O ATOM 400 CB MET A 27 40.263 10.742 -22.398 1.00 0.00 C ATOM 401 CG MET A 27 40.703 11.685 -21.291 1.00 0.00 C ATOM 402 SD MET A 27 42.314 12.428 -21.612 1.00 0.00 S ATOM 403 CE MET A 27 42.387 13.653 -20.306 1.00 0.00 C ATOM 0 H MET A 27 37.780 9.055 -22.464 1.00 0.00 H new ATOM 0 HA MET A 27 38.448 11.881 -22.526 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.466 9.716 -22.092 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.864 10.934 -23.287 1.00 0.00 H new ATOM 0 HG2 MET A 27 39.960 12.474 -21.174 1.00 0.00 H new ATOM 0 HG3 MET A 27 40.740 11.140 -20.348 1.00 0.00 H new ATOM 0 HE1 MET A 27 43.329 14.198 -20.371 1.00 0.00 H new ATOM 0 HE2 MET A 27 41.556 14.350 -20.414 1.00 0.00 H new ATOM 0 HE3 MET A 27 42.321 13.157 -19.338 1.00 0.00 H new ATOM 413 N LEU A 28 38.471 11.700 -25.022 1.00 0.00 N ATOM 414 CA LEU A 28 38.274 11.580 -26.461 1.00 0.00 C ATOM 415 C LEU A 28 39.592 11.303 -27.173 1.00 0.00 C ATOM 416 O LEU A 28 40.484 12.149 -27.200 1.00 0.00 O ATOM 417 CB LEU A 28 37.637 12.851 -27.024 1.00 0.00 C ATOM 418 CG LEU A 28 36.972 12.679 -28.389 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.458 12.646 -28.247 1.00 0.00 C ATOM 420 CD2 LEU A 28 37.398 13.792 -29.335 1.00 0.00 C ATOM 0 H LEU A 28 38.511 12.659 -24.676 1.00 0.00 H new ATOM 0 HA LEU A 28 37.603 10.739 -26.636 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.893 13.213 -26.315 1.00 0.00 H new ATOM 0 HB3 LEU A 28 38.404 13.622 -27.103 1.00 0.00 H new ATOM 0 HG LEU A 28 37.296 11.728 -28.811 1.00 0.00 H new ATOM 0 HD11 LEU A 28 35.003 12.523 -29.230 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.171 11.812 -27.607 1.00 0.00 H new ATOM 0 HD13 LEU A 28 35.114 13.580 -27.802 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.914 13.653 -30.302 1.00 0.00 H new ATOM 0 HD22 LEU A 28 37.105 14.756 -28.918 1.00 0.00 H new ATOM 0 HD23 LEU A 28 38.480 13.766 -29.463 1.00 0.00 H new ATOM 432 N CYS A 29 39.704 10.110 -27.749 1.00 0.00 N ATOM 433 CA CYS A 29 40.912 9.713 -28.464 1.00 0.00 C ATOM 434 C CYS A 29 40.778 9.985 -29.960 1.00 0.00 C ATOM 435 O CYS A 29 39.741 9.705 -30.561 1.00 0.00 O ATOM 436 CB CYS A 29 41.194 8.227 -28.236 1.00 0.00 C ATOM 437 SG CYS A 29 42.043 7.855 -26.667 1.00 0.00 S ATOM 0 H CYS A 29 38.971 9.400 -27.734 1.00 0.00 H new ATOM 0 HA CYS A 29 41.742 10.304 -28.077 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.250 7.682 -28.263 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.801 7.854 -29.061 1.00 0.00 H new ATOM 442 N THR A 30 41.837 10.522 -30.557 1.00 0.00 N ATOM 443 CA THR A 30 41.841 10.818 -31.987 1.00 0.00 C ATOM 444 C THR A 30 43.122 10.326 -32.644 1.00 0.00 C ATOM 445 O THR A 30 44.223 10.656 -32.200 1.00 0.00 O ATOM 446 CB THR A 30 41.699 12.327 -32.266 1.00 0.00 C ATOM 447 OG1 THR A 30 40.466 12.815 -31.725 1.00 0.00 O ATOM 448 CG2 THR A 30 41.749 12.602 -33.764 1.00 0.00 C ATOM 0 H THR A 30 42.703 10.761 -30.074 1.00 0.00 H new ATOM 0 HA THR A 30 40.981 10.297 -32.408 1.00 0.00 H new ATOM 0 HB THR A 30 42.530 12.844 -31.787 1.00 0.00 H new ATOM 0 HG1 THR A 30 40.386 13.775 -31.906 1.00 0.00 H new ATOM 0 HG21 THR A 30 41.647 13.673 -33.941 1.00 0.00 H new ATOM 0 HG22 THR A 30 42.702 12.257 -34.166 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.934 12.073 -34.258 1.00 0.00 H new ATOM 456 N CYS A 31 42.978 9.546 -33.707 1.00 0.00 N ATOM 457 CA CYS A 31 44.133 9.026 -34.420 1.00 0.00 C ATOM 458 C CYS A 31 44.463 9.900 -35.621 1.00 0.00 C ATOM 459 O CYS A 31 43.733 9.920 -36.612 1.00 0.00 O ATOM 460 CB CYS A 31 43.896 7.582 -34.860 1.00 0.00 C ATOM 461 SG CYS A 31 42.353 7.304 -35.777 1.00 0.00 S ATOM 0 H CYS A 31 42.077 9.262 -34.092 1.00 0.00 H new ATOM 0 HA CYS A 31 44.984 9.041 -33.739 1.00 0.00 H new ATOM 0 HB2 CYS A 31 44.733 7.265 -35.482 1.00 0.00 H new ATOM 0 HB3 CYS A 31 43.896 6.944 -33.976 1.00 0.00 H new ATOM 466 N LEU A 32 45.568 10.629 -35.516 1.00 0.00 N ATOM 467 CA LEU A 32 46.004 11.519 -36.585 1.00 0.00 C ATOM 468 C LEU A 32 46.709 10.740 -37.691 1.00 0.00 C ATOM 469 O LEU A 32 46.068 10.248 -38.621 1.00 0.00 O ATOM 470 CB LEU A 32 46.934 12.605 -36.036 1.00 0.00 C ATOM 471 CG LEU A 32 47.667 12.245 -34.742 1.00 0.00 C ATOM 472 CD1 LEU A 32 49.011 12.951 -34.674 1.00 0.00 C ATOM 473 CD2 LEU A 32 46.814 12.599 -33.532 1.00 0.00 C ATOM 0 H LEU A 32 46.179 10.621 -34.700 1.00 0.00 H new ATOM 0 HA LEU A 32 45.118 11.993 -37.007 1.00 0.00 H new ATOM 0 HB2 LEU A 32 47.675 12.846 -36.799 1.00 0.00 H new ATOM 0 HB3 LEU A 32 46.349 13.508 -35.864 1.00 0.00 H new ATOM 0 HG LEU A 32 47.846 11.170 -34.735 1.00 0.00 H new ATOM 0 HD11 LEU A 32 49.517 12.682 -33.747 1.00 0.00 H new ATOM 0 HD12 LEU A 32 49.624 12.648 -35.523 1.00 0.00 H new ATOM 0 HD13 LEU A 32 48.857 14.030 -34.704 1.00 0.00 H new ATOM 0 HD21 LEU A 32 47.350 12.337 -32.620 1.00 0.00 H new ATOM 0 HD22 LEU A 32 46.605 13.669 -33.535 1.00 0.00 H new ATOM 0 HD23 LEU A 32 45.876 12.046 -33.574 1.00 0.00 H new ATOM 485 N GLY A 33 48.031 10.633 -37.589 1.00 0.00 N ATOM 486 CA GLY A 33 48.793 9.914 -38.594 1.00 0.00 C ATOM 487 C GLY A 33 49.894 9.057 -37.999 1.00 0.00 C ATOM 488 O GLY A 33 50.024 7.881 -38.338 1.00 0.00 O ATOM 0 H GLY A 33 48.586 11.030 -36.831 1.00 0.00 H new ATOM 0 HA2 GLY A 33 48.118 9.281 -39.170 1.00 0.00 H new ATOM 0 HA3 GLY A 33 49.232 10.629 -39.290 1.00 0.00 H new ATOM 492 N ASN A 34 50.686 9.647 -37.115 1.00 0.00 N ATOM 493 CA ASN A 34 51.786 8.932 -36.475 1.00 0.00 C ATOM 494 C ASN A 34 51.286 8.095 -35.302 1.00 0.00 C ATOM 495 O ASN A 34 51.851 7.045 -34.992 1.00 0.00 O ATOM 496 CB ASN A 34 52.854 9.916 -35.995 1.00 0.00 C ATOM 497 CG ASN A 34 52.255 11.185 -35.421 1.00 0.00 C ATOM 498 OD1 ASN A 34 51.287 11.726 -35.955 1.00 0.00 O ATOM 499 ND2 ASN A 34 52.832 11.668 -34.326 1.00 0.00 N ATOM 0 H ASN A 34 50.589 10.620 -36.823 1.00 0.00 H new ATOM 0 HA ASN A 34 52.225 8.262 -37.214 1.00 0.00 H new ATOM 0 HB2 ASN A 34 53.473 9.435 -35.238 1.00 0.00 H new ATOM 0 HB3 ASN A 34 53.509 10.171 -36.828 1.00 0.00 H new ATOM 0 HD21 ASN A 34 52.474 12.520 -33.895 1.00 0.00 H new ATOM 0 HD22 ASN A 34 53.633 11.187 -33.917 1.00 0.00 H new ATOM 506 N GLY A 35 50.227 8.565 -34.653 1.00 0.00 N ATOM 507 CA GLY A 35 49.673 7.845 -33.522 1.00 0.00 C ATOM 508 C GLY A 35 48.249 8.263 -33.213 1.00 0.00 C ATOM 509 O GLY A 35 47.484 8.599 -34.116 1.00 0.00 O ATOM 0 H GLY A 35 49.743 9.431 -34.890 1.00 0.00 H new ATOM 0 HA2 GLY A 35 49.698 6.775 -33.728 1.00 0.00 H new ATOM 0 HA3 GLY A 35 50.297 8.015 -32.645 1.00 0.00 H new ATOM 513 N VAL A 36 47.893 8.245 -31.932 1.00 0.00 N ATOM 514 CA VAL A 36 46.554 8.629 -31.508 