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 3 HIS : no HD1:sc= -4.04! C(o=-6.7!,f=-2.6!) USER MOD Set 1.2: A 13 SER OG : rot -145:sc= -2.69! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot -68:sc= 1 USER MOD Single : A 12 TYR OH : rot -57:sc= 0.138! 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= -5.77! C(o=-5.8!,f=-4!) USER MOD Single : A 27 MET CE :methyl -159:sc= -3.75 (180deg=-4.84!) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.033 USER MOD Single : A 34 ASN : amide:sc= -4.11! C(o=-4.1!,f=-5.9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0536 X(o=-0.054,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot -143:sc= 0.0281 USER MOD Single : A 50 ASN : amide:sc= -0.734 K(o=-0.73,f=0.87) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.53 K(o=-1.5,f=-2.5!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -1.21 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -17:sc= 0.366 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.227 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) USER MOD Single : A 83 SER OG : rot -126:sc= -1.74! USER MOD Single : A 84 THR OG1 : rot -112:sc= -2.83! USER MOD Single : A 85 THR OG1 : rot 40:sc= 0.719 USER MOD Single : A 86 SER OG : rot -100:sc= -0.158 USER MOD Single : A 87 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.9!) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0279 K(o=-0.028,f=-2.3) USER MOD Single : A 92 GLN : amide:sc= -2.57! C(o=-2.6!,f=-1.7!) USER MOD Single : A 93 LYS NZ :NH3+ -168:sc= -2.85! (180deg=-3.07!) USER MOD Single : A 94 TYR OH : rot 25:sc= 0.24 USER MOD Single : A 95 SER OG : rot 92:sc= -2.01! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0503 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 45.953 -0.869 -37.766 1.00 0.00 N ATOM 32 CA HIS A 3 45.054 -1.241 -36.680 1.00 0.00 C ATOM 33 C HIS A 3 45.655 -0.873 -35.327 1.00 0.00 C ATOM 34 O HIS A 3 46.848 -1.066 -35.092 1.00 0.00 O ATOM 35 CB HIS A 3 44.755 -2.740 -36.730 1.00 0.00 C ATOM 36 CG HIS A 3 43.393 -3.061 -37.264 1.00 0.00 C ATOM 37 ND1 HIS A 3 43.183 -3.589 -38.521 1.00 0.00 N ATOM 38 CD2 HIS A 3 42.167 -2.926 -36.705 1.00 0.00 C ATOM 39 CE1 HIS A 3 41.887 -3.765 -38.711 1.00 0.00 C ATOM 40 NE2 HIS A 3 41.250 -3.371 -37.624 1.00 0.00 N ATOM 0 HA HIS A 3 44.123 -0.688 -36.805 1.00 0.00 H new ATOM 0 HB2 HIS A 3 45.505 -3.231 -37.350 1.00 0.00 H new ATOM 0 HB3 HIS A 3 44.850 -3.155 -35.727 1.00 0.00 H new ATOM 0 HD2 HIS A 3 41.951 -2.540 -35.720 1.00 0.00 H new ATOM 0 HE1 HIS A 3 41.427 -4.163 -39.603 1.00 0.00 H new ATOM 0 HE2 HIS A 3 40.239 -3.394 -37.489 1.00 0.00 H new ATOM 49 N CYS A 4 44.819 -0.341 -34.443 1.00 0.00 N ATOM 50 CA CYS A 4 45.261 0.058 -33.112 1.00 0.00 C ATOM 51 C CYS A 4 44.631 -0.830 -32.045 1.00 0.00 C ATOM 52 O CYS A 4 43.571 -1.418 -32.261 1.00 0.00 O ATOM 53 CB CYS A 4 44.903 1.524 -32.848 1.00 0.00 C ATOM 54 SG CYS A 4 43.688 2.213 -34.018 1.00 0.00 S ATOM 0 H CYS A 4 43.829 -0.176 -34.625 1.00 0.00 H new ATOM 0 HA CYS A 4 46.344 -0.057 -33.066 1.00 0.00 H new ATOM 0 HB2 CYS A 4 44.509 1.614 -31.836 1.00 0.00 H new ATOM 0 HB3 CYS A 4 45.813 2.123 -32.890 1.00 0.00 H new ATOM 59 N VAL A 5 45.288 -0.921 -30.896 1.00 0.00 N ATOM 60 CA VAL A 5 44.790 -1.737 -29.796 1.00 0.00 C ATOM 61 C VAL A 5 45.154 -1.121 -28.450 1.00 0.00 C ATOM 62 O VAL A 5 46.328 -1.034 -28.093 1.00 0.00 O ATOM 63 CB VAL A 5 45.344 -3.174 -29.854 1.00 0.00 C ATOM 64 CG1 VAL A 5 44.266 -4.177 -29.477 1.00 0.00 C ATOM 65 CG2 VAL A 5 45.907 -3.482 -31.235 1.00 0.00 C ATOM 0 H VAL A 5 46.166 -0.440 -30.701 1.00 0.00 H new ATOM 0 HA VAL A 5 43.706 -1.773 -29.900 1.00 0.00 H new ATOM 0 HB VAL A 5 46.156 -3.256 -29.132 1.00 0.00 H new ATOM 0 HG11 VAL A 5 44.676 -5.186 -29.524 1.00 0.00 H new ATOM 0 HG12 VAL A 5 43.917 -3.973 -28.465 1.00 0.00 H new ATOM 0 HG13 VAL A 5 43.431 -4.092 -30.172 1.00 0.00 H new ATOM 0 HG21 VAL A 5 46.292 -4.502 -31.252 1.00 0.00 H new ATOM 0 HG22 VAL A 5 45.118 -3.380 -31.981 1.00 0.00 H new ATOM 0 HG23 VAL A 5 46.714 -2.786 -31.463 1.00 0.00 H new ATOM 75 N THR A 6 44.139 -0.693 -27.708 1.00 0.00 N ATOM 76 CA THR A 6 44.350 -0.083 -26.401 1.00 0.00 C ATOM 77 C THR A 6 45.144 -1.008 -25.485 1.00 0.00 C ATOM 78 O THR A 6 45.856 -0.551 -24.590 1.00 0.00 O ATOM 79 CB THR A 6 43.013 0.267 -25.723 1.00 0.00 C ATOM 80 OG1 THR A 6 42.384 -0.924 -25.233 1.00 0.00 O ATOM 81 CG2 THR A 6 42.081 0.973 -26.697 1.00 0.00 C ATOM 0 H THR A 6 43.161 -0.757 -27.990 1.00 0.00 H new ATOM 0 HA THR A 6 44.916 0.834 -26.567 1.00 0.00 H new ATOM 0 HB THR A 6 43.219 0.938 -24.889 1.00 0.00 H new ATOM 0 HG1 THR A 6 41.535 -0.692 -24.802 1.00 0.00 H new ATOM 0 HG21 THR A 6 41.143 1.210 -26.196 1.00 0.00 H new ATOM 0 HG22 THR A 6 42.549 1.893 -27.046 1.00 0.00 H new ATOM 0 HG23 THR A 6 41.883 0.321 -27.548 1.00 0.00 H new ATOM 89 N ASP A 7 45.020 -2.312 -25.715 1.00 0.00 N ATOM 90 CA ASP A 7 45.728 -3.300 -24.910 1.00 0.00 C ATOM 91 C ASP A 7 45.343 -4.717 -25.321 1.00 0.00 C ATOM 92 O ASP A 7 46.203 -5.539 -25.637 1.00 0.00 O ATOM 93 CB ASP A 7 45.432 -3.088 -23.426 1.00 0.00 C ATOM 94 CG ASP A 7 46.695 -2.979 -22.595 1.00 0.00 C ATOM 95 OD1 ASP A 7 47.733 -2.553 -23.145 1.00 0.00 O ATOM 96 OD2 ASP A 7 46.649 -3.320 -21.394 1.00 0.00 O ATOM 0 H ASP A 7 44.436 -2.708 -26.452 1.00 0.00 H new ATOM 0 HA ASP A 7 46.797 -3.171 -25.081 1.00 0.00 H new ATOM 0 HB2 ASP A 7 44.840 -2.181 -23.302 1.00 0.00 H new ATOM 0 HB3 ASP A 7 44.828 -3.917 -23.057 1.00 0.00 H new ATOM 101 N SER A 8 44.046 -4.995 -25.313 1.00 0.00 N ATOM 102 CA SER A 8 43.543 -6.313 -25.683 1.00 0.00 C ATOM 103 C SER A 8 42.038 -6.408 -25.456 1.00 0.00 C ATOM 104 O SER A 8 41.574 -7.175 -24.612 1.00 0.00 O ATOM 105 CB SER A 8 44.258 -7.400 -24.879 1.00 0.00 C ATOM 106 OG SER A 8 43.596 -8.647 -25.002 1.00 0.00 O ATOM 0 H SER A 8 43.322 -4.325 -25.054 1.00 0.00 H new ATOM 0 HA SER A 8 43.743 -6.462 -26.744 1.00 0.00 H new ATOM 0 HB2 SER A 8 45.287 -7.496 -25.226 1.00 0.00 H new ATOM 0 HB3 SER A 8 44.302 -7.110 -23.829 1.00 0.00 H new ATOM 0 HG SER A 8 42.726 -8.602 -24.552 1.00 0.00 H new ATOM 112 N GLY A 9 41.279 -5.625 -26.215 1.00 0.00 N ATOM 113 CA GLY A 9 39.834 -5.638 -26.081 1.00 0.00 C ATOM 114 C GLY A 9 39.142 -4.840 -27.167 1.00 0.00 C ATOM 115 O GLY A 9 38.180 -5.309 -27.776 1.00 0.00 O ATOM 0 H GLY A 9 41.638 -4.982 -26.920 1.00 0.00 H new ATOM 0 HA2 GLY A 9 39.479 -6.668 -26.110 1.00 0.00 H new ATOM 0 HA3 GLY A 9 39.559 -5.234 -25.107 1.00 0.00 H new ATOM 119 N VAL A 10 39.634 -3.632 -27.410 