1.00 0.00 C ATOM 515 C VAL A 36 46.595 9.484 -30.248 1.00 0.00 C ATOM 516 O VAL A 36 46.988 9.016 -29.179 1.00 0.00 O ATOM 517 CB VAL A 36 45.660 7.402 -31.247 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.260 7.840 -30.844 1.00 0.00 C ATOM 519 CG2 VAL A 36 45.614 6.500 -32.470 1.00 0.00 C ATOM 0 H VAL A 36 48.514 7.969 -31.171 1.00 0.00 H new ATOM 0 HA VAL A 36 46.129 9.209 -32.327 1.00 0.00 H new ATOM 0 HB VAL A 36 46.090 6.832 -30.424 1.00 0.00 H new ATOM 0 HG11 VAL A 36 43.642 6.961 -30.663 1.00 0.00 H new ATOM 0 HG12 VAL A 36 44.314 8.439 -29.935 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.820 8.435 -31.645 1.00 0.00 H new ATOM 0 HG21 VAL A 36 44.977 5.640 -32.264 1.00 0.00 H new ATOM 0 HG22 VAL A 36 45.211 7.055 -33.317 1.00 0.00 H new ATOM 0 HG23 VAL A 36 46.621 6.157 -32.707 1.00 0.00 H new ATOM 529 N SER A 37 46.182 10.740 -30.380 1.00 0.00 N ATOM 530 CA SER A 37 46.164 11.664 -29.254 1.00 0.00 C ATOM 531 C SER A 37 44.738 11.876 -28.757 1.00 0.00 C ATOM 532 O SER A 37 43.829 12.133 -29.546 1.00 0.00 O ATOM 533 CB SER A 37 46.783 13.003 -29.655 1.00 0.00 C ATOM 534 OG SER A 37 47.156 13.756 -28.513 1.00 0.00 O ATOM 0 H SER A 37 45.855 11.141 -31.259 1.00 0.00 H new ATOM 0 HA SER A 37 46.754 11.231 -28.446 1.00 0.00 H new ATOM 0 HB2 SER A 37 47.658 12.829 -30.282 1.00 0.00 H new ATOM 0 HB3 SER A 37 46.071 13.572 -30.253 1.00 0.00 H new ATOM 0 HG SER A 37 47.551 14.607 -28.797 1.00 0.00 H new ATOM 540 N CYS A 38 44.549 11.764 -27.448 1.00 0.00 N ATOM 541 CA CYS A 38 43.232 11.942 -26.852 1.00 0.00 C ATOM 542 C CYS A 38 43.194 13.174 -25.958 1.00 0.00 C ATOM 543 O CYS A 38 44.233 13.696 -25.555 1.00 0.00 O ATOM 544 CB CYS A 38 42.844 10.704 -26.043 1.00 0.00 C ATOM 545 SG CYS A 38 43.597 9.159 -26.639 1.00 0.00 S ATOM 0 H CYS A 38 45.290 11.551 -26.780 1.00 0.00 H new ATOM 0 HA CYS A 38 42.516 12.083 -27.662 1.00 0.00 H new ATOM 0 HB2 CYS A 38 43.132 10.858 -25.003 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.759 10.597 -26.061 1.00 0.00 H new ATOM 550 N GLN A 39 41.985 13.628 -25.648 1.00 0.00 N ATOM 551 CA GLN A 39 41.801 14.795 -24.798 1.00 0.00 C ATOM 552 C GLN A 39 40.630 14.580 -23.847 1.00 0.00 C ATOM 553 O GLN A 39 39.732 13.786 -24.128 1.00 0.00 O ATOM 554 CB GLN A 39 41.563 16.042 -25.652 1.00 0.00 C ATOM 555 CG GLN A 39 40.319 15.957 -26.521 1.00 0.00 C ATOM 556 CD GLN A 39 39.536 17.254 -26.546 1.00 0.00 C ATOM 557 OE1 GLN A 39 38.337 17.275 -26.266 1.00 0.00 O ATOM 558 NE2 GLN A 39 40.211 18.347 -26.884 1.00 0.00 N ATOM 0 H GLN A 39 41.117 13.204 -25.974 1.00 0.00 H new ATOM 0 HA GLN A 39 42.707 14.940 -24.210 1.00 0.00 H new ATOM 0 HB2 GLN A 39 41.480 16.910 -24.998 1.00 0.00 H new ATOM 0 HB3 GLN A 39 42.431 16.206 -26.290 1.00 0.00 H new ATOM 0 HG2 GLN A 39 40.608 15.692 -27.538 1.00 0.00 H new ATOM 0 HG3 GLN A 39 39.677 15.156 -26.153 1.00 0.00 H new ATOM 0 HE21 GLN A 39 41.204 18.284 -27.108 1.00 0.00 H new ATOM 0 HE22 GLN A 39 39.736 19.249 -26.919 1.00 0.00 H new ATOM 636 N GLN A 45 28.522 21.906 -17.347 1.00 0.00 N ATOM 637 CA GLN A 45 27.556 22.016 -16.261 1.00 0.00 C ATOM 638 C GLN A 45 26.185 21.509 -16.699 1.00 0.00 C ATOM 639 O GLN A 45 26.028 20.989 -17.804 1.00 0.00 O ATOM 640 CB GLN A 45 27.451 23.468 -15.791 1.00 0.00 C ATOM 641 CG GLN A 45 28.798 24.119 -15.526 1.00 0.00 C ATOM 642 CD GLN A 45 29.725 23.235 -14.714 1.00 0.00 C ATOM 643 OE1 GLN A 45 29.281 22.475 -13.854 1.00 0.00 O ATOM 644 NE2 GLN A 45 31.022 23.332 -14.984 1.00 0.00 N ATOM 0 HA GLN A 45 27.904 21.398 -15.433 1.00 0.00 H new ATOM 0 HB2 GLN A 45 26.918 24.048 -16.545 1.00 0.00 H new ATOM 0 HB3 GLN A 45 26.854 23.504 -14.880 1.00 0.00 H new ATOM 0 HG2 GLN A 45 29.273 24.361 -16.477 1.00 0.00 H new ATOM 0 HG3 GLN A 45 28.645 25.060 -14.998 1.00 0.00 H new ATOM 0 HE21 GLN A 45 31.346 23.976 -15.706 1.00 0.00 H new ATOM 0 HE22 GLN A 45 31.694 22.763 -14.470 1.00 0.00 H new ATOM 653 N THR A 46 25.196 21.663 -15.825 1.00 0.00 N ATOM 654 CA THR A 46 23.839 21.220 -16.120 1.00 0.00 C ATOM 655 C THR A 46 22.819 21.969 -15.271 1.00 0.00 C ATOM 656 O THR A 46 23.120 22.403 -14.158 1.00 0.00 O ATOM 657 CB THR A 46 23.674 19.709 -15.876 1.00 0.00 C ATOM 658 OG1 THR A 46 23.884 19.409 -14.491 1.00 0.00 O ATOM 659 CG2 THR A 46 24.651 18.912 -16.726 1.00 0.00 C ATOM 0 H THR A 46 25.309 22.091 -14.906 1.00 0.00 H new ATOM 0 HA THR A 46 23.662 21.434 -17.174 1.00 0.00 H new ATOM 0 HB THR A 46 22.659 19.428 -16.158 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.093 18.457 -14.391 1.00 0.00 H new ATOM 0 HG21 THR A 46 24.515 17.847 -16.536 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.468 19.118 -17.781 1.00 0.00 H new ATOM 0 HG23 THR A 46 25.672 19.198 -16.472 1.00 0.00 H new ATOM 667 N TYR A 47 21.610 22.114 -15.802 1.00 0.00 N ATOM 668 CA TYR A 47 20.543 22.809 -15.093 1.00 0.00 C ATOM 669 C TYR A 47 19.212 22.650 -15.821 1.00 0.00 C ATOM 670 O TYR A 47 19.148 22.727 -17.047 1.00 0.00 O ATOM 671 CB TYR A 47 20.884 24.292 -14.941 1.00 0.00 C ATOM 672 CG TYR A 47 20.718 25.091 -16.215 1.00 0.00 C ATOM 673 CD1 TYR A 47 20.948 24.513 -17.458 1.00 0.00 C ATOM 674 CD2 TYR A 47 20.332 26.425 -16.175 1.00 0.00 C ATOM 675 CE1 TYR A 47 20.799 25.241 -18.622 1.00 0.00 C ATOM 676 CE2 TYR A 47 20.180 27.159 -17.336 1.00 0.00 C ATOM 677 CZ TYR A 47 20.414 26.563 -18.556 1.00 0.00 C ATOM 678 OH TYR A 47 20.263 27.292 -19.714 1.00 0.00 O ATOM 0 H TYR A 47 21.345 21.759 -16.721 1.00 0.00 H new ATOM 0 HA TYR A 47 20.448 22.364 -14.103 1.00 0.00 H new ATOM 0 HB2 TYR A 47 20.249 24.724 -14.167 1.00 0.00 H new ATOM 0 HB3 TYR A 47 21.914 24.385 -14.597 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.248 23.477 -17.514 1.00 0.00 H new ATOM 0 HD2 TYR A 47 20.148 26.896 -15.221 1.00 0.00 H new ATOM 0 HE1 TYR A 47 20.983 24.777 -19.580 1.00 0.00 H new ATOM 0 HE2 TYR A 47 19.879 28.195 -17.287 1.00 0.00 H new ATOM 0 HH TYR A 47 19.987 28.206 -19.492 1.00 0.00 H new ATOM 688 N GLY A 48 18.151 22.420 -15.055 1.00 0.00 N ATOM 689 CA GLY A 48 16.836 22.248 -15.643 1.00 0.00 C ATOM 690 C GLY A 48 16.693 20.924 -16.364 1.00 0.00 C ATOM 691 O GLY A 48 16.663 19.866 -15.733 1.00 0.00 O ATOM 0 H GLY A 48 18.178 22.350 -14.038 1.00 0.00 H new ATOM 0 HA2 GLY A 48 16.080 22.316 -14.861 1.00 0.00 H new ATOM 0 HA3 GLY A 48 16.645 23.062 -16.343 1.00 0.00 H new ATOM 695 N GLY A 49 16.606 20.979 -17.688 1.00 0.00 N ATOM 696 CA GLY A 49 16.467 19.768 -18.473 1.00 0.00 C ATOM 697 C GLY A 49 15.428 18.824 -17.902 1.00 0.00 C ATOM 698 O GLY A 49 14.391 19.263 -17.403 1.00 0.00 O ATOM 0 H GLY A 49 16.629 21.842 -18.232 1.00 0.00 H new ATOM 0 HA2 GLY A 49 16.193 20.030 -19.495 1.00 0.00 H new ATOM 0 HA3 GLY A 49 17.429 19.258 -18.522 1.00 0.00 H new ATOM 702 N ASN A 50 15.704 17.526 -17.973 1.00 0.00 N ATOM 703 CA ASN A 50 14.783 16.521 -17.457 1.00 0.00 C ATOM 704 C ASN A 50 15.409 15.754 -16.297 1.00 0.00 C ATOM 705 O ASN A 50 14.717 15.058 -15.554 1.00 0.00 O ATOM 706 CB ASN A 50 14.377 15.551 -18.568 1.00 0.00 C ATOM 707 CG ASN A 50 12.887 15.266 -18.568 1.00 0.00 C ATOM 708 OD1 ASN A 50 12.251 15.224 -17.516 1.00 0.00 O ATOM 709 ND2 ASN A 50 12.323 15.065 -19.754 1.00 0.00 N ATOM 0 H ASN A 50 16.557 17.146 -18.383 1.00 0.00 H new ATOM 0 HA ASN A 50 13.893 17.033 -17.091 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.665 15.967 -19.533 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.924 14.616 -18.448 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.324 14.867 -19.817 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.889 15.109 -20.602 1.00 0.00 H new ATOM 716 N SER A 51 16.723 15.885 -16.148 1.00 0.00 N ATOM 717 CA SER A 51 17.441 15.203 -15.077 1.00 0.00 C ATOM 718 C SER A 51 17.878 16.188 -13.996 1.00 0.00 C ATOM 719 O SER A 51 18.644 15.840 -13.098 1.00 0.00 O ATOM 720 CB SER A 51 18.660 14.469 -15.638 1.00 0.00 C ATOM 721 OG SER A 51 18.349 13.119 -15.938 1.00 0.00 O ATOM 0 H SER A 51 17.312 16.456 -16.754 1.00 0.00 H new ATOM 0 HA SER A 51 16.764 14.477 -14.627 1.00 0.00 H new ATOM 0 HB2 SER A 51 19.010 14.974 -16.539 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.475 14.506 -14.915 1.00 0.00 H new ATOM 0 HG SER A 51 18.924 12.526 -15.411 1.00 0.00 H new ATOM 727 N ASN A 52 17.385 17.420 -14.089 1.00 0.00 N ATOM 728 CA ASN A 52 17.722 18.455 -13.118 1.00 0.00 C ATOM 729 C ASN A 52 19.235 18.595 -12.969 1.00 0.00 C ATOM 730 O ASN A 52 19.723 19.141 -11.979 1.00 0.00 O ATOM 731 CB ASN A 52 17.093 18.132 -11.762 1.00 0.00 C ATOM 732 CG ASN A 52 17.396 19.187 -10.716 1.00 0.00 C ATOM 733 OD1 ASN A 52 17.502 20.373 -11.027 1.00 0.00 O ATOM 734 ND2 ASN A 52 17.538 18.759 -9.468 1.00 0.00 N ATOM 0 H ASN A 52 16.751 17.725 -14.827 1.00 0.00 H new ATOM 0 HA ASN A 52 17.324 19.402 -13.482 1.00 0.00 H new ATOM 0 HB2 ASN A 52 16.013 18.040 -11.879 1.00 0.00 H new ATOM 0 HB3 ASN A 52 17.460 17.166 -11.416 1.00 0.00 H new ATOM 0 HD21 ASN A 52 17.743 19.423 -8.721 1.00 0.00 H new ATOM 0 HD22 ASN A 52 17.442 17.766 -9.255 1.00 0.00 H new ATOM 741 N GLY A 53 19.972 18.103 -13.959 1.00 0.00 N ATOM 742 CA GLY A 53 21.420 18.187 -13.919 1.00 0.00 C ATOM 743 C GLY A 53 22.060 16.944 -13.329 1.00 0.00 C ATOM 744 O GLY A 53 22.342 16.892 -12.132 1.00 0.00 O ATOM 0 H GLY A 53 19.592 17.647 -14.789 1.00 0.00 H new ATOM 0 HA2 GLY A 53 21.799 18.342 -14.929 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.714 19.057 -13.331 1.00 0.00 H new ATOM 748 N GLU A 54 22.289 15.941 -14.172 1.00 0.00 N ATOM 749 CA GLU A 54 22.899 14.695 -13.727 1.00 0.00 C ATOM 750 C GLU A 54 23.844 14.136 -14.787 1.00 0.00 C ATOM 751 O GLU A 54 23.812 14.554 -15.944 1.00 0.00 O ATOM 752 CB GLU A 54 21.818 13.675 -13.395 1.00 0.00 C ATOM 753 CG GLU A 54 21.115 13.970 -12.086 1.00 0.00 C ATOM 754 CD GLU A 54 21.585 13.077 -10.954 1.00 0.00 C ATOM 755 OE1 GLU A 54 22.720 12.560 -11.038 1.00 0.00 O ATOM 756 OE2 GLU A 54 20.820 12.895 -9.984 1.00 0.00 O ATOM 0 H GLU A 54 22.061 15.968 -15.166 1.00 0.00 H new ATOM 0 HA GLU A 54 23.483 14.902 -12.830 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.084 13.655 -14.200 1.00 0.00 H new ATOM 0 HB3 GLU A 54 22.264 12.682 -13.347 1.00 0.00 H new ATOM 0 HG2 GLU A 54 21.284 15.012 -11.815 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.040 13.845 -12.219 1.00 0.00 H new ATOM 763 N PRO A 55 24.701 13.179 -14.398 1.00 0.00 N ATOM 764 CA PRO A 55 25.663 12.558 -15.312 1.00 0.00 C ATOM 765 C PRO A 55 25.029 12.159 -16.641 1.00 0.00 C ATOM 766 O PRO A 55 23.951 11.566 -16.674 1.00 0.00 O ATOM 767 CB PRO A 55 26.119 11.319 -14.544 1.00 0.00 C ATOM 768 CG PRO A 55 25.979 11.695 -13.109 1.00 0.00 C ATOM 769 CD PRO A 55 24.799 12.629 -13.033 1.00 0.00 C ATOM 0 HA PRO A 55 26.473 13.237 -15.579 1.00 0.00 H new ATOM 0 HB2 PRO A 55 25.505 10.452 -14.789 1.00 0.00 H new ATOM 0 HB3 PRO A 55 27.149 11.058 -14.787 1.00 0.00 H new ATOM 0 HG2 PRO A 55 25.818 10.813 -12.489 1.00 0.00 H new ATOM 0 HG3 PRO A 55 26.884 12.180 -12.744 1.00 0.00 H new ATOM 0 HD2 PRO A 55 23.889 12.102 -12.747 1.00 0.00 H new ATOM 0 HD3 PRO A 55 24.957 13.415 -12.295 1.00 0.00 H new ATOM 777 N CYS A 56 25.708 12.488 -17.736 1.00 0.00 N ATOM 778 CA CYS A 56 25.215 12.164 -19.069 1.00 0.00 C ATOM 779 C CYS A 56 25.623 10.751 -19.472 1.00 0.00 C ATOM 780 O CYS A 56 26.296 10.049 -18.717 1.00 0.00 O ATOM 781 CB CYS A 56 25.739 13.176 -20.090 1.00 0.00 C ATOM 782 SG CYS A 56 25.775 14.893 -19.481 1.00 0.00 S ATOM 0 H CYS A 56 26.602 12.979 -17.725 1.00 0.00 H new ATOM 0 HA CYS A 56 24.126 12.213 -19.049 1.00 0.00 H new ATOM 0 HB2 CYS A 56 26.746 12.886 -20.389 1.00 0.00 H new ATOM 0 HB3 CYS A 56 25.116 13.131 -20.983 1.00 0.00 H new ATOM 787 N VAL A 57 25.207 10.339 -20.664 1.00 0.00 N ATOM 788 CA VAL A 57 25.522 9.010 -21.169 1.00 0.00 C ATOM 789 C VAL A 57 25.954 9.067 -22.631 1.00 0.00 C ATOM 790 O VAL A 57 25.306 8.487 -23.503 1.00 0.00 O ATOM 791 CB VAL A 57 24.314 8.063 -21.039 1.00 0.00 C ATOM 792 CG1 VAL A 57 23.217 8.456 -22.015 1.00 0.00 C ATOM 793 CG2 VAL A 57 24.739 6.619 -21.258 1.00 0.00 C ATOM 0 H VAL A 57 24.649 10.909 -21.300 1.00 0.00 H new ATOM 0 HA VAL A 57 26.344 8.626 -20.565 1.00 0.00 H new ATOM 0 HB VAL A 57 23.917 8.151 -20.028 1.00 0.00 H new ATOM 0 HG11 VAL A 57 22.373 7.775 -21.907 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.891 9.474 -21.805 1.00 0.00 H new ATOM 0 HG13 VAL A 57 23.600 8.401 -23.034 1.00 0.00 H new ATOM 0 HG21 VAL A 57 23.872 5.966 -21.162 1.00 0.00 H new ATOM 0 HG22 VAL A 57 25.165 6.512 -22.256 1.00 0.00 H new ATOM 0 HG23 VAL A 57 25.485 6.343 -20.513 1.00 0.00 H new ATOM 803 N LEU A 58 27.052 9.768 -22.893 1.00 0.00 N ATOM 804 CA LEU A 58 27.565 9.895 -24.253 1.00 0.00 C ATOM 805 C LEU A 58 28.869 9.127 -24.427 1.00 0.00 C ATOM 806 O LEU A 58 29.489 8.697 -23.454 1.00 0.00 O ATOM 807 CB LEU A 58 27.781 11.368 -24.623 1.00 0.00 C ATOM 808 CG LEU A 58 27.852 12.344 -23.448 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.526 12.382 -22.709 1.00 0.00 C ATOM 810 CD2 LEU A 58 28.987 11.971 -22.506 1.00 0.00 C ATOM 0 H LEU A 58 27.602 10.255 -22.185 1.00 0.00 H new ATOM 0 HA LEU A 58 26.817 9.467 -24.921 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.706 11.448 -25.194 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.971 