1.00 0.00 N ATOM 120 CA VAL A 10 39.060 -2.763 -28.428 1.00 0.00 C ATOM 121 C VAL A 10 40.042 -2.522 -29.570 1.00 0.00 C ATOM 122 O VAL A 10 40.759 -1.522 -29.583 1.00 0.00 O ATOM 123 CB VAL A 10 38.640 -1.405 -27.835 1.00 0.00 C ATOM 124 CG1 VAL A 10 38.106 -0.487 -28.923 1.00 0.00 C ATOM 125 CG2 VAL A 10 37.607 -1.599 -26.736 1.00 0.00 C ATOM 0 H VAL A 10 40.431 -3.232 -26.915 1.00 0.00 H new ATOM 0 HA VAL A 10 38.178 -3.274 -28.814 1.00 0.00 H new ATOM 0 HB VAL A 10 39.520 -0.934 -27.396 1.00 0.00 H new ATOM 0 HG11 VAL A 10 37.815 0.467 -28.484 1.00 0.00 H new ATOM 0 HG12 VAL A 10 38.881 -0.320 -29.671 1.00 0.00 H new ATOM 0 HG13 VAL A 10 37.239 -0.949 -29.395 1.00 0.00 H new ATOM 0 HG21 VAL A 10 37.322 -0.629 -26.329 1.00 0.00 H new ATOM 0 HG22 VAL A 10 36.726 -2.093 -27.147 1.00 0.00 H new ATOM 0 HG23 VAL A 10 38.031 -2.215 -25.943 1.00 0.00 H new ATOM 135 N VAL A 11 40.066 -3.443 -30.527 1.00 0.00 N ATOM 136 CA VAL A 11 40.957 -3.325 -31.675 1.00 0.00 C ATOM 137 C VAL A 11 40.560 -2.142 -32.549 1.00 0.00 C ATOM 138 O VAL A 11 39.775 -2.283 -33.486 1.00 0.00 O ATOM 139 CB VAL A 11 40.951 -4.608 -32.529 1.00 0.00 C ATOM 140 CG1 VAL A 11 42.048 -4.554 -33.581 1.00 0.00 C ATOM 141 CG2 VAL A 11 41.108 -5.836 -31.646 1.00 0.00 C ATOM 0 H VAL A 11 39.480 -4.278 -30.531 1.00 0.00 H new ATOM 0 HA VAL A 11 41.962 -3.168 -31.284 1.00 0.00 H new ATOM 0 HB VAL A 11 39.992 -4.678 -33.042 1.00 0.00 H new ATOM 0 HG11 VAL A 11 42.028 -5.468 -34.174 1.00 0.00 H new ATOM 0 HG12 VAL A 11 41.886 -3.695 -34.232 1.00 0.00 H new ATOM 0 HG13 VAL A 11 43.017 -4.460 -33.091 1.00 0.00 H new ATOM 0 HG21 VAL A 11 41.102 -6.733 -32.265 1.00 0.00 H new ATOM 0 HG22 VAL A 11 42.052 -5.776 -31.104 1.00 0.00 H new ATOM 0 HG23 VAL A 11 40.283 -5.881 -30.935 1.00 0.00 H new ATOM 151 N TYR A 12 41.104 -0.971 -32.231 1.00 0.00 N ATOM 152 CA TYR A 12 40.802 0.242 -32.982 1.00 0.00 C ATOM 153 C TYR A 12 41.460 0.221 -34.356 1.00 0.00 C ATOM 154 O TYR A 12 42.237 -0.679 -34.673 1.00 0.00 O ATOM 155 CB TYR A 12 41.268 1.475 -32.206 1.00 0.00 C ATOM 156 CG TYR A 12 40.362 1.838 -31.052 1.00 0.00 C ATOM 157 CD1 TYR A 12 39.013 2.097 -31.259 1.00 0.00 C ATOM 158 CD2 TYR A 12 40.855 1.918 -29.756 1.00 0.00 C ATOM 159 CE1 TYR A 12 38.180 2.425 -30.207 1.00 0.00 C ATOM 160 CE2 TYR A 12 40.028 2.243 -28.698 1.00 0.00 C ATOM 161 CZ TYR A 12 38.692 2.496 -28.928 1.00 0.00 C ATOM 162 OH TYR A 12 37.864 2.819 -27.877 1.00 0.00 O ATOM 0 H TYR A 12 41.756 -0.837 -31.458 1.00 0.00 H new ATOM 0 HA TYR A 12 39.722 0.287 -33.120 1.00 0.00 H new ATOM 0 HB2 TYR A 12 42.274 1.297 -31.826 1.00 0.00 H new ATOM 0 HB3 TYR A 12 41.331 2.322 -32.889 1.00 0.00 H new ATOM 0 HD1 TYR A 12 38.609 2.041 -32.259 1.00 0.00 H new ATOM 0 HD2 TYR A 12 41.901 1.723 -29.572 1.00 0.00 H new ATOM 0 HE1 TYR A 12 37.134 2.625 -30.385 1.00 0.00 H new ATOM 0 HE2 TYR A 12 40.426 2.299 -27.696 1.00 0.00 H new ATOM 0 HH TYR A 12 37.442 3.687 -28.048 1.00 0.00 H new ATOM 172 N SER A 13 41.144 1.227 -35.164 1.00 0.00 N ATOM 173 CA SER A 13 41.699 1.340 -36.505 1.00 0.00 C ATOM 174 C SER A 13 41.922 2.803 -36.867 1.00 0.00 C ATOM 175 O SER A 13 41.071 3.651 -36.607 1.00 0.00 O ATOM 176 CB SER A 13 40.770 0.682 -37.526 1.00 0.00 C ATOM 177 OG SER A 13 40.946 -0.725 -37.544 1.00 0.00 O ATOM 0 H SER A 13 40.503 1.979 -34.911 1.00 0.00 H new ATOM 0 HA SER A 13 42.659 0.824 -36.523 1.00 0.00 H new ATOM 0 HB2 SER A 13 39.734 0.919 -37.285 1.00 0.00 H new ATOM 0 HB3 SER A 13 40.968 1.089 -38.518 1.00 0.00 H new ATOM 0 HG SER A 13 40.824 -1.058 -38.457 1.00 0.00 H new ATOM 183 N VAL A 14 43.076 3.089 -37.459 1.00 0.00 N ATOM 184 CA VAL A 14 43.419 4.450 -37.853 1.00 0.00 C ATOM 185 C VAL A 14 42.232 5.156 -38.503 1.00 0.00 C ATOM 186 O VAL A 14 42.073 5.131 -39.723 1.00 0.00 O ATOM 187 CB VAL A 14 44.617 4.465 -38.824 1.00 0.00 C ATOM 188 CG1 VAL A 14 44.482 3.355 -39.855 1.00 0.00 C ATOM 189 CG2 VAL A 14 44.747 5.820 -39.504 1.00 0.00 C ATOM 0 H VAL A 14 43.791 2.395 -37.677 1.00 0.00 H new ATOM 0 HA VAL A 14 43.693 4.984 -36.943 1.00 0.00 H new ATOM 0 HB VAL A 14 45.525 4.289 -38.248 1.00 0.00 H new ATOM 0 HG11 VAL A 14 45.336 3.381 -40.532 1.00 0.00 H new ATOM 0 HG12 VAL A 14 44.449 2.390 -39.349 1.00 0.00 H new ATOM 0 HG13 VAL A 14 43.564 3.497 -40.425 1.00 0.00 H new ATOM 0 HG21 VAL A 14 45.599 5.806 -40.184 1.00 0.00 H new ATOM 0 HG22 VAL A 14 43.838 6.034 -40.066 1.00 0.00 H new ATOM 0 HG23 VAL A 14 44.898 6.593 -38.750 1.00 0.00 H new ATOM 199 N GLY A 15 41.403 5.785 -37.677 1.00 0.00 N ATOM 200 CA GLY A 15 40.243 6.493 -38.181 1.00 0.00 C ATOM 201 C GLY A 15 38.963 6.082 -37.480 1.00 0.00 C ATOM 202 O GLY A 15 37.886 6.591 -37.790 1.00 0.00 O ATOM 0 H GLY A 15 41.515 5.817 -36.664 1.00 0.00 H new ATOM 0 HA2 GLY A 15 40.393 7.565 -38.057 1.00 0.00 H new ATOM 0 HA3 GLY A 15 40.144 6.307 -39.250 1.00 0.00 H new ATOM 206 N MET A 16 39.080 5.158 -36.531 1.00 0.00 N ATOM 207 CA MET A 16 37.923 4.680 -35.784 1.00 0.00 C ATOM 208 C MET A 16 37.282 5.817 -34.995 1.00 0.00 C ATOM 209 O MET A 16 36.069 5.831 -34.785 1.00 0.00 O ATOM 210 CB MET A 16 38.332 3.552 -34.837 1.00 0.00 C ATOM 211 CG MET A 16 37.165 2.932 -34.086 1.00 0.00 C ATOM 212 SD MET A 16 37.129 1.135 -34.221 1.00 0.00 S ATOM 213 CE MET A 16 36.121 0.926 -35.686 1.00 0.00 C ATOM 0 H MET A 16 39.964 4.726 -36.262 1.00 0.00 H new ATOM 0 HA MET A 16 37.192 4.297 -36.496 1.00 0.00 H new ATOM 0 HB2 MET A 16 38.839 2.775 -35.409 1.00 0.00 H new ATOM 0 HB3 MET A 16 39.053 3.938 -34.116 1.00 0.00 H new ATOM 0 HG2 MET A 16 37.225 3.212 -33.034 1.00 0.00 H new ATOM 0 HG3 MET A 16 36.231 3.340 -34.472 1.00 0.00 H new ATOM 0 HE1 MET A 16 36.007 -0.137 -35.900 1.00 0.00 H new ATOM 0 HE2 MET A 16 35.140 1.370 -35.519 1.00 0.00 H new ATOM 0 HE3 MET A 16 36.602 1.417 -36.532 1.00 0.00 H new ATOM 223 N GLN A 17 38.104 6.768 -34.563 1.00 0.00 N ATOM 224 CA GLN A 17 37.622 7.911 -33.795 1.00 0.00 C ATOM 225 C GLN A 17 36.593 7.477 -32.759 1.00 0.00 C ATOM 226 O GLN A 17 35.422 7.268 -33.078 1.00 0.00 O ATOM 227 CB GLN A 17 37.019 8.964 -34.726 1.00 0.00 C ATOM 228 CG GLN A 17 37.877 10.209 -34.864 1.00 0.00 C ATOM 229 CD GLN A 17 37.073 11.433 -35.252 1.00 0.00 C ATOM 230 OE1 GLN A 17 36.775 11.649 -36.427 1.00 0.00 O ATOM 231 NE2 GLN A 17 36.716 12.244 -34.262 1.00 0.00 N ATOM 0 H GLN A 17 39.110 6.770 -34.732 1.00 0.00 H new ATOM 0 HA GLN A 17 38.472 8.348 -33.272 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.869 8.524 -35.712 1.00 0.00 H new ATOM 0 HB3 GLN A 17 36.036 9.249 -34.352 1.00 