11.680 -25.282 1.00 0.00 H new ATOM 0 HG LEU A 58 28.054 13.341 -23.840 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.594 13.081 -21.876 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.739 12.705 -23.390 1.00 0.00 H new ATOM 0 HD13 LEU A 58 26.292 11.387 -22.330 1.00 0.00 H new ATOM 0 HD21 LEU A 58 29.019 12.678 -21.677 1.00 0.00 H new ATOM 0 HD22 LEU A 58 28.823 10.965 -22.119 1.00 0.00 H new ATOM 0 HD23 LEU A 58 29.933 12.002 -23.046 1.00 0.00 H new ATOM 822 N PRO A 59 29.294 8.946 -25.684 1.00 0.00 N ATOM 823 CA PRO A 59 28.562 9.453 -26.846 1.00 0.00 C ATOM 824 C PRO A 59 27.267 8.684 -27.083 1.00 0.00 C ATOM 825 O PRO A 59 27.229 7.459 -26.962 1.00 0.00 O ATOM 826 CB PRO A 59 29.530 9.242 -28.018 1.00 0.00 C ATOM 827 CG PRO A 59 30.841 8.885 -27.396 1.00 0.00 C ATOM 828 CD PRO A 59 30.515 8.240 -26.081 1.00 0.00 C ATOM 0 HA PRO A 59 28.266 10.494 -26.714 1.00 0.00 H new ATOM 0 HB2 PRO A 59 29.180 8.448 -28.678 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.616 10.145 -28.623 1.00 0.00 H new ATOM 0 HG2 PRO A 59 31.403 8.204 -28.035 1.00 0.00 H new ATOM 0 HG3 PRO A 59 31.459 9.771 -27.253 1.00 0.00 H new ATOM 0 HD2 PRO A 59 30.350 7.167 -26.183 1.00 0.00 H new ATOM 0 HD3 PRO A 59 31.316 8.371 -25.353 1.00 0.00 H new ATOM 836 N PHE A 60 26.207 9.409 -27.417 1.00 0.00 N ATOM 837 CA PHE A 60 24.909 8.795 -27.668 1.00 0.00 C ATOM 838 C PHE A 60 24.482 9.005 -29.117 1.00 0.00 C ATOM 839 O PHE A 60 25.254 9.503 -29.936 1.00 0.00 O ATOM 840 CB PHE A 60 23.857 9.381 -26.728 1.00 0.00 C ATOM 841 CG PHE A 60 23.877 10.881 -26.679 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.321 11.627 -27.706 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.456 11.545 -25.610 1.00 0.00 C ATOM 844 CE1 PHE A 60 23.344 13.007 -27.668 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.480 12.926 -25.566 1.00 0.00 C ATOM 846 CZ PHE A 60 23.924 13.657 -26.597 1.00 0.00 C ATOM 0 H PHE A 60 26.220 10.424 -27.520 1.00 0.00 H new ATOM 0 HA PHE A 60 24.998 7.724 -27.483 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.869 9.048 -27.046 1.00 0.00 H new ATOM 0 HB3 PHE A 60 24.018 8.989 -25.724 1.00 0.00 H new ATOM 0 HD1 PHE A 60 22.865 11.123 -28.545 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.893 10.977 -24.802 1.00 0.00 H new ATOM 0 HE1 PHE A 60 22.909 13.577 -28.475 1.00 0.00 H new ATOM 0 HE2 PHE A 60 24.933 13.433 -24.727 1.00 0.00 H new ATOM 0 HZ PHE A 60 23.943 14.736 -26.566 1.00 0.00 H new ATOM 856 N THR A 61 23.247 8.627 -29.425 1.00 0.00 N ATOM 857 CA THR A 61 22.716 8.775 -30.774 1.00 0.00 C ATOM 858 C THR A 61 21.370 9.488 -30.757 1.00 0.00 C ATOM 859 O THR A 61 20.424 9.036 -30.112 1.00 0.00 O ATOM 860 CB THR A 61 22.553 7.410 -31.467 1.00 0.00 C ATOM 861 OG1 THR A 61 23.433 6.449 -30.871 1.00 0.00 O ATOM 862 CG2 THR A 61 22.849 7.521 -32.955 1.00 0.00 C ATOM 0 H THR A 61 22.594 8.215 -28.758 1.00 0.00 H new ATOM 0 HA THR A 61 23.435 9.373 -31.334 1.00 0.00 H new ATOM 0 HB THR A 61 21.521 7.084 -31.340 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.322 5.583 -31.316 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.728 6.545 -33.424 1.00 0.00 H new ATOM 0 HG22 THR A 61 22.159 8.231 -33.411 1.00 0.00 H new ATOM 0 HG23 THR A 61 23.873 7.867 -33.098 1.00 0.00 H new ATOM 870 N TYR A 62 21.289 10.605 -31.473 1.00 0.00 N ATOM 871 CA TYR A 62 20.056 11.379 -31.543 1.00 0.00 C ATOM 872 C TYR A 62 19.834 11.916 -32.952 1.00 0.00 C ATOM 873 O TYR A 62 20.746 12.467 -33.568 1.00 0.00 O ATOM 874 CB TYR A 62 20.095 12.537 -30.546 1.00 0.00 C ATOM 875 CG TYR A 62 18.884 13.440 -30.624 1.00 0.00 C ATOM 876 CD1 TYR A 62 17.650 13.021 -30.144 1.00 0.00 C ATOM 877 CD2 TYR A 62 18.975 14.711 -31.180 1.00 0.00 C ATOM 878 CE1 TYR A 62 16.540 13.842 -30.216 1.00 0.00 C ATOM 879 CE2 TYR A 62 17.870 15.538 -31.256 1.00 0.00 C ATOM 880 CZ TYR A 62 16.655 15.098 -30.772 1.00 0.00 C ATOM 881 OH TYR A 62 15.553 15.918 -30.846 1.00 0.00 O ATOM 0 H TYR A 62 22.062 10.994 -32.012 1.00 0.00 H new ATOM 0 HA TYR A 62 19.228 10.718 -31.287 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.174 12.134 -29.536 1.00 0.00 H new ATOM 0 HB3 TYR A 62 20.992 13.129 -30.724 1.00 0.00 H new ATOM 0 HD1 TYR A 62 17.556 12.038 -29.707 1.00 0.00 H new ATOM 0 HD2 TYR A 62 19.925 15.058 -31.559 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.587 13.501 -29.838 1.00 0.00 H new ATOM 0 HE2 TYR A 62 17.957 16.522 -31.692 1.00 0.00 H new ATOM 0 HH TYR A 62 14.947 15.720 -30.101 1.00 0.00 H new ATOM 891 N ASN A 63 18.617 11.753 -33.457 1.00 0.00 N ATOM 892 CA ASN A 63 18.278 12.221 -34.794 1.00 0.00 C ATOM 893 C ASN A 63 18.992 11.392 -35.858 1.00 0.00 C ATOM 894 O ASN A 63 18.924 11.702 -37.048 1.00 0.00 O ATOM 895 CB ASN A 63 18.650 13.697 -34.946 1.00 0.00 C ATOM 896 CG ASN A 63 17.477 14.545 -35.394 1.00 0.00 C ATOM 897 OD1 ASN A 63 16.549 14.054 -36.036 1.00 0.00 O ATOM 898 ND2 ASN A 63 17.514 15.829 -35.056 1.00 0.00 N ATOM 0 H ASN A 63 17.849 11.300 -32.961 1.00 0.00 H new ATOM 0 HA ASN A 63 17.203 12.107 -34.932 1.00 0.00 H new ATOM 0 HB2 ASN A 63 19.025 14.074 -33.995 1.00 0.00 H new ATOM 0 HB3 ASN A 63 19.461 13.792 -35.669 1.00 0.00 H new ATOM 0 HD21 ASN A 63 16.753 16.450 -35.329 1.00 0.00 H new ATOM 0 HD22 ASN A 63 18.304 16.193 -34.523 1.00 0.00 H new ATOM 905 N GLY A 64 19.674 10.338 -35.424 1.00 0.00 N ATOM 906 CA GLY A 64 20.387 9.482 -36.354 1.00 0.00 C ATOM 907 C GLY A 64 21.889 9.681 -36.293 1.00 0.00 C ATOM 908 O GLY A 64 22.650 8.855 -36.795 1.00 0.00 O ATOM 0 H GLY A 64 19.746 10.061 -34.445 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.153 8.440 -36.136 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.038 9.682 -37.367 1.00 0.00 H new ATOM 912 N ARG A 65 22.316 10.779 -35.679 1.00 0.00 N ATOM 913 CA ARG A 65 23.738 11.080 -35.556 1.00 0.00 C ATOM 914 C ARG A 65 24.260 10.685 -34.178 1.00 0.00 C ATOM 915 O ARG A 65 23.578 9.992 -33.423 1.00 0.00 O ATOM 916 CB ARG A 65 23.988 12.568 -35.810 1.00 0.00 C ATOM 917 CG ARG A 65 23.191 13.485 -34.897 1.00 0.00 C ATOM 918 CD ARG A 65 21.920 13.971 -35.574 1.00 0.00 C ATOM 919 NE ARG A 65 22.120 15.239 -36.267 1.00 0.00 N ATOM 920 CZ ARG A 65 21.396 15.630 -37.310 1.00 0.00 C ATOM 921 NH1 ARG A 65 20.432 14.850 -37.780 1.00 0.00 N ATOM 922 NH2 ARG A 65 21.637 16.800 -37.886 1.00 0.00 N ATOM 0 H ARG A 65 21.699 11.474 -35.259 1.00 0.00 H new ATOM 0 HA ARG A 65 24.276 10.498 -36.305 1.00 0.00 H new ATOM 0 HB2 ARG A 65 25.050 12.776 -35.682 1.00 0.00 H new ATOM 0 HB3 ARG A 65 23.741 12.797 -36.847 1.00 0.00 H new ATOM 0 HG2 ARG A 65 22.937 12.956 -33.979 1.00 0.00 H new ATOM 0 HG3 ARG A 65 23.804 14.340 -34.613 1.00 0.00 H new ATOM 0 HD2 ARG A 65 21.578 13.219 -36.285 1.00 0.00 H new ATOM 0 HD3 ARG A 65 21.133 14.086 -34.828 1.00 0.00 H new ATOM 0 HE ARG A 65 22.857 15.860 -35.932 1.00 0.00 H new ATOM 0 HH11 ARG A 65 20.246 13.949 -37.341 1.00 0.00 H new ATOM 0 HH12 ARG A 65 19.877 15.152 -38.581 1.00 0.00 H new ATOM 0 HH21 ARG A 65 22.379 17.401 -37.528 1.00 0.00 H new ATOM 0 HH22 ARG A 65 21.080 17.099 -38.687 1.00 0.00 H new ATOM 936 N THR A 66 25.473 11.125 -33.857 1.00 0.00 N ATOM 937 CA THR A 66 26.083 10.807 -32.571 1.00 0.00 C ATOM 938 C THR A 66 26.783 12.024 -31.972 1.00 0.00 C ATOM 939 O THR A 66 27.335 12.854 -32.694 1.00 0.00 O ATOM 940 CB THR A 66 27.098 9.658 -32.706 1.00 0.00 C ATOM 941 OG1 THR A 66 26.488 8.539 -33.361 1.00 0.00 O ATOM 942 CG2 THR A 66 27.617 9.232 -31.342 1.00 0.00 C ATOM 0 H THR A 66 26.051 11.701 -34.468 1.00 0.00 H new ATOM 0 HA THR A 66 25.277 10.497 -31.906 1.00 0.00 H new ATOM 0 HB THR A 66 27.938 10.013 -33.302 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.141 7.813 -33.444 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.333 8.419 -31.463 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.106 10.077 -30.859 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.784 8.894 -30.725 1.00 0.00 H new ATOM 950 N PHE A 67 26.757 12.123 -30.645 1.00 0.00 N ATOM 951 CA PHE A 67 27.391 13.236 -29.947 1.00 0.00 C ATOM 952 C PHE A 67 28.143 12.749 -28.712 1.00 0.00 C ATOM 953 O PHE A 67 27.561 12.120 -27.829 1.00 0.00 O ATOM 954 CB PHE A 67 26.344 14.275 -29.540 1.00 0.00 C ATOM 955 CG PHE A 67 25.250 14.461 -30.552 1.00 0.00 C ATOM 956 CD1 PHE A 67 24.324 13.456 -30.784 1.00 0.00 C ATOM 957 CD2 PHE A 67 25.146 15.642 -31.268 1.00 0.00 C ATOM 958 CE1 PHE A 67 23.315 13.626 -31.712 1.00 0.00 C ATOM 959 CE2 PHE A 67 24.139 15.818 -32.198 1.00 0.00 C ATOM 960 CZ PHE A 67 23.222 14.808 -32.420 1.00 0.00 C ATOM 0 H PHE A 67 26.303 11.445 -30.032 1.00 0.00 H new ATOM 0 HA PHE A 67 28.106 13.696 -30.629 1.00 0.00 H new ATOM 0 HB2 PHE A 67 25.901 13.977 -28.590 1.00 0.00 H new ATOM 0 HB3 PHE A 67 26.840 15.231 -29.375 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.392 12.530 -30.233 1.00 0.00 H new ATOM 0 HD2 PHE A 67 25.860 16.434 -31.098 1.00 0.00 H new ATOM 0 HE1 PHE A 67 22.600 12.835 -31.884 1.00 0.00 H new ATOM 0 HE2 PHE A 67 24.069 16.743 -32.750 1.00 0.00 H new ATOM 0 HZ PHE A 67 22.434 14.943 -33.146 1.00 0.00 H new ATOM 970 N TYR A 68 29.438 13.043 -28.658 1.00 0.00 N ATOM 971 CA TYR A 68 30.271 12.633 -27.534 1.00 0.00 C ATOM 972 C TYR A 68 30.135 13.607 -26.365 1.00 0.00 C ATOM 973 O TYR A 68 30.855 13.504 -25.372 1.00 0.00 O ATOM 974 CB TYR A 68 31.737 12.539 -27.970 1.00 0.00 C ATOM 975 CG TYR A 68 32.003 11.436 -28.973 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.236 11.313 -30.126 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.021 10.515 -28.763 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.478 10.303 -31.039 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.269 9.503 -29.670 1.00 0.00 C ATOM 980 CZ TYR A 68 32.495 9.401 -30.806 1.00 0.00 C ATOM 981 OH TYR A 68 32.737 8.394 -31.711 1.00 0.00 O ATOM 0 H TYR A 68 29.934 13.565 -29.381 1.00 0.00 H new ATOM 0 HA TYR A 68 29.932 11.652 -27.202 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.040 13.492 -28.402 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.359 12.376 -27.090 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.439 12.017 -30.312 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.630 10.591 -27.874 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.874 10.221 -31.930 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.065 8.796 -29.490 1.00 0.00 H new ATOM 0 HH TYR A 68 32.489 8.696 -32.610 1.00 0.00 H new ATOM 991 N SER A 69 29.206 14.550 -26.490 1.00 0.00 N ATOM 992 CA SER A 69 28.976 15.538 -25.443 1.00 0.00 C ATOM 993 C SER A 69 27.639 16.243 -25.645 1.00 0.00 C ATOM 994 O SER A 69 26.785 15.774 -26.397 1.00 0.00 O ATOM 995 CB SER A 69 30.108 16.567 -25.423 1.00 0.00 C ATOM 996 OG SER A 69 30.153 17.252 -24.184 1.00 0.00 O ATOM 0 H SER A 69 28.601 14.650 -27.305 1.00 0.00 H new ATOM 0 HA SER A 69 28.952 15.016 -24.486 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.061 16.068 -25.601 1.00 0.00 H new ATOM 0 HB3 SER A 69 29.967 17.283 -26.233 1.00 0.00 H new ATOM 0 HG SER A 69 30.075 18.216 -24.340 1.00 0.00 H new ATOM 1002 N CYS A 70 27.465 17.372 -24.968 1.00 0.00 N ATOM 1003 CA CYS A 70 26.236 18.145 -25.069 1.00 0.00 C ATOM 1004 C CYS A 70 26.045 18.672 -26.489 1.00 0.00 C ATOM 1005 O CYS A 70 26.974 18.648 -27.298 1.00 0.00 O ATOM 1006 CB CYS A 70 26.267 19.301 -24.072 1.00 0.00 C ATOM 1007 SG CYS A 70 26.518 18.776 -22.343 1.00 0.00 S ATOM 0 H CYS A 70 28.163 17.772 -24.341 1.00 0.00 H new ATOM 0 HA CYS A 70 25.394 17.495 -24.832 1.00 0.00 H new ATOM 0 HB2 CYS A 70 27.065 19.989 -24.352 1.00 0.00 H new ATOM 0 HB3 CYS A 70 25.330 19.854 -24.142 1.00 0.00 H new ATOM 1012 N THR A 71 24.839 19.142 -26.789 1.00 0.00 N ATOM 1013 CA THR A 71 24.538 19.667 -28.118 1.00 0.00 C ATOM 1014 C THR A 71 23.233 20.453 -28.129 1.00 0.00 C ATOM 1015 O THR A 71 22.574 20.602 -27.099 1.00 0.00 O ATOM 1016 CB THR A 71 24.440 18.536 -29.158 1.00 0.00 C ATOM 1017 OG1 THR A 71 24.424 19.088 -30.481 1.00 0.00 O ATOM 1018 CG2 THR A 71 23.186 17.705 -28.934 1.00 0.00 C ATOM 0 H THR A 71 24.057 19.171 -26.135 1.00 0.00 H new ATOM 0 HA THR A 71 25.360 20.333 -28.380 1.00 0.00 H new ATOM 0 HB THR A 71 25.310 17.890 -29.045 1.00 0.00 H new ATOM 0 HG1 THR A 71 24.608 18.380 -31.133 1.00 0.00 H new ATOM 0 HG21 THR A 71 23.137 16.912 -29.680 1.00 0.00 H new ATOM 0 HG22 THR A 71 23.215 17.265 -27.937 1.00 0.00 H new ATOM 0 HG23 THR A 71 22.306 18.342 -29.024 1.00 0.00 H new ATOM 1026 N THR A 72 22.866 20.955 -29.304 1.00 0.00 N ATOM 1027 CA THR A 72 21.641 21.728 -29.460 1.00 0.00 C ATOM 1028 C THR A 72 20.941 21.389 -30.772 1.00 0.00 C ATOM 1029 O THR A 72 20.706 22.263 -31.605 1.00 0.00 O ATOM 1030 CB THR A 72 21.924 23.241 -29.419 1.00 0.00 C ATOM 1031 OG1 THR A 72 23.180 23.523 -30.051 1.00 0.00 O ATOM 1032 CG2 THR A 72 21.950 23.743 -27.984 1.00 0.00 C ATOM 0 H THR A 72 23.402 20.839 -30.164 1.00 0.00 H new ATOM 0 HA THR A 72 20.991 21.464 -28.626 1.00 0.00 H new ATOM 0 HB THR A 72 21.126 23.754 -29.955 1.00 0.00 H new ATOM 0 HG1 THR A 72 23.351 24.487 -30.022 1.00 0.00 H new ATOM 0 HG21 THR A 72 22.151 24.814 -27.977 1.00 0.00 H new ATOM 0 HG22 THR A 72 20.985 23.552 -27.514 1.00 0.00 H new ATOM 0 HG23 THR A 72 22.732 23.223 -27.431 1.00 