0.00 H new ATOM 0 HG2 GLN A 17 38.388 10.399 -33.920 1.00 0.00 H new ATOM 0 HG3 GLN A 17 38.648 10.033 -35.614 1.00 0.00 H new ATOM 0 HE21 GLN A 17 36.985 12.026 -33.302 1.00 0.00 H new ATOM 0 HE22 GLN A 17 36.173 13.084 -34.462 1.00 0.00 H new ATOM 240 N TRP A 18 37.039 7.340 -31.517 1.00 0.00 N ATOM 241 CA TRP A 18 36.160 6.922 -30.431 1.00 0.00 C ATOM 242 C TRP A 18 36.294 7.851 -29.225 1.00 0.00 C ATOM 243 O TRP A 18 36.833 8.953 -29.331 1.00 0.00 O ATOM 244 CB TRP A 18 36.483 5.483 -30.031 1.00 0.00 C ATOM 245 CG TRP A 18 37.892 5.316 -29.562 1.00 0.00 C ATOM 246 CD1 TRP A 18 38.328 5.312 -28.270 1.00 0.00 C ATOM 247 CD2 TRP A 18 39.053 5.143 -30.381 1.00 0.00 C ATOM 248 NE1 TRP A 18 39.688 5.143 -28.233 1.00 0.00 N ATOM 249 CE2 TRP A 18 40.159 5.038 -29.517 1.00 0.00 C ATOM 250 CE3 TRP A 18 39.265 5.065 -31.762 1.00 0.00 C ATOM 251 CZ2 TRP A 18 41.458 4.860 -29.990 1.00 0.00 C ATOM 252 CZ3 TRP A 18 40.553 4.888 -32.229 1.00 0.00 C ATOM 253 CH2 TRP A 18 41.636 4.787 -31.347 1.00 0.00 C ATOM 0 H TRP A 18 38.004 7.512 -31.236 1.00 0.00 H new ATOM 0 HA TRP A 18 35.129 6.976 -30.781 1.00 0.00 H new ATOM 0 HB2 TRP A 18 35.802 5.169 -29.240 1.00 0.00 H new ATOM 0 HB3 TRP A 18 36.308 4.826 -30.883 1.00 0.00 H new ATOM 0 HD1 TRP A 18 37.695 5.425 -27.403 1.00 0.00 H new ATOM 0 HE1 TRP A 18 40.257 5.102 -27.388 1.00 0.00 H new ATOM 0 HE3 TRP A 18 38.436 5.142 -32.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 42.295 4.782 -29.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 40.728 4.826 -33.293 1.00 0.00 H new ATOM 0 HH2 TRP A 18 42.631 4.649 -31.744 1.00 0.00 H new ATOM 264 N LEU A 19 35.800 7.397 -28.078 1.00 0.00 N ATOM 265 CA LEU A 19 35.856 8.186 -26.853 1.00 0.00 C ATOM 266 C LEU A 19 36.110 7.293 -25.643 1.00 0.00 C ATOM 267 O LEU A 19 35.366 6.344 -25.394 1.00 0.00 O ATOM 268 CB LEU A 19 34.546 8.954 -26.667 1.00 0.00 C ATOM 269 CG LEU A 19 34.521 9.910 -25.474 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.533 11.354 -25.949 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.304 9.642 -24.602 1.00 0.00 C ATOM 0 H LEU A 19 35.356 6.485 -27.971 1.00 0.00 H new ATOM 0 HA LEU A 19 36.681 8.894 -26.938 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.344 9.524 -27.574 1.00 0.00 H new ATOM 0 HB3 LEU A 19 33.734 8.236 -26.555 1.00 0.00 H new ATOM 0 HG LEU A 19 35.416 9.739 -24.875 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.515 12.021 -25.087 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.436 11.538 -26.531 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.657 11.540 -26.570 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.302 10.331 -23.758 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.397 9.785 -25.189 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.339 8.617 -24.233 1.00 0.00 H new ATOM 283 N LYS A 20 37.163 7.601 -24.895 1.00 0.00 N ATOM 284 CA LYS A 20 37.510 6.822 -23.712 1.00 0.00 C ATOM 285 C LYS A 20 37.239 7.615 -22.437 1.00 0.00 C ATOM 286 O LYS A 20 37.497 8.817 -22.373 1.00 0.00 O ATOM 287 CB LYS A 20 38.981 6.410 -23.766 1.00 0.00 C ATOM 288 CG LYS A 20 39.925 7.483 -23.253 1.00 0.00 C ATOM 289 CD LYS A 20 41.370 7.019 -23.296 1.00 0.00 C ATOM 290 CE LYS A 20 41.862 6.617 -21.915 1.00 0.00 C ATOM 291 NZ LYS A 20 43.224 6.016 -21.961 1.00 0.00 N ATOM 0 H LYS A 20 37.790 8.383 -25.086 1.00 0.00 H new ATOM 0 HA LYS A 20 36.887 5.928 -23.700 1.00 0.00 H new ATOM 0 HB2 LYS A 20 39.119 5.503 -23.177 1.00 0.00 H new ATOM 0 HB3 LYS A 20 39.245 6.165 -24.795 1.00 0.00 H new ATOM 0 HG2 LYS A 20 39.813 8.385 -23.854 1.00 0.00 H new ATOM 0 HG3 LYS A 20 39.657 7.747 -22.230 1.00 0.00 H new ATOM 0 HD2 LYS A 20 41.463 6.174 -23.978 1.00 0.00 H new ATOM 0 HD3 LYS A 20 41.999 7.817 -23.690 1.00 0.00 H new ATOM 0 HE2 LYS A 20 41.874 7.492 -21.265 1.00 0.00 H new ATOM 0 HE3 LYS A 20 41.165 5.903 -21.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.521 5.756 -20.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 43.208 5.166 -22.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 43.895 6.706 -22.356 1.00 0.00 H new ATOM 379 N GLN A 26 36.508 12.280 -19.013 1.00 0.00 N ATOM 380 CA GLN A 26 35.972 12.107 -20.356 1.00 0.00 C ATOM 381 C GLN A 26 36.997 12.543 -21.396 1.00 0.00 C ATOM 382 O GLN A 26 37.168 13.734 -21.653 1.00 0.00 O ATOM 383 CB GLN A 26 34.683 12.913 -20.521 1.00 0.00 C ATOM 384 CG GLN A 26 33.491 12.306 -19.800 1.00 0.00 C ATOM 385 CD GLN A 26 32.209 13.077 -20.045 1.00 0.00 C ATOM 386 OE1 GLN A 26 32.167 14.298 -19.893 1.00 0.00 O ATOM 387 NE2 GLN A 26 31.155 12.367 -20.428 1.00 0.00 N ATOM 0 HA GLN A 26 35.748 11.051 -20.505 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.846 13.924 -20.148 1.00 0.00 H new ATOM 0 HB3 GLN A 26 34.451 12.998 -21.583 1.00 0.00 H new ATOM 0 HG2 GLN A 26 33.359 11.275 -20.128 1.00 0.00 H new ATOM 0 HG3 GLN A 26 33.694 12.277 -18.730 1.00 0.00 H new ATOM 0 HE21 GLN A 26 31.235 11.356 -20.542 1.00 0.00 H new ATOM 0 HE22 GLN A 26 30.265 12.832 -20.609 1.00 0.00 H new ATOM 396 N MET A 27 37.685 11.571 -21.984 1.00 0.00 N ATOM 397 CA MET A 27 38.703 11.858 -22.986 1.00 0.00 C ATOM 398 C MET A 27 38.368 11.198 -24.319 1.00 0.00 C ATOM 399 O MET A 27 38.056 10.009 -24.374 1.00 0.00 O ATOM 400 CB MET A 27 40.070 11.377 -22.496 1.00 0.00 C ATOM 401 CG MET A 27 41.201 12.349 -22.788 1.00 0.00 C ATOM 402 SD MET A 27 42.754 11.512 -23.158 1.00 0.00 S ATOM 403 CE MET A 27 43.728 12.874 -23.797 1.00 0.00 C ATOM 0 H MET A 27 37.556 10.579 -21.784 1.00 0.00 H new ATOM 0 HA MET A 27 38.731 12.937 -23.139 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.020 11.204 -21.421 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.297 10.419 -22.963 1.00 0.00 H new ATOM 0 HG2 MET A 27 40.923 12.982 -23.631 1.00 0.00 H new ATOM 0 HG3 MET A 27 41.342 13.006 -21.930 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.547 12.484 -24.402 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.097 13.516 -24.412 1.00 0.00 H new ATOM 0 HE3 MET A 27 44.134 13.452 -22.967 1.00 0.00 H new ATOM 413 N LEU A 28 38.446 11.978 -25.392 1.00 0.00 N ATOM 414 CA LEU A 28 38.163 11.467 -26.730 1.00 0.00 C ATOM 415 C LEU A 28 39.431 10.898 -27.355 1.00 0.00 C ATOM 416 O LEU A 28 40.449 11.582 -27.436 1.00 0.00 O ATOM 417 CB LEU A 28 37.594 12.574 -27.617 1.00 0.00 C ATOM 418 CG LEU A 28 37.183 12.126 -29.019 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.696 11.806 -29.061 1.00 0.00 C ATOM 420 CD2 LEU A 28 37.530 13.195 -30.044 1.00 0.00 C ATOM 0 H LEU A 28 