0.00 H new ATOM 1040 N GLU A 73 20.612 20.112 -30.950 1.00 0.00 N ATOM 1041 CA GLU A 73 19.940 19.657 -32.163 1.00 0.00 C ATOM 1042 C GLU A 73 18.510 19.212 -31.869 1.00 0.00 C ATOM 1043 O GLU A 73 17.742 18.915 -32.784 1.00 0.00 O ATOM 1044 CB GLU A 73 20.722 18.508 -32.801 1.00 0.00 C ATOM 1045 CG GLU A 73 21.594 18.943 -33.968 1.00 0.00 C ATOM 1046 CD GLU A 73 20.856 18.903 -35.292 1.00 0.00 C ATOM 1047 OE1 GLU A 73 20.614 17.789 -35.803 1.00 0.00 O ATOM 1048 OE2 GLU A 73 20.518 19.984 -35.817 1.00 0.00 O ATOM 0 H GLU A 73 20.800 19.375 -30.270 1.00 0.00 H new ATOM 0 HA GLU A 73 19.900 20.495 -32.859 1.00 0.00 H new ATOM 0 HB2 GLU A 73 21.350 18.041 -32.042 1.00 0.00 H new ATOM 0 HB3 GLU A 73 20.020 17.748 -33.145 1.00 0.00 H new ATOM 0 HG2 GLU A 73 21.957 19.955 -33.789 1.00 0.00 H new ATOM 0 HG3 GLU A 73 22.469 18.296 -34.024 1.00 0.00 H new ATOM 1055 N GLY A 74 18.159 19.165 -30.589 1.00 0.00 N ATOM 1056 CA GLY A 74 16.823 18.754 -30.199 1.00 0.00 C ATOM 1057 C GLY A 74 15.930 19.929 -29.854 1.00 0.00 C ATOM 1058 O GLY A 74 14.730 19.763 -29.637 1.00 0.00 O ATOM 0 H GLY A 74 18.777 19.404 -29.813 1.00 0.00 H new ATOM 0 HA2 GLY A 74 16.371 18.184 -31.011 1.00 0.00 H new ATOM 0 HA3 GLY A 74 16.888 18.087 -29.339 1.00 0.00 H new ATOM 1122 N HIS A 79 19.994 25.816 -26.336 1.00 0.00 N ATOM 1123 CA HIS A 79 20.448 25.359 -25.029 1.00 0.00 C ATOM 1124 C HIS A 79 21.073 23.973 -25.127 1.00 0.00 C ATOM 1125 O HIS A 79 20.407 23.005 -25.491 1.00 0.00 O ATOM 1126 CB HIS A 79 19.284 25.336 -24.037 1.00 0.00 C ATOM 1127 CG HIS A 79 18.420 26.556 -24.099 1.00 0.00 C ATOM 1128 ND1 HIS A 79 17.116 26.534 -24.547 1.00 0.00 N ATOM 1129 CD2 HIS A 79 18.679 27.843 -23.767 1.00 0.00 C ATOM 1130 CE1 HIS A 79 16.611 27.754 -24.489 1.00 0.00 C ATOM 1131 NE2 HIS A 79 17.539 28.565 -24.019 1.00 0.00 N ATOM 0 HA HIS A 79 21.205 26.057 -24.672 1.00 0.00 H new ATOM 0 HB2 HIS A 79 18.670 24.456 -24.230 1.00 0.00 H new ATOM 0 HB3 HIS A 79 19.680 25.233 -23.027 1.00 0.00 H new ATOM 0 HD2 HIS A 79 19.609 28.229 -23.377 1.00 0.00 H new ATOM 0 HE1 HIS A 79 15.610 28.038 -24.777 1.00 0.00 H new ATOM 0 HE2 HIS A 79 17.427 29.567 -23.867 1.00 0.00 H new ATOM 1140 N LEU A 80 22.357 23.886 -24.798 1.00 0.00 N ATOM 1141 CA LEU A 80 23.074 22.620 -24.849 1.00 0.00 C ATOM 1142 C LEU A 80 22.439 21.602 -23.909 1.00 0.00 C ATOM 1143 O LEU A 80 21.942 21.955 -22.840 1.00 0.00 O ATOM 1144 CB LEU A 80 24.542 22.827 -24.475 1.00 0.00 C ATOM 1145 CG LEU A 80 25.432 23.368 -25.598 1.00 0.00 C ATOM 1146 CD1 LEU A 80 24.998 24.769 -25.999 1.00 0.00 C ATOM 1147 CD2 LEU A 80 26.891 23.365 -25.166 1.00 0.00 C ATOM 0 H LEU A 80 22.922 24.679 -24.493 1.00 0.00 H new ATOM 0 HA LEU A 80 23.016 22.237 -25.868 1.00 0.00 H new ATOM 0 HB2 LEU A 80 24.592 23.515 -23.631 1.00 0.00 H new ATOM 0 HB3 LEU A 80 24.951 21.876 -24.135 1.00 0.00 H new ATOM 0 HG LEU A 80 25.326 22.716 -26.465 1.00 0.00 H new ATOM 0 HD11 LEU A 80 25.643 25.135 -26.798 1.00 0.00 H new ATOM 0 HD12 LEU A 80 23.966 24.744 -26.349 1.00 0.00 H new ATOM 0 HD13 LEU A 80 25.074 25.434 -25.138 1.00 0.00 H new ATOM 0 HD21 LEU A 80 27.511 23.752 -25.975 1.00 0.00 H new ATOM 0 HD22 LEU A 80 27.011 23.994 -24.284 1.00 0.00 H new ATOM 0 HD23 LEU A 80 27.198 22.346 -24.929 1.00 0.00 H new ATOM 1159 N TRP A 81 22.455 20.338 -24.317 1.00 0.00 N ATOM 1160 CA TRP A 81 21.880 19.270 -23.510 1.00 0.00 C ATOM 1161 C TRP A 81 22.621 17.956 -23.728 1.00 0.00 C ATOM 1162 O TRP A 81 23.335 17.787 -24.715 1.00 0.00 O ATOM 1163 CB TRP A 81 20.401 19.089 -23.851 1.00 0.00 C ATOM 1164 CG TRP A 81 20.157 18.848 -25.309 1.00 0.00 C ATOM 1165 CD1 TRP A 81 20.135 19.786 -26.300 1.00 0.00 C ATOM 1166 CD2 TRP A 81 19.900 17.589 -25.941 1.00 0.00 C ATOM 1167 NE1 TRP A 81 19.879 19.187 -27.510 1.00 0.00 N ATOM 1168 CE2 TRP A 81 19.731 17.839 -27.316 1.00 0.00 C ATOM 1169 CE3 TRP A 81 19.798 16.273 -25.478 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 19.465 16.823 -28.230 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 19.533 15.266 -26.387 1.00 0.00 C ATOM 1172 CH2 TRP A 81 19.370 15.545 -27.750 1.00 0.00 C ATOM 0 H TRP A 81 22.860 20.029 -25.201 1.00 0.00 H new ATOM 0 HA TRP A 81 21.979 19.552 -22.462 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.003 18.251 -23.279 1.00 0.00 H new ATOM 0 HB3 TRP A 81 19.852 19.977 -23.539 1.00 0.00 H new ATOM 0 HD1 TRP A 81 20.295 20.844 -26.155 1.00 0.00 H new ATOM 0 HE1 TRP A 81 19.810 19.668 -28.407 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.924 16.048 -24.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 19.338 17.036 -29.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.450 14.246 -26.040 1.00 0.00 H new ATOM 0 HH2 TRP A 81 19.165 14.736 -28.435 1.00 0.00 H new ATOM 1183 N CYS A 82 22.440 17.029 -22.795 1.00 0.00 N ATOM 1184 CA CYS A 82 23.079 15.722 -22.871 1.00 0.00 C ATOM 1185 C CYS A 82 22.129 14.633 -22.385 1.00 0.00 C ATOM 1186 O CYS A 82 21.297 14.870 -21.509 1.00 0.00 O ATOM 1187 CB CYS A 82 24.362 15.707 -22.038 1.00 0.00 C ATOM 1188 SG CYS A 82 24.078 15.709 -20.239 1.00 0.00 S ATOM 0 H CYS A 82 21.852 17.160 -21.972 1.00 0.00 H new ATOM 0 HA CYS A 82 23.333 15.525 -23.913 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.944 14.824 -22.302 1.00 0.00 H new ATOM 0 HB3 CYS A 82 24.964 16.577 -22.301 1.00 0.00 H new ATOM 1193 N SER A 83 22.258 13.441 -22.954 1.00 0.00 N ATOM 1194 CA SER A 83 21.406 12.319 -22.574 1.00 0.00 C ATOM 1195 C SER A 83 21.944 11.636 -21.322 1.00 0.00 C ATOM 1196 O SER A 83 23.154 11.508 -21.148 1.00 0.00 O ATOM 1197 CB SER A 83 21.311 11.310 -23.720 1.00 0.00 C ATOM 1198 OG SER A 83 21.392 9.980 -23.237 1.00 0.00 O ATOM 0 H SER A 83 22.943 13.226 -23.679 1.00 0.00 H new ATOM 0 HA SER A 83 20.409 12.705 -22.360 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.371 11.449 -24.254 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.114 11.490 -24.435 1.00 0.00 H new ATOM 0 HG SER A 83 20.526 9.536 -23.354 1.00 0.00 H new ATOM 1204 N THR A 84 21.039 11.199 -20.451 1.00 0.00 N ATOM 1205 CA THR A 84 21.436 10.530 -19.218 1.00 0.00 C ATOM 1206 C THR A 84 21.230 9.023 -19.326 1.00 0.00 C ATOM 1207 O THR A 84 21.774 8.252 -18.535 1.00 0.00 O ATOM 1208 CB THR A 84 20.644 11.063 -18.009 1.00 0.00 C ATOM 1209 OG1 THR A 84 19.241 11.001 -18.282 1.00 0.00 O ATOM 1210 CG2 THR A 84 21.039 12.499 -17.693 1.00 0.00 C ATOM 0 H THR A 84 20.031 11.296 -20.576 1.00 0.00 H new ATOM 0 HA THR A 84 22.495 10.741 -19.067 1.00 0.00 H new ATOM 0 HB THR A 84 20.877 10.440 -17.145 1.00 0.00 H new ATOM 0 HG1 THR A 84 19.047 11.490 -19.109 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.467 12.854 -16.836 1.00 0.00 H new ATOM 0 HG22 THR A 84 22.103 12.541 -17.461 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.830 13.132 -18.556 1.00 0.00 H new ATOM 1218 N THR A 85 20.447 8.611 -20.317 1.00 0.00 N ATOM 1219 CA THR A 85 20.170 7.198 -20.542 1.00 0.00 C ATOM 1220 C THR A 85 20.632 6.778 -21.937 1.00 0.00 C ATOM 1221 O THR A 85 20.329 7.444 -22.927 1.00 0.00 O ATOM 1222 CB THR A 85 18.662 6.891 -20.366 1.00 0.00 C ATOM 1223 OG1 THR A 85 18.379 6.625 -18.987 1.00 0.00 O ATOM 1224 CG2 THR A 85 18.221 5.700 -21.211 1.00 0.00 C ATOM 0 H THR A 85 19.992 9.239 -20.979 1.00 0.00 H new ATOM 0 HA THR A 85 20.725 6.626 -19.799 1.00 0.00 H new ATOM 0 HB THR A 85 18.107 7.767 -20.702 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.499 6.201 -18.910 1.00 0.00 H new ATOM 0 HG21 THR A 85 17.157 5.519 -21.058 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.405 5.913 -22.264 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.786 4.816 -20.916 1.00 0.00 H new ATOM 1232 N SER A 86 21.369 5.671 -22.008 1.00 0.00 N ATOM 1233 CA SER A 86 21.869 5.171 -23.283 1.00 0.00 C ATOM 1234 C SER A 86 20.777 5.229 -24.342 1.00 0.00 C ATOM 1235 O SER A 86 21.003 5.691 -25.461 1.00 0.00 O ATOM 1236 CB SER A 86 22.377 3.735 -23.133 1.00 0.00 C ATOM 1237 OG SER A 86 23.206 3.367 -24.222 1.00 0.00 O ATOM 0 H SER A 86 21.631 5.107 -21.200 1.00 0.00 H new ATOM 0 HA SER A 86 22.698 5.805 -23.598 1.00 0.00 H new ATOM 0 HB2 SER A 86 22.933 3.639 -22.201 1.00 0.00 H new ATOM 0 HB3 SER A 86 21.530 3.052 -23.070 1.00 0.00 H new ATOM 0 HG SER A 86 23.518 2.446 -24.099 1.00 0.00 H new ATOM 1243 N ASN A 87 19.589 4.765 -23.975 1.00 0.00 N ATOM 1244 CA ASN A 87 18.451 4.769 -24.882 1.00 0.00 C ATOM 1245 C ASN A 87 17.614 6.027 -24.681 1.00 0.00 C ATOM 1246 O ASN A 87 16.561 5.987 -24.045 1.00 0.00 O ATOM 1247 CB ASN A 87 17.590 3.526 -24.657 1.00 0.00 C ATOM 1248 CG ASN A 87 17.320 2.770 -25.944 1.00 0.00 C ATOM 1249 OD1 ASN A 87 17.908 1.717 -26.196 1.00 0.00 O ATOM 1250 ND2 ASN A 87 16.427 3.305 -26.768 1.00 0.00 N ATOM 0 H ASN A 87 19.389 4.380 -23.052 1.00 0.00 H new ATOM 0 HA ASN A 87 18.826 4.758 -25.906 1.00 0.00 H new ATOM 0 HB2 ASN A 87 18.089 2.865 -23.948 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.642 3.820 -24.206 1.00 0.00 H new ATOM 0 HD21 ASN A 87 16.205 2.842 -27.649 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.963 4.179 -26.520 1.00 0.00 H new ATOM 1257 N TYR A 88 18.090 7.141 -25.226 1.00 0.00 N ATOM 1258 CA TYR A 88 17.387 8.410 -25.105 1.00 0.00 C ATOM 1259 C TYR A 88 16.132 8.401 -25.963 1.00 0.00 C ATOM 1260 O TYR A 88 15.162 9.102 -25.674 1.00 0.00 O ATOM 1261 CB TYR A 88 18.299 9.565 -25.520 1.00 0.00 C ATOM 1262 CG TYR A 88 17.556 10.848 -25.812 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.757 10.967 -26.942 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.652 11.938 -24.958 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.076 12.138 -27.213 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.972 13.114 -25.222 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.187 13.208 -26.351 1.00 0.00 C ATOM 1268 OH TYR A 88 15.510 14.376 -26.617 1.00 0.00 O ATOM 0 H TYR A 88 18.960 7.190 -25.756 1.00 0.00 H new ATOM 0 HA TYR A 88 17.099 8.549 -24.063 1.00 0.00 H new ATOM 0 HB2 TYR A 88 19.024 9.747 -24.727 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.863 9.272 -26.406 1.00 0.00 H new ATOM 0 HD1 TYR A 88 16.667 10.131 -27.619 1.00 0.00 H new ATOM 0 HD2 TYR A 88 18.267 11.867 -24.073 1.00 0.00 H new ATOM 0 HE1 TYR A 88 15.459 12.215 -28.096 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.056 13.953 -24.547 1.00 0.00 H new ATOM 0 HH TYR A 88 15.695 15.030 -25.911 1.00 0.00 H new ATOM 1278 N GLU A 89 16.156 7.594 -27.018 1.00 0.00 N ATOM 1279 CA GLU A 89 15.018 7.485 -27.915 1.00 0.00 C ATOM 1280 C GLU A 89 13.838 6.837 -27.202 1.00 0.00 C ATOM 1281 O GLU A 89 12.698 6.920 -27.659 1.00 0.00 O ATOM 1282 CB GLU A 89 15.391 6.673 -29.156 1.00 0.00 C ATOM 1283 CG GLU A 89 16.745 7.041 -29.743 1.00 0.00 C ATOM 1284 CD GLU A 89 16.671 7.363 -31.223 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.170 8.454 -31.569 1.00 0.00 O ATOM 1286 OE2 GLU A 89 17.114 6.524 -32.036 1.00 0.00 O ATOM 0 H GLU A 89 16.951 7.007 -27.270 1.00 0.00 H new ATOM 0 HA GLU A 89 14.730 8.489 -28.227 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.392 5.614 -28.899 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.624 6.816 -29.917 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.147 7.901 -29.208 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.440 6.216 -29.589 1.00 0.00 H new ATOM 1293 N GLN A 90 14.124 6.193 -26.076 1.00 0.00 N ATOM 1294 CA GLN A 90 13.095 5.529 -25.286 1.00 0.00 C ATOM 1295 C GLN A 90 12.802 6.318 -24.014 1.00 0.00 C ATOM 1296 O GLN A 90 11.646 6.585 -23.686 1.00 0.00 O ATOM 1297 CB GLN A 90 13.536 4.099 -24.945 1.00 0.00 C ATOM 1298 CG GLN A 90 13.039 3.598 -23.597 1.00 0.00 C ATOM 1299 CD GLN A 90 11.532 3.429 -23.557 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.965 2.640 -24.313 1.00 0.00 O ATOM 1301 NE2 GLN A 90 10.877 4.170 -22.672 1.00 0.00 N ATOM 0 H GLN A 90 15.065 6.117 -25.689 1.00 0.00 H new ATOM 0 HA GLN A 90 12.178 5.482 -25.874 1.00 0.00 H new ATOM 0 HB2 GLN A 90 13.180 3.425 -25.724 1.00 0.00 H new ATOM 0 HB3 GLN A 90 14.625 4.054 -24.958 1.00 0.00 H new ATOM 0 HG2 GLN A 90 13.514 2.643 -23.371 1.00 0.00 H new ATOM 0 HG3 GLN A 90 13.343 4.298 -22.819 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.388 4.811 -22.065 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.862 4.099 -22.598 1.00 0.00 H new ATOM 1310 N ASP A 91 13.860 6.687 -23.303 1.00 0.00 N ATOM 1311 CA ASP A 91 13.722 7.447 -22.066 1.00 0.00 C ATOM 1312 C ASP A 91 13.393 8.904 -22.367 1.00 0.00 C ATOM 1313 O ASP A 91 12.453 9.470 -21.808 1.00 0.00 O ATOM 1314 CB ASP A 91 15.008 7.362 -21.241 1.00 0.00 C ATOM 1315 CG ASP A 91 14.824 6.562 -19.966 1.00 0.00 C ATOM 1316 OD1 ASP A 91 13.738 5.972 -19.786 1.00 0.00 O ATOM 1317 OD2 ASP A 91 15.768 6.524 -19.147 1.00 0.00 O ATOM 0 H ASP A 91 14.823 6.473 -23.561 1.00 0.00 H new ATOM 0 HA ASP A 91 12.904 7.015 -21.490 1.00 0.00 H new ATOM 0 HB2 ASP A 91 15.793 6.905 -21.843 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.343 8.368 -20.990 1.00 0.00 H new ATOM 1322 N GLN A 92 14.173 9.504 -23.259 1.00 0.00 N ATOM 1323 CA GLN A 92 13.968 10.896 -23.644 1.00 0.00 C ATOM 1324 C GLN A 92 14.331 11.836 -22.501 1.00 0.00 C ATOM 1325 O GLN A 92 13.976 13.015 -22.518 1.00 0.00 O ATOM 1326 CB GLN A 92 