38.702 12.965 -25.362 1.00 0.00 H new ATOM 0 HA LEU A 28 37.422 10.672 -26.646 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.726 13.007 -27.121 1.00 0.00 H new ATOM 0 HB3 LEU A 28 38.338 13.366 -27.708 1.00 0.00 H new ATOM 0 HG LEU A 28 37.736 11.221 -29.268 1.00 0.00 H new ATOM 0 HD11 LEU A 28 35.420 11.489 -30.067 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.476 11.005 -28.355 1.00 0.00 H new ATOM 0 HD13 LEU A 28 35.125 12.694 -28.792 1.00 0.00 H new ATOM 0 HD21 LEU A 28 37.230 12.858 -31.036 1.00 0.00 H new ATOM 0 HD22 LEU A 28 37.004 14.118 -29.799 1.00 0.00 H new ATOM 0 HD23 LEU A 28 38.605 13.376 -30.032 1.00 0.00 H new ATOM 432 N CYS A 29 39.366 9.643 -27.787 1.00 0.00 N ATOM 433 CA CYS A 29 40.523 8.986 -28.388 1.00 0.00 C ATOM 434 C CYS A 29 40.369 8.846 -29.898 1.00 0.00 C ATOM 435 O CYS A 29 39.269 8.633 -30.407 1.00 0.00 O ATOM 436 CB CYS A 29 40.726 7.607 -27.758 1.00 0.00 C ATOM 437 SG CYS A 29 41.756 7.616 -26.254 1.00 0.00 S ATOM 0 H CYS A 29 38.529 9.062 -27.733 1.00 0.00 H new ATOM 0 HA CYS A 29 41.396 9.610 -28.196 1.00 0.00 H new ATOM 0 HB2 CYS A 29 39.751 7.184 -27.515 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.185 6.947 -28.495 1.00 0.00 H new ATOM 442 N THR A 30 41.490 8.957 -30.607 1.00 0.00 N ATOM 443 CA THR A 30 41.497 8.831 -32.060 1.00 0.00 C ATOM 444 C THR A 30 42.704 8.031 -32.528 1.00 0.00 C ATOM 445 O THR A 30 43.733 7.988 -31.853 1.00 0.00 O ATOM 446 CB THR A 30 41.514 10.205 -32.756 1.00 0.00 C ATOM 447 OG1 THR A 30 40.329 10.939 -32.425 1.00 0.00 O ATOM 448 CG2 THR A 30 41.609 10.040 -34.269 1.00 0.00 C ATOM 0 H THR A 30 42.407 9.134 -30.196 1.00 0.00 H new ATOM 0 HA THR A 30 40.579 8.311 -32.332 1.00 0.00 H new ATOM 0 HB THR A 30 42.388 10.755 -32.407 1.00 0.00 H new ATOM 0 HG1 THR A 30 40.350 11.812 -32.871 1.00 0.00 H new ATOM 0 HG21 THR A 30 41.620 11.022 -34.742 1.00 0.00 H new ATOM 0 HG22 THR A 30 42.526 9.506 -34.520 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.750 9.474 -34.628 1.00 0.00 H new ATOM 456 N CYS A 31 42.574 7.401 -33.686 1.00 0.00 N ATOM 457 CA CYS A 31 43.656 6.603 -34.245 1.00 0.00 C ATOM 458 C CYS A 31 44.136 7.203 -35.563 1.00 0.00 C ATOM 459 O CYS A 31 43.485 7.058 -36.599 1.00 0.00 O ATOM 460 CB CYS A 31 43.190 5.161 -34.446 1.00 0.00 C ATOM 461 SG CYS A 31 44.536 3.951 -34.636 1.00 0.00 S ATOM 0 H CYS A 31 41.730 7.427 -34.258 1.00 0.00 H new ATOM 0 HA CYS A 31 44.493 6.605 -33.547 1.00 0.00 H new ATOM 0 HB2 CYS A 31 42.574 4.870 -33.595 1.00 0.00 H new ATOM 0 HB3 CYS A 31 42.553 5.118 -35.330 1.00 0.00 H new ATOM 466 N LEU A 32 45.274 7.890 -35.510 1.00 0.00 N ATOM 467 CA LEU A 32 45.843 8.532 -36.692 1.00 0.00 C ATOM 468 C LEU A 32 46.583 7.527 -37.568 1.00 0.00 C ATOM 469 O LEU A 32 46.489 7.570 -38.793 1.00 0.00 O ATOM 470 CB LEU A 32 46.792 9.659 -36.277 1.00 0.00 C ATOM 471 CG LEU A 32 47.522 9.438 -34.950 1.00 0.00 C ATOM 472 CD1 LEU A 32 48.959 9.922 -35.042 1.00 0.00 C ATOM 473 CD2 LEU A 32 46.792 10.142 -33.817 1.00 0.00 C ATOM 0 H LEU A 32 45.822 8.017 -34.659 1.00 0.00 H new ATOM 0 HA LEU A 32 45.020 8.948 -37.273 1.00 0.00 H new ATOM 0 HB2 LEU A 32 47.534 9.796 -37.064 1.00 0.00 H new ATOM 0 HB3 LEU A 32 46.223 10.586 -36.211 1.00 0.00 H new ATOM 0 HG LEU A 32 47.535 8.369 -34.739 1.00 0.00 H new ATOM 0 HD11 LEU A 32 49.461 9.756 -34.089 1.00 0.00 H new ATOM 0 HD12 LEU A 32 49.479 9.372 -35.826 1.00 0.00 H new ATOM 0 HD13 LEU A 32 48.970 10.986 -35.277 1.00 0.00 H new ATOM 0 HD21 LEU A 32 47.325 9.974 -32.881 1.00 0.00 H new ATOM 0 HD22 LEU A 32 46.747 11.212 -34.022 1.00 0.00 H new ATOM 0 HD23 LEU A 32 45.780 9.746 -33.734 1.00 0.00 H new ATOM 485 N GLY A 33 47.323 6.628 -36.932 1.00 0.00 N ATOM 486 CA GLY A 33 48.072 5.627 -37.670 1.00 0.00 C ATOM 487 C GLY A 33 49.299 5.154 -36.921 1.00 0.00 C ATOM 488 O GLY A 33 49.443 3.965 -36.638 1.00 0.00 O ATOM 0 H GLY A 33 47.419 6.573 -35.918 1.00 0.00 H new ATOM 0 HA2 GLY A 33 47.426 4.774 -37.878 1.00 0.00 H new ATOM 0 HA3 GLY A 33 48.374 6.040 -38.632 1.00 0.00 H new ATOM 492 N ASN A 34 50.178 6.090 -36.590 1.00 0.00 N ATOM 493 CA ASN A 34 51.395 5.768 -35.857 1.00 0.00 C ATOM 494 C ASN A 34 51.072 5.517 -34.391 1.00 0.00 C ATOM 495 O ASN A 34 51.850 4.899 -33.665 1.00 0.00 O ATOM 496 CB ASN A 34 52.408 6.907 -35.980 1.00 0.00 C ATOM 497 CG ASN A 34 51.991 8.136 -35.197 1.00 0.00 C ATOM 498 OD1 ASN A 34 51.472 9.100 -35.762 1.00 0.00 O ATOM 499 ND2 ASN A 34 52.217 8.108 -33.889 1.00 0.00 N ATOM 0 H ASN A 34 50.071 7.079 -36.817 1.00 0.00 H new ATOM 0 HA ASN A 34 51.829 4.865 -36.285 1.00 0.00 H new ATOM 0 HB2 ASN A 34 53.380 6.565 -35.625 1.00 0.00 H new ATOM 0 HB3 ASN A 34 52.528 7.172 -37.031 1.00 0.00 H new ATOM 0 HD21 ASN A 34 51.958 8.906 -33.310 1.00 0.00 H new ATOM 0 HD22 ASN A 34 52.649 7.288 -33.464 1.00 0.00 H new ATOM 506 N GLY A 35 49.911 6.004 -33.969 1.00 0.00 N ATOM 507 CA GLY A 35 49.483 5.831 -32.598 1.00 0.00 C ATOM 508 C GLY A 35 48.094 6.387 -32.363 1.00 0.00 C ATOM 509 O GLY A 35 47.438 6.849 -33.298 1.00 0.00 O ATOM 0 H GLY A 35 49.256 6.519 -34.558 1.00 0.00 H new ATOM 0 HA2 GLY A 35 49.497 4.771 -32.345 1.00 0.00 H new ATOM 0 HA3 GLY A 35 50.189 6.327 -31.932 1.00 0.00 H new ATOM 513 N VAL A 36 47.642 6.349 -31.116 1.00 0.00 N ATOM 514 CA VAL A 36 46.322 6.859 -30.771 1.00 0.00 C ATOM 515 C VAL A 36 46.430 8.197 -30.047 1.00 0.00 C ATOM 516 O VAL A 36 47.051 8.294 -28.988 1.00 0.00 O ATOM 517 CB VAL A 36 45.539 5.858 -29.897 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.357 6.536 -29.218 1.00 0.00 C ATOM 519 CG2 VAL A 36 45.071 4.676 -30.733 1.00 0.00 C ATOM 0 H VAL A 36 48.169 5.971 -30.329 1.00 0.00 H new ATOM 0 HA VAL A 36 45.777 7.000 -31.705 1.00 0.00 H new ATOM 0 HB VAL A 36 46.208 5.490 -29.119 1.00 0.00 H new ATOM 0 HG11 VAL A 36 43.822 5.809 -28.608 1.00 0.00 H new ATOM 0 HG12 VAL A 36 44.717 7.346 -28.584 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.685 6.939 -29.975 1.00 0.00 H new ATOM 0 HG21 VAL A 36 44.520 3.979 -30.101 1.00 0.00 H new ATOM 0 HG22 VAL A 36 44.422 5.031 -31.534 1.00 0.00 H new ATOM 0 HG23 VAL A 36 45.935 4.170 -31.164 1.00 0.00 H new ATOM 529 N SER A 37 45.823 9.225 -30.628 1.00 0.00 N ATOM 530 CA SER A 37 45.850 10.559 -30.044 1.00 0.00 C ATOM 531 C SER A 37 44.481 10.942 -29.495 1.00 0.00 C ATOM 532 O SER A 37 43.522 11.104 -30.249 1.00 0.00 O ATOM 533 CB SER A 37 46.300 11.585 -31.086 1.00 0.00 C ATOM 534 OG SER A 37 46.645 12.816 -30.474 1.00 0.00 O ATOM 0 H SER A 37 45.305 9.159 -31.505 1.00 0.00 H new ATOM 0 HA SER