12.516 11.124 -24.067 1.00 0.00 C ATOM 1327 CG GLN A 92 12.011 10.109 -25.080 1.00 0.00 C ATOM 1328 CD GLN A 92 12.340 10.498 -26.507 1.00 0.00 C ATOM 1329 OE1 GLN A 92 13.341 10.052 -27.070 1.00 0.00 O ATOM 1330 NE2 GLN A 92 11.498 11.334 -27.102 1.00 0.00 N ATOM 0 H GLN A 92 14.954 9.048 -23.730 1.00 0.00 H new ATOM 0 HA GLN A 92 14.622 11.112 -24.489 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.879 11.090 -23.183 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.422 12.124 -24.490 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.449 9.135 -24.862 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.931 10.003 -24.976 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.681 11.679 -26.598 1.00 0.00 H new ATOM 0 HE22 GLN A 92 11.668 11.631 -28.063 1.00 0.00 H new ATOM 1339 N LYS A 93 15.045 11.310 -21.511 1.00 0.00 N ATOM 1340 CA LYS A 93 15.458 12.108 -20.364 1.00 0.00 C ATOM 1341 C LYS A 93 16.899 12.586 -20.541 1.00 0.00 C ATOM 1342 O LYS A 93 17.838 11.789 -20.542 1.00 0.00 O ATOM 1343 CB LYS A 93 15.277 11.299 -19.066 1.00 0.00 C ATOM 1344 CG LYS A 93 16.567 10.920 -18.349 1.00 0.00 C ATOM 1345 CD LYS A 93 17.155 9.632 -18.904 1.00 0.00 C ATOM 1346 CE LYS A 93 17.894 8.848 -17.830 1.00 0.00 C ATOM 1347 NZ LYS A 93 18.118 9.655 -16.599 1.00 0.00 N ATOM 0 H LYS A 93 15.349 10.337 -21.481 1.00 0.00 H new ATOM 0 HA LYS A 93 14.827 12.994 -20.294 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.656 11.877 -18.381 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.729 10.386 -19.300 1.00 0.00 H new ATOM 0 HG2 LYS A 93 17.293 11.727 -18.453 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.371 10.802 -17.283 1.00 0.00 H new ATOM 0 HD2 LYS A 93 16.358 9.017 -19.321 1.00 0.00 H new ATOM 0 HD3 LYS A 93 17.838 9.865 -19.721 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.324 7.954 -17.578 1.00 0.00 H new ATOM 0 HE3 LYS A 93 18.854 8.513 -18.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.818 9.179 -15.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.470 10.598 -16.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.222 9.752 -16.080 1.00 0.00 H new ATOM 1361 N TYR A 94 17.061 13.895 -20.706 1.00 0.00 N ATOM 1362 CA TYR A 94 18.381 14.482 -20.900 1.00 0.00 C ATOM 1363 C TYR A 94 18.666 15.565 -19.867 1.00 0.00 C ATOM 1364 O TYR A 94 17.860 15.819 -18.973 1.00 0.00 O ATOM 1365 CB TYR A 94 18.487 15.072 -22.308 1.00 0.00 C ATOM 1366 CG TYR A 94 17.618 16.295 -22.518 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.000 17.536 -22.021 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.419 16.207 -23.213 1.00 0.00 C ATOM 1369 CE1 TYR A 94 17.210 18.654 -22.212 1.00 0.00 C ATOM 1370 CE2 TYR A 94 15.625 17.322 -23.408 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.024 18.542 -22.906 1.00 0.00 C ATOM 1372 OH TYR A 94 15.236 19.653 -23.098 1.00 0.00 O ATOM 0 H TYR A 94 16.295 14.568 -20.709 1.00 0.00 H new ATOM 0 HA TYR A 94 19.121 13.691 -20.776 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.526 15.336 -22.505 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.208 14.309 -23.035 1.00 0.00 H new ATOM 0 HD1 TYR A 94 18.929 17.628 -21.477 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.102 15.253 -23.607 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.520 19.611 -21.819 1.00 0.00 H new ATOM 0 HE2 TYR A 94 14.696 17.237 -23.952 1.00 0.00 H new ATOM 0 HH TYR A 94 15.720 20.452 -22.803 1.00 0.00 H new ATOM 1382 N SER A 95 19.822 16.206 -20.008 1.00 0.00 N ATOM 1383 CA SER A 95 20.228 17.272 -19.103 1.00 0.00 C ATOM 1384 C SER A 95 20.899 18.399 -19.879 1.00 0.00 C ATOM 1385 O SER A 95 21.727 18.153 -20.756 1.00 0.00 O ATOM 1386 CB SER A 95 21.179 16.730 -18.033 1.00 0.00 C ATOM 1387 OG SER A 95 21.366 15.332 -18.176 1.00 0.00 O ATOM 0 H SER A 95 20.497 16.003 -20.746 1.00 0.00 H new ATOM 0 HA SER A 95 19.338 17.666 -18.612 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.141 17.238 -18.106 1.00 0.00 H new ATOM 0 HB3 SER A 95 20.778 16.947 -17.043 1.00 0.00 H new ATOM 0 HG SER A 95 22.133 15.163 -18.762 1.00 0.00 H new ATOM 1393 N PHE A 96 20.531 19.635 -19.563 1.00 0.00 N ATOM 1394 CA PHE A 96 21.093 20.795 -20.245 1.00 0.00 C ATOM 1395 C PHE A 96 22.572 20.966 -19.923 1.00 0.00 C ATOM 1396 O PHE A 96 23.141 20.212 -19.132 1.00 0.00 O ATOM 1397 CB PHE A 96 20.328 22.061 -19.860 1.00 0.00 C ATOM 1398 CG PHE A 96 19.020 22.209 -20.580 1.00 0.00 C ATOM 1399 CD1 PHE A 96 18.909 21.864 -21.919 1.00 0.00 C ATOM 1400 CD2 PHE A 96 17.901 22.687 -19.920 1.00 0.00 C ATOM 1401 CE1 PHE A 96 17.705 21.994 -22.584 1.00 0.00 C ATOM 1402 CE2 PHE A 96 16.694 22.819 -20.580 1.00 0.00 C ATOM 1403 CZ PHE A 96 16.596 22.472 -21.914 1.00 0.00 C ATOM 0 H PHE A 96 19.847 19.860 -18.840 1.00 0.00 H new ATOM 0 HA PHE A 96 20.995 20.628 -21.318 1.00 0.00 H new ATOM 0 HB2 PHE A 96 20.144 22.053 -18.786 1.00 0.00 H new ATOM 0 HB3 PHE A 96 20.950 22.931 -20.070 1.00 0.00 H new ATOM 0 HD1 PHE A 96 19.773 21.490 -22.447 1.00 0.00 H new ATOM 0 HD2 PHE A 96 17.972 22.960 -18.877 1.00 0.00 H new ATOM 0 HE1 PHE A 96 17.631 21.722 -23.627 1.00 0.00 H new ATOM 0 HE2 PHE A 96 15.828 23.193 -20.054 1.00 0.00 H new ATOM 0 HZ PHE A 96 15.654 22.574 -22.432 1.00 0.00 H new ATOM 1413 N CYS A 97 23.187 21.966 -20.544 1.00 0.00 N ATOM 1414 CA CYS A 97 24.601 22.250 -20.332 1.00 0.00 C ATOM 1415 C CYS A 97 24.892 23.729 -20.556 1.00 0.00 C ATOM 1416 O CYS A 97 25.311 24.132 -21.641 1.00 0.00 O ATOM 1417 CB CYS A 97 25.462 21.403 -21.271 1.00 0.00 C ATOM 1418 SG CYS A 97 24.983 19.648 -21.342 1.00 0.00 S ATOM 0 H CYS A 97 22.726 22.596 -21.201 1.00 0.00 H new ATOM 0 HA CYS A 97 24.847 21.997 -19.301 1.00 0.00 H new ATOM 0 HB2 CYS A 97 25.407 21.824 -22.275 1.00 0.00 H new ATOM 0 HB3 CYS A 97 26.502 21.472 -20.953 1.00 0.00 H new ATOM 1423 N THR A 98 24.661 24.534 -19.524 1.00 0.00 N ATOM 1424 CA THR A 98 24.892 25.970 -19.604 1.00 0.00 C ATOM 1425 C THR A 98 26.084 26.290 -20.495 1.00 0.00 C ATOM 1426 O THR A 98 25.963 27.029 -21.471 1.00 0.00 O ATOM 1427 CB THR A 98 25.128 26.579 -18.209 1.00 0.00 C ATOM 1428 OG1 THR A 98 26.501 26.431 -17.833 1.00 0.00 O ATOM 1429 CG2 THR A 98 24.237 25.915 -17.171 1.00 0.00 C ATOM 0 H THR A 98 24.313 24.214 -18.620 1.00 0.00 H new ATOM 0 HA THR A 98 23.994 26.409 -20.038 1.00 0.00 H new ATOM 0 HB THR A 98 24.879 27.639 -18.254 1.00 0.00 H new ATOM 0 HG1 THR A 98 26.641 26.823 -16.946 1.00 0.00 H new ATOM 0 HG21 THR A 98 24.421 26.362 -16.194 1.00 0.00 H new ATOM 0 HG22 THR A 98 23.191 26.058 -17.444 1.00 0.00 H new ATOM 0 HG23 THR A 98 24.458 24.849 -17.130 1.00 0.00 H new