A 37 46.562 10.552 -29.219 1.00 0.00 H new ATOM 0 HB2 SER A 37 47.157 11.197 -31.637 1.00 0.00 H new ATOM 0 HB3 SER A 37 45.502 11.747 -31.810 1.00 0.00 H new ATOM 0 HG SER A 37 46.931 13.454 -31.161 1.00 0.00 H new ATOM 540 N CYS A 38 44.398 11.087 -28.178 1.00 0.00 N ATOM 541 CA CYS A 38 43.146 11.456 -27.532 1.00 0.00 C ATOM 542 C CYS A 38 43.235 12.864 -26.955 1.00 0.00 C ATOM 543 O CYS A 38 44.312 13.323 -26.575 1.00 0.00 O ATOM 544 CB CYS A 38 42.801 10.457 -26.425 1.00 0.00 C ATOM 545 SG CYS A 38 43.357 8.755 -26.761 1.00 0.00 S ATOM 0 H CYS A 38 45.181 10.955 -27.538 1.00 0.00 H new ATOM 0 HA CYS A 38 42.356 11.436 -28.283 1.00 0.00 H new ATOM 0 HB2 CYS A 38 43.249 10.797 -25.491 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.721 10.453 -26.278 1.00 0.00 H new ATOM 550 N GLN A 39 42.096 13.545 -26.894 1.00 0.00 N ATOM 551 CA GLN A 39 42.048 14.902 -26.367 1.00 0.00 C ATOM 552 C GLN A 39 41.211 14.960 -25.094 1.00 0.00 C ATOM 553 O GLN A 39 40.048 14.557 -25.084 1.00 0.00 O ATOM 554 CB GLN A 39 41.470 15.859 -27.412 1.00 0.00 C ATOM 555 CG GLN A 39 41.408 17.304 -26.943 1.00 0.00 C ATOM 556 CD GLN A 39 41.643 18.294 -28.068 1.00 0.00 C ATOM 557 OE1 GLN A 39 42.393 19.258 -27.917 1.00 0.00 O ATOM 558 NE2 GLN A 39 41.000 18.060 -29.206 1.00 0.00 N ATOM 0 H GLN A 39 41.195 13.179 -27.203 1.00 0.00 H new ATOM 0 HA GLN A 39 43.067 15.208 -26.128 1.00 0.00 H new ATOM 0 HB2 GLN A 39 42.075 15.805 -28.317 1.00 0.00 H new ATOM 0 HB3 GLN A 39 40.466 15.529 -27.680 1.00 0.00 H new ATOM 0 HG2 GLN A 39 40.433 17.495 -26.494 1.00 0.00 H new ATOM 0 HG3 GLN A 39 42.154 17.461 -26.164 1.00 0.00 H new ATOM 0 HE21 GLN A 39 40.388 17.249 -29.288 1.00 0.00 H new ATOM 0 HE22 GLN A 39 41.119 18.692 -29.998 1.00 0.00 H new ATOM 636 N GLN A 45 30.203 19.202 -16.361 1.00 0.00 N ATOM 637 CA GLN A 45 29.864 18.343 -15.233 1.00 0.00 C ATOM 638 C GLN A 45 28.377 18.005 -15.243 1.00 0.00 C ATOM 639 O GLN A 45 27.704 18.158 -16.263 1.00 0.00 O ATOM 640 CB GLN A 45 30.238 19.024 -13.915 1.00 0.00 C ATOM 641 CG GLN A 45 31.684 19.494 -13.862 1.00 0.00 C ATOM 642 CD GLN A 45 32.611 18.461 -13.253 1.00 0.00 C ATOM 643 OE1 GLN A 45 32.994 17.491 -13.907 1.00 0.00 O ATOM 644 NE2 GLN A 45 32.976 18.662 -11.993 1.00 0.00 N ATOM 0 HA GLN A 45 30.432 17.417 -15.325 1.00 0.00 H new ATOM 0 HB2 GLN A 45 29.581 19.879 -13.758 1.00 0.00 H new ATOM 0 HB3 GLN A 45 30.060 18.330 -13.094 1.00 0.00 H new ATOM 0 HG2 GLN A 45 32.022 19.731 -14.871 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.742 20.415 -13.282 1.00 0.00 H new ATOM 0 HE21 GLN A 45 32.635 19.480 -11.488 1.00 0.00 H new ATOM 0 HE22 GLN A 45 33.598 17.999 -11.530 1.00 0.00 H new ATOM 653 N THR A 46 27.867 17.542 -14.107 1.00 0.00 N ATOM 654 CA THR A 46 26.459 17.182 -13.996 1.00 0.00 C ATOM 655 C THR A 46 25.864 17.658 -12.675 1.00 0.00 C ATOM 656 O THR A 46 26.483 17.526 -11.618 1.00 0.00 O ATOM 657 CB THR A 46 26.259 15.662 -14.122 1.00 0.00 C ATOM 658 OG1 THR A 46 27.178 14.972 -13.267 1.00 0.00 O ATOM 659 CG2 THR A 46 26.461 15.209 -15.561 1.00 0.00 C ATOM 0 H THR A 46 28.407 17.407 -13.252 1.00 0.00 H new ATOM 0 HA THR A 46 25.942 17.679 -14.817 1.00 0.00 H new ATOM 0 HB THR A 46 25.238 15.426 -13.821 1.00 0.00 H new ATOM 0 HG1 THR A 46 27.042 14.005 -13.353 1.00 0.00 H new ATOM 0 HG21 THR A 46 26.315 14.131 -15.627 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.741 15.713 -16.206 1.00 0.00 H new ATOM 0 HG23 THR A 46 27.472 15.458 -15.882 1.00 0.00 H new ATOM 667 N TYR A 47 24.659 18.214 -12.745 1.00 0.00 N ATOM 668 CA TYR A 47 23.975 18.715 -11.558 1.00 0.00 C ATOM 669 C TYR A 47 22.461 18.595 -11.711 1.00 0.00 C ATOM 670 O TYR A 47 21.899 18.978 -12.737 1.00 0.00 O ATOM 671 CB TYR A 47 24.353 20.175 -11.311 1.00 0.00 C ATOM 672 CG TYR A 47 24.002 21.088 -12.463 1.00 0.00 C ATOM 673 CD1 TYR A 47 22.681 21.435 -12.721 1.00 0.00 C ATOM 674 CD2 TYR A 47 24.988 21.595 -13.298 1.00 0.00 C ATOM 675 CE1 TYR A 47 22.355 22.265 -13.777 1.00 0.00 C ATOM 676 CE2 TYR A 47 24.671 22.425 -14.356 1.00 0.00 C ATOM 677 CZ TYR A 47 23.353 22.756 -14.592 1.00 0.00 C ATOM 678 OH TYR A 47 23.031 23.581 -15.646 1.00 0.00 O ATOM 0 H TYR A 47 24.135 18.329 -13.613 1.00 0.00 H new ATOM 0 HA TYR A 47 24.287 18.111 -10.706 1.00 0.00 H new ATOM 0 HB2 TYR A 47 23.848 20.526 -10.411 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.424 20.238 -11.120 1.00 0.00 H new ATOM 0 HD1 TYR A 47 21.897 21.050 -12.086 1.00 0.00 H new ATOM 0 HD2 TYR A 47 26.021 21.336 -13.118 1.00 0.00 H new ATOM 0 HE1 TYR A 47 21.324 22.528 -13.963 1.00 0.00 H new ATOM 0 HE2 TYR A 47 25.451 22.813 -14.995 1.00 0.00 H new ATOM 0 HH TYR A 47 23.616 23.383 -16.407 1.00 0.00 H new ATOM 688 N GLY A 48 21.807 18.066 -10.684 1.00 0.00 N ATOM 689 CA GLY A 48 20.364 17.910 -10.724 1.00 0.00 C ATOM 690 C GLY A 48 19.884 17.290 -12.020 1.00 0.00 C ATOM 691 O GLY A 48 20.522 16.387 -12.560 1.00 0.00 O ATOM 0 H GLY A 48 22.249 17.742 -9.824 1.00 0.00 H new ATOM 0 HA2 GLY A 48 20.046 17.288 -9.887 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.893 18.884 -10.594 1.00 0.00 H new ATOM 695 N GLY A 49 18.753 17.777 -12.520 1.00 0.00 N ATOM 696 CA GLY A 49 18.203 17.254 -13.756 1.00 0.00 C ATOM 697 C GLY A 49 17.192 16.151 -13.516 1.00 0.00 C ATOM 698 O GLY A 49 16.128 16.388 -12.944 1.00 0.00 O ATOM 0 H GLY A 49 18.208 18.525 -12.091 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.729 18.064 -14.311 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.013 16.872 -14.378 1.00 0.00 H new ATOM 702 N ASN A 50 17.525 14.940 -13.952 1.00 0.00 N ATOM 703 CA ASN A 50 16.638 13.796 -13.780 1.00 0.00 C ATOM 704 C ASN A 50 17.303 12.713 -12.938 1.00 0.00 C ATOM 705 O ASN A 50 16.630 11.845 -12.383 1.00 0.00 O ATOM 706 CB ASN A 50 16.238 13.227 -15.142 1.00 0.00 C ATOM 707 CG ASN A 50 14.760 13.403 -15.432 1.00 0.00 C ATOM 708 OD1 ASN A 50 14.370 13.756 -16.544 1.00 0.00 O ATOM 709 ND2 ASN A 50 13.928 13.156 -14.426 1.00 0.00 N ATOM 0 H ASN A 50 18.402 14.726 -14.427 1.00 0.00 H new ATOM 0 HA ASN A 50 15.743 14.136 -13.259 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.819 13.718 -15.922 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.488 12.167 -15.177 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.922 13.257 -14.560 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.295 12.865 -13.520 1.00 0.00 H new ATOM 716 N SER A 51 18.629 12.767 -12.847 1.00 0.00 N ATOM 717 CA SER A 51 19.382 11.788 -12.073 1.00 0.00 C ATOM 718 C SER A 51 20.321 12.475 -11.086 1.00 0.00 C ATOM 719 O SER A 51 21.357 11.924 -10.714 1.00 0.00 O ATOM 720 CB SER A 51 20.183 10.877 -13.006 1.00 0.00 C ATOM 721 OG SER A 51 19.877 9.513 -12.773 1.00 0.00 O ATOM 0 H SER A 51 19.203 13.478 -13.300 1.00 0.00 H new ATOM 0 HA SER A 51 18.670 11.186 -11.508 1.00 0.00 H new ATOM 0 HB2 SER A 51 19.964 11.130 -14.043 1.00 0.00 H new ATOM 0 HB3 SER A 51 21.250 11.045 -12.856 1.00 0.00 H new ATOM 0 HG SER A 51 20.400 8.952 -13.383 1.00 0.00 H new ATOM 727 N ASN A 52 19.954 13.681 -10.665 1.00 0.00 N ATOM 728 CA ASN A 52 20.765 14.440 -9.722 1.00 0.00 C ATOM 729 C ASN A 52 22.235 14.425 -10.133 1.00 0.00 C ATOM 730 O ASN A 52 23.126 14.549 -9.293 1.00 0.00 O ATOM 731 CB ASN A 52 20.612 13.869 -8.311 1.00 0.00 C ATOM 732 CG ASN A 52 21.362 14.681 -7.274 1.00 0.00 C ATOM 733 OD1 ASN A 52 22.524 14.405 -6.972 1.00 0.00 O ATOM 734 ND2 ASN A 52 20.701 15.691 -6.721 1.00 0.00 N ATOM 0 H ASN A 52 19.100 14.153 -10.962 1.00 0.00 H new ATOM 0 HA ASN A 52 20.415 15.472 -9.729 1.00 0.00 H new ATOM 0 HB2 ASN A 52 19.555 13.837 -8.048 1.00 0.00 H new ATOM 0 HB3 ASN A 52 20.976 12.842 -8.296 1.00 0.00 H new ATOM 0 HD21 ASN A 52 21.155 16.273 -6.017 1.00 0.00 H new ATOM 0 HD22 ASN A 52 19.739 15.885 -7.000 1.00 0.00 H new ATOM 741 N GLY A 53 22.478 14.270 -11.430 1.00 0.00 N ATOM 742 CA GLY A 53 23.840 14.241 -11.930 1.00 0.00 C ATOM 743 C GLY A 53 24.476 12.872 -11.797 1.00 0.00 C ATOM 744 O GLY A 53 25.192 12.603 -10.832 1.00 0.00 O ATOM 0 H GLY A 53 21.757 14.164 -12.143 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.846 14.541 -12.978 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.439 14.971 -11.386 1.00 0.00 H new ATOM 748 N GLU A 54 24.214 12.003 -12.768 1.00 0.00 N ATOM 749 CA GLU A 54 24.763 10.653 -12.756 1.00 0.00 C ATOM 750 C GLU A 54 25.695 10.436 -13.945 1.00 0.00 C ATOM 751 O GLU A 54 25.693 11.215 -14.898 1.00 0.00 O ATOM 752 CB GLU A 54 23.634 9.623 -12.778 1.00 0.00 C ATOM 753 CG GLU A 54 23.096 9.282 -11.399 1.00 0.00 C ATOM 754 CD GLU A 54 24.190 9.155 -10.356 1.00 0.00 C ATOM 755 OE1 GLU A 54 24.665 10.200 -9.865 1.00 0.00 O ATOM 756 OE2 GLU A 54 24.571 8.011 -10.032 1.00 0.00 O ATOM 0 H GLU A 54 23.624 12.211 -13.574 1.00 0.00 H new ATOM 0 HA GLU A 54 25.340 10.527 -11.840 1.00 0.00 H new ATOM 0 HB2 GLU A 54 22.819 10.003 -13.393 1.00 0.00 H new ATOM 0 HB3 GLU A 54 23.994 8.711 -13.254 1.00 0.00 H new ATOM 0 HG2 GLU A 54 22.392 10.053 -11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 54 22.540 8.346 -11.452 1.00 0.00 H new ATOM 763 N PRO A 55 26.505 9.368 -13.902 1.00 0.00 N ATOM 764 CA PRO A 55 27.447 9.043 -14.975 1.00 0.00 C ATOM 765 C PRO A 55 26.763 8.956 -16.335 1.00 0.00 C ATOM 766 O PRO A 55 26.103 7.965 -16.648 1.00 0.00 O ATOM 767 CB PRO A 55 28.015 7.674 -14.570 1.00 0.00 C ATOM 768 CG PRO A 55 27.120 7.173 -13.486 1.00 0.00 C ATOM 769 CD PRO A 55 26.568 8.392 -12.807 1.00 0.00 C ATOM 0 HA PRO A 55 28.212 9.812 -15.086 1.00 0.00 H new ATOM 0 HB2 PRO A 55 28.026 6.988 -15.417 1.00 0.00 H new ATOM 0 HB3 PRO A 55 29.043 7.764 -14.219 1.00 0.00 H new ATOM 0 HG2 PRO A 55 26.318 6.558 -13.895 1.00 0.00 H new ATOM 0 HG3 PRO A 55 27.672 6.550 -12.782 1.00 0.00 H new ATOM 0 HD2 PRO A 55 25.585 8.205 -12.374 1.00 0.00 H new ATOM 0 HD3 PRO A 55 27.214 8.732 -11.997 1.00 0.00 H new ATOM 777 N CYS A 56 26.926 10.003 -17.140 1.00 0.00 N ATOM 778 CA CYS A 56 26.327 10.051 -18.470 1.00 0.00 C ATOM 779 C CYS A 56 26.627 8.773 -19.250 1.00 0.00 C ATOM 780 O CYS A 56 27.177 7.817 -18.704 1.00 0.00 O ATOM 781 CB CYS A 56 26.840 11.271 -19.235 1.00 0.00 C ATOM 782 SG CYS A 56 26.741 12.831 -18.298 1.00 0.00 S ATOM 0 H CYS A 56 27.469 10.831 -16.893 1.00 0.00 H new ATOM 0 HA CYS A 56 25.246 10.133 -18.355 1.00 0.00 H new ATOM 0 HB2 CYS A 56 27.877 11.097 -19.522 1.00 0.00 H new ATOM 0 HB3 CYS A 56 26.267 11.376 -20.157 1.00 0.00 H new ATOM 787 N VAL A 57 26.251 8.754 -20.527 1.00 0.00 N ATOM 788 CA VAL A 57 26.471 7.581 -21.365 1.00 0.00 C ATOM 789 C VAL A 57 26.753 7.971 -22.817 1.00 0.00 C ATOM 790 O VAL A 57 26.094 7.489 -23.738 1.00 0.00 O ATOM 791 CB VAL A 57 25.254 6.636 -21.318 1.00 0.00 C ATOM 792 CG1 VAL A 57 24.111 7.185 -22.158 1.00 0.00 C ATOM 793 CG2 VAL A 57 25.640 5.239 -21.777 1.00 0.00 C ATOM 0 H VAL A 57 25.795 9.534 -21.001 1.00 0.00 H new ATOM 0 HA VAL A 57 27.345 7.065 -20.967 1.00 0.00 H new ATOM 0 HB VAL A 57 24.913 6.572 -20.285 1.00 0.00 H new ATOM 0 HG11 VAL A 57 23.263 6.502 -22.110 1.00 0.00 H new ATOM 0 HG12 VAL A 57 23.813 8.161 -21.774 1.00 0.00 H new ATOM 0 HG13 VAL A 57 24.437 7.287 -23.193 1.00 0.00 H new ATOM 0 HG21 VAL A 57 24.767 4.588 -21.736 1.00 0.00 H new ATOM 0 HG22 VAL A 57 26.013 5.282 -22.800 1.00 0.00 H new ATOM 0 HG23 VAL A 57 26.418 4.843 -21.124 1.00 0.00 H new ATOM 803 N LEU A 58 27.741 8.837 -23.016 1.00 0.00 N ATOM 804 CA LEU A 58 28.104 9.279 -24.359 1.00 0.00 C ATOM 805 C LEU A 58 29.374 8.585 -24.839 1.00 0.00 C ATOM 806 O LEU A 58 30.114 8.001 -24.047 1.00 0.00 O ATOM 807 CB LEU A 58 28.296 10.798 -24.401 1.00 0.00 C ATOM 808 CG LEU A 58 28.686 11.451 -23.073 1.00 0.00 C ATOM 809 CD1 LEU A 58 27.524 11.402 -22.094 1.00 0.00 C ATOM 810 CD2 LEU A 58 29.916 10.775 -22.484 1.00 0.00 C ATOM 0 H LEU A 58 28.303 9.245 -22.269 1.00 0.00 H new ATOM 0 HA LEU A 58 27.285 9.009 -25.026 1.00 0.00 H new ATOM 0 HB2 LEU A 58 29.064 11.029 -25.139 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.370 11.254 -24.752 1.00 0.00 H new ATOM 0 HG LEU A 58 28.930 12.496 -23.262 1.00 0.00 H new ATOM 0 HD11 LEU A 58 27.819 11.871 -21.155 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.672 11.936 -22.514 1.00 0.00 H new ATOM 0 HD13 LEU A 58 27.247 10.364 -21.910 1.00 0.00 H new ATOM 0 HD21 LEU A 58 30.177 11.254 -21.540 1.00 0.00 H new ATOM 0 HD22 LEU A 58 29.703 9.720 -22.309 1.00 0.00 H new ATOM 0 HD23 LEU A 58 30.750 10.866 -23.180 1.00 0.00 H new ATOM 822 N PRO A 59 29.638 8.641 -26.152 1.00 0.00 N ATOM 823 CA PRO A 59 28.765 9.332 -27.105 1.00 0.00 C ATOM 824 C PRO A 59 27.454 8.588 -27.340 1.00 0.00 C ATOM 825 O PRO A 59 27.449 7.385 -27.599 1.00 0.00 O ATOM 826 CB PRO A 59 29.598 9.366 -28.386 1.00 0.00 C ATOM 827 CG PRO A 59 30.509 8.192 -28.275 1.00 0.00 C ATOM 828 CD PRO A 59 30.809 8.036 -26.810 1.00 0.00 C ATOM 0 HA PRO A 59 28.469 10.317 -26.745 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.966 9.295 -29.271 1.00 0.00 H new ATOM 0 HB3 PRO A 59 30.159 10.297 -28.469 1.00 0.00 H new ATOM 0 HG2 PRO A 59 30.038 7.294 -28.674 1.00 0.00 H new ATOM 0 HG3 PRO A 59 31.424 8.353 -28.845 1.00 0.00 H new ATOM 0 HD2 PRO A 59 30.927 6.988 -26.534 1.00 0.00 H new ATOM 0 HD3 PRO A 59 31.732 8.545 -26.533 1.00 0.00 H new ATOM 836 N PHE A 60 26.346 9.315 -27.249 1.00 0.00 N ATOM 837 CA PHE A 60 25.027 8.728 -27.453 1.00 0.00 C ATOM 838 C PHE A 60 24.399 9.245 -28.743 1.00 0.00 C ATOM 839 O PHE A 60 24.940 10.140 -29.392 1.00 0.00 O ATOM 840 CB PHE A 60 24.114 9.049 -26.269 1.00 0.00 C ATOM 841 CG PHE A 60 24.158 10.491 -25.856 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.592 11.469 -26.656 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.767 10.869 -24.670 1.00 0.00 C ATOM 844 CE1 PHE A 60 23.631 12.798 -26.281 1.00 0.00 C ATOM 845 CE2 PHE A 60 24.811 12.197 -24.291 1.00 0.00 C ATOM 846 CZ PHE A 60 24.241 13.162 -25.097 1.00 0.00 C ATOM 0 H PHE A 60 26.335 10.312 -27.035 1.00 0.00 H new ATOM 0 HA PHE A 60 25.145 7.647 -27.531 1.00 0.00 H new ATOM 0 HB2 PHE A 60 23.089 8.784 -26.528 1.00 0.00 H new ATOM 0 HB3 PHE A 60 24.399 8.427 -25.421 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.115 11.190 -27.584 1.00 0.00 H new ATOM 0 HD2 PHE A 60 25.212 10.117 -24.035 1.00 0.00 H new ATOM 0 HE1 PHE A 60 23.185 13.551 -26.913 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.291 12.480 -23.366 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.272 14.200 -24.802 1.00 0.00 H new ATOM 856 N THR A 61 23.255 8.680 -29.105 1.00 0.00 N ATOM 857 CA THR A 61 22.553 9.088 -30.317 1.00 0.00 C ATOM 858 C THR A 61 21.206 9.717 -29.980 1.00 0.00 C ATOM 859 O THR A 61 20.307 9.047 -29.470 1.00 0.00 O ATOM 860 CB THR A 61 22.329 7.897 -31.268 1.00 0.00 C ATOM 861 OG1 THR A 61 23.289 6.867 -30.998 1.00 0.00 O ATOM 862 CG2 THR A 61 22.444 8.336 -32.721 1.00 0.00 C ATOM 0 H THR A 61 22.793 7.939 -28.578 1.00 0.00 H new ATOM 0 HA THR A 61 23.183 9.824 -30.817 1.00 0.00 H new ATOM 0 HB THR A 61 21.324 7.510 -31.100 1.00 0.00 H new ATOM 0 HG1 THR A 61 23.139 6.113 -31.605 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.282 7.478 -33.374 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.694 9.099 -32.931 1.00 0.00 H new ATOM 0 HG23 THR A 61 23.438 8.746 -32.900 1.00 0.00 H new ATOM 870 N TYR A 62 21.072 11.007 -30.268 1.00 0.00 N ATOM 871 CA TYR A 62 19.834 11.726 -29.993 1.00 0.00 C ATOM 872 C TYR A 62 19.363 12.490 -31.225 1.00 0.00 C ATOM 873 O TYR A 62 20.158 13.133 -31.912 1.00 0.00 O ATOM 874 CB TYR A 62 20.027 12.692 -28.822 1.00 0.00 C ATOM 875 CG TYR A 62 18.865 13.639 -28.620 1.00 0.00 C ATOM 876 CD1 TYR A 62 17.628 13.171 -28.194 1.00 0.00 C ATOM 877 CD2 TYR A 62 19.006 15.000 -28.857 1.00 0.00 C ATOM 878 CE1 TYR A 62 16.565 14.033 -28.010 1.00 0.00 C ATOM 879 CE2 TYR A 62 17.946 15.869 -28.673 1.00 0.00 C ATOM 880 CZ TYR A 62 16.729 15.380 -28.250 1.00 0.00 C ATOM 881 OH TYR A 62 15.672 16.242 -28.067 1.00 0.00 O ATOM 0 H TYR A 62 21.805 11.576 -30.692 1.00 0.00 H new ATOM 0 HA TYR A 62 19.071 10.994 -29.728 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.179 12.117 -27.909 1.00 0.00 H new ATOM 0 HB3 TYR A 62 20.934 13.273 -28.987 1.00 0.00 H new ATOM 0 HD1 TYR A 62 17.496 12.116 -28.004 1.00 0.00 H new ATOM 0 HD2 TYR A 62 19.958 15.386 -29.190 1.00 0.00 H new ATOM 0 HE1 TYR A 62 15.610 13.653 -27.680 1.00 0.00 H new ATOM 0 HE2 TYR A 62 18.071 16.925 -28.860 1.00 0.00 H new ATOM 0 HH TYR A 62 15.085 15.895 -27.363 1.00 0.00 H new ATOM 891 N ASN A 63 18.065 12.415 -31.499 1.00 0.00 N ATOM 892 CA ASN A 63 17.486 13.099 -32.648 1.00 0.00 C ATOM 893 C ASN A 63 18.025 12.521 -33.954 1.00 0.00 C ATOM 894 O ASN A 63 17.829 13.095 -35.025 1.00 0.00 O ATOM 895 CB ASN A 63 17.776 14.598 -32.577 1.00 0.00 C ATOM 896 CG ASN A 63 16.582 15.437 -32.983 1.00 0.00 C ATOM 897 OD1 ASN A 63 16.299 15.604 -34.169 1.00 0.00 O ATOM 898 ND2 ASN A 63 15.871 15.969 -31.995 1.00 0.00 N ATOM 0 H ASN A 63 17.394 11.887 -30.941 1.00 0.00 H new ATOM 0 HA ASN A 63 16.407 12.947 -32.624 1.00 0.00 H new ATOM 0 HB2 ASN A 63 18.072 14.860 -31.561 1.00 0.00 H new ATOM 0 HB3 ASN A 63 18.620 14.833 -33.226 1.00 0.00 H new ATOM 0 HD21 ASN A 63 15.054 16.542 -32.206 1.00 0.00 H new ATOM 0 HD22 ASN A 63 16.142 15.804 -31.026 1.00 0.00 H new ATOM 905 N GLY A 64 18.702 11.382 -33.856 1.00 0.00 N ATOM 906 CA GLY A 64 19.254 10.743 -35.036 1.00 0.00 C ATOM 907 C GLY A 64 20.745 10.979 -35.187 1.00 0.00 C ATOM 908 O GLY A 64 21.419 10.267 -35.932 1.00 0.00 O ATOM 0 H GLY A 64 18.878 10.890 -32.980 1.00 0.00 H new ATOM 0 HA2 GLY A 64 19.063 9.671 -34.986 1.00 0.00 H new ATOM 0 HA3 GLY A 64 18.740 11.118 -35.921 1.00 0.00 H new ATOM 912 N ARG A 65 21.261 11.979 -34.481 1.00 0.00 N ATOM 913 CA ARG A 65 22.681 12.303 -34.543 1.00 0.00 C ATOM 914 C ARG A 65 23.420 11.733 -33.337 1.00 0.00 C ATOM 915 O ARG A 65 22.898 10.874 -32.626 1.00 0.00 O ATOM 916 CB ARG A 65 22.878 13.819 -34.617 1.00 0.00 C ATOM 917 CG ARG A 65 22.367 14.562 -33.395 1.00 0.00 C ATOM 918 CD ARG A 65 21.218 15.490 -33.748 1.00 0.00 C ATOM 919 NE ARG A 65 20.381 14.936 -34.806 1.00 0.00 N ATOM 920 CZ ARG A 65 19.429 15.623 -35.429 1.00 0.00 C ATOM 921 NH1 ARG A 65 19.205 16.890 -35.107 1.00 0.00 N ATOM 922 NH2 ARG A 65 18.703 15.045 -36.376 1.00 0.00 N ATOM 0 H ARG A 65 20.718 12.579 -33.860 1.00 0.00 H new ATOM 0 HA ARG A 65 23.095 11.850 -35.444 1.00 0.00 H new ATOM 0 HB2 ARG A 65 23.939 14.033 -34.744 1.00 0.00 H new ATOM 0 HB3 ARG A 65 22.368 14.200 -35.502 1.00 0.00 H new ATOM 0 HG2 ARG A 65 22.039 13.845 -32.643 1.00 0.00 H new ATOM 0 HG3 ARG A 65 23.179 15.139 -32.953 1.00 0.00 H new ATOM 0 HD2 ARG A 65 20.611 15.671 -32.861 1.00 0.00 H new ATOM 0 HD3 ARG A 65 21.614 16.455 -34.065 1.00 0.00 H new ATOM 0 HE ARG A 65 20.535 13.967 -35.083 1.00 0.00 H new ATOM 0 HH11 ARG A 65 19.764 17.338 -34.381 1.00 0.00 H new ATOM 0 HH12 ARG A 65 18.474 17.416 -35.586 1.00 0.00 H new ATOM 0 HH21 ARG A 65 18.875 14.072 -36.627 1.00 0.00 H new ATOM 0 HH22 ARG A 65 17.973 15.574 -36.853 1.00 0.00 H new ATOM 936 N THR A 66 24.640 12.210 -33.114 1.00 0.00 N ATOM 937 CA THR A 66 25.448 11.740 -31.995 1.00 0.00 C ATOM 938 C THR A 66 26.009 12.905 -31.185 1.00 0.00 C ATOM 939 O THR A 66 26.092 14.031 -31.673 1.00 0.00 O ATOM 940 CB THR A 66 26.617 10.861 -32.478 1.00 0.00 C ATOM 941 OG1 THR A 66 26.313 10.301 -33.762 1.00 0.00 O ATOM 942 CG2 THR A 66 26.898 9.742 -31.486 1.00 0.00 C ATOM 0 H THR A 66 25.090 12.920 -33.692 1.00 0.00 H new ATOM 0 HA THR A 66 24.789 11.147 -31.361 1.00 0.00 H new ATOM 0 HB THR A 66 27.505 11.488 -32.557 1.00 0.00 H new ATOM 0 HG1 THR A 66 27.062 9.745 -34.062 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.727 9.134 -31.848 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.158 10.171 -30.518 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.010 9.118 -31.380 1.00 0.00 H new ATOM 950 N PHE A 67 26.394 12.620 -29.945 1.00 0.00 N ATOM 951 CA PHE A 67 26.952 13.639 -29.063 1.00 0.00 C ATOM 952 C PHE A 67 27.938 13.016 -28.080 1.00 0.00 C ATOM 953 O PHE A 67 27.565 12.180 -27.256 1.00 0.00 O ATOM 954 CB PHE A 67 25.836 14.351 -28.297 1.00 0.00 C ATOM 955 CG PHE A 67 24.687 14.777 -29.164 1.00 0.00 C ATOM 956 CD1 PHE A 67 23.701 13.872 -29.527 1.00 0.00 C ATOM 957 CD2 PHE A 67 24.590 16.083 -29.617 1.00 0.00 C ATOM 958 CE1 PHE A 67 22.641 14.262 -30.321 1.00 0.00 C ATOM 959 CE2 PHE A 67 23.531 16.480 -30.411 1.00 0.00 C ATOM 960 CZ PHE A 67 22.555 15.568 -30.764 1.00 0.00 C ATOM 0 H PHE A 67 26.330 11.691 -29.528 1.00 0.00 H new ATOM 0 HA PHE A 67 27.481 14.368 -29.677 1.00 0.00 H new ATOM 0 HB2 PHE A 67 25.464 13.689 -27.515 1.00 0.00 H new ATOM 0 HB3 PHE A 67 26.250 15.229 -27.801 1.00 0.00 H new ATOM 0 HD1 PHE A 67 23.763 12.850 -29.184 1.00 0.00 H new ATOM 0 HD2 PHE A 67 25.351 16.799 -29.346 1.00 0.00 H new ATOM 0 HE1 PHE A 67 21.880 13.547 -30.596 1.00 0.00 H new ATOM 0 HE2 PHE A 67 23.466 17.502 -30.755 1.00 0.00 H new ATOM 0 HZ PHE A 67 21.727 15.875 -31.385 1.00 0.00 H new ATOM 970 N TYR A 68 29.199 13.426 -28.172 1.00 0.00 N ATOM 971 CA TYR A 68 30.238 12.908 -27.293 1.00 0.00 C ATOM 972 C TYR A 68 30.271 13.676 -25.974 1.00 0.00 C ATOM 973 O TYR A 68 31.227 13.565 -25.206 1.00 0.00 O ATOM 974 CB TYR A 68 31.600 12.994 -27.982 1.00 0.00 C ATOM 975 CG TYR A 68 31.834 11.904 -29.005 1.00 0.00 C ATOM 976 CD1 TYR A 68 30.967 11.733 -30.079 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.919 11.045 -28.896 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.178 10.737 -31.013 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.137 10.047 -29.825 1.00 0.00 C ATOM 980 CZ TYR A 68 32.265 9.897 -30.882 1.00 0.00 C ATOM 981 OH TYR A 68 32.477 8.904 -31.810 1.00 0.00 O ATOM 0 H TYR A 68 29.525 14.117 -28.848 1.00 0.00 H new ATOM 0 HA TYR A 68 30.011 11.864 -27.076 1.00 0.00 H new ATOM 0 HB2 TYR A 68 31.689 13.964 -28.471 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.384 12.945 -27.226 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.116 12.389 -30.185 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.605 11.159 -28.070 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.496 10.616 -31.841 1.00 0.00 H new ATOM 0 HE2 TYR A 68 33.986 9.387 -29.724 1.00 0.00 H new ATOM 0 HH TYR A 68 33.285 8.402 -31.574 1.00 0.00 H new ATOM 991 N SER A 69 29.221 14.453 -25.717 1.00 0.00 N ATOM 992 CA SER A 69 29.132 15.238 -24.490 1.00 0.00 C ATOM 993 C SER A 69 27.745 15.856 -24.335 1.00 0.00 C ATOM 994 O SER A 69 26.886 15.707 -25.204 1.00 0.00 O ATOM 995 CB SER A 69 30.193 16.341 -24.486 1.00 0.00 C ATOM 996 OG SER A 69 31.498 15.796 -24.597 1.00 0.00 O ATOM 0 H SER A 69 28.421 14.555 -26.342 1.00 0.00 H new ATOM 0 HA SER A 69 29.308 14.567 -23.649 1.00 0.00 H new ATOM 0 HB2 SER A 69 30.011 17.028 -25.313 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.115 16.921 -23.567 1.00 0.00 H new ATOM 0 HG SER A 69 31.474 14.842 -24.375 1.00 0.00 H new ATOM 1002 N CYS A 70 27.538 16.554 -23.222 1.00 0.00 N ATOM 1003 CA CYS A 70 26.262 17.200 -22.948 1.00 0.00 C ATOM 1004 C CYS A 70 25.835 18.076 -24.121 1.00 0.00 C ATOM 1005 O CYS A 70 26.559 18.199 -25.109 1.00 0.00 O ATOM 1006 CB CYS A 70 26.368 18.041 -21.676 1.00 0.00 C ATOM 1007 SG CYS A 70 26.946 17.114 -20.217 1.00 0.00 S ATOM 0 H CYS A 70 28.241 16.686 -22.495 1.00 0.00 H new ATOM 0 HA CYS A 70 25.507 16.427 -22.806 1.00 0.00 H new ATOM 0 HB2 CYS A 70 27.049 18.872 -21.858 1.00 0.00 H new ATOM 0 HB3 CYS A 70 25.391 18.472 -21.456 1.00 0.00 H new ATOM 1012 N THR A 71 24.658 18.684 -24.007 1.00 0.00 N ATOM 1013 CA THR A 71 24.148 19.547 -25.067 1.00 0.00 C ATOM 1014 C THR A 71 22.739 20.038 -24.758 1.00 0.00 C ATOM 1015 O THR A 71 22.062 19.506 -23.879 1.00 0.00 O ATOM 1016 CB THR A 71 24.133 18.820 -26.425 1.00 0.00 C ATOM 1017 OG1 THR A 71 23.719 19.722 -27.459 1.00 0.00 O ATOM 1018 CG2 THR A 71 23.196 17.623 -26.386 1.00 0.00 C ATOM 0 H THR A 71 24.043 18.596 -23.198 1.00 0.00 H new ATOM 0 HA THR A 71 24.822 20.402 -25.122 1.00 0.00 H new ATOM 0 HB THR A 71 25.142 18.466 -26.634 1.00 0.00 H new ATOM 0 HG1 THR A 71 23.714 19.253 -28.319 1.00 0.00 H new ATOM 0 HG21 THR A 71 23.201 17.125 -27.356 1.00 0.00 H new ATOM 0 HG22 THR A 71 23.529 16.925 -25.618 1.00 0.00 H new ATOM 0 HG23 THR A 71 22.185 17.960 -26.157 1.00 0.00 H new ATOM 1026 N THR A 72 22.303 21.056 -25.494 1.00 0.00 N ATOM 1027 CA THR A 72 20.975 21.623 -25.309 1.00 0.00 C ATOM 1028 C THR A 72 20.159 21.541 -26.595 1.00 0.00 C ATOM 1029 O THR A 72 19.600 22.537 -27.054 1.00 0.00 O ATOM 1030 CB THR A 72 21.051 23.094 -24.857 1.00 0.00 C ATOM 1031 OG1 THR A 72 22.338 23.639 -25.175 1.00 0.00 O ATOM 1032 CG2 THR A 72 20.805 23.208 -23.362 1.00 0.00 C ATOM 0 H THR A 72 22.854 21.505 -26.226 1.00 0.00 H new ATOM 0 HA THR A 72 20.485 21.036 -24.532 1.00 0.00 H new ATOM 0 HB THR A 72 20.279 23.655 -25.384 1.00 0.00 H new ATOM 0 HG1 THR A 72 22.378 24.575 -24.886 1.00 0.00 H new ATOM 0 HG21 THR A 72 20.863 24.254 -23.062 1.00 0.00 H new ATOM 0 HG22 THR A 72 19.815 22.817 -23.125 1.00 0.00 H new ATOM 0 HG23 THR A 72 21.560 22.634 -22.824 1.00 0.00 H new ATOM 1040 N GLU A 73 20.096 20.345 -27.175 1.00 0.00 N ATOM 1041 CA GLU A 73 19.348 20.133 -28.409 1.00 0.00 C ATOM 1042 C GLU A 73 18.002 19.473 -28.128 1.00 0.00 C ATOM 1043 O GLU A 73 17.277 19.102 -29.052 1.00 0.00 O ATOM 1044 CB GLU A 73 20.157 19.270 -29.379 1.00 0.00 C ATOM 1045 CG GLU A 73 21.228 20.043 -30.130 1.00 0.00 C ATOM 1046 CD GLU A 73 20.654 20.918 -31.227 1.00 0.00 C ATOM 1047 OE1 GLU A 73 19.818 20.417 -32.009 1.00 0.00 O ATOM 1048 OE2 GLU A 73 21.041 22.103 -31.305 1.00 0.00 O ATOM 0 H GLU A 73 20.554 19.510 -26.810 1.00 0.00 H new ATOM 0 HA GLU A 73 19.166 21.107 -28.862 1.00 0.00 H new ATOM 0 HB2 GLU A 73 20.628 18.458 -28.825 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.478 18.813 -30.099 1.00 0.00 H new ATOM 0 HG2 GLU A 73 21.782 20.665 -29.427 1.00 0.00 H new ATOM 0 HG3 GLU A 73 21.940 19.341 -30.565 1.00 0.00 H new ATOM 1055 N GLY A 74 17.674 19.327 -26.849 1.00 0.00 N ATOM 1056 CA GLY A 74 16.415 18.711 -26.473 1.00 0.00 C ATOM 1057 C GLY A 74 15.474 19.682 -25.786 1.00 0.00 C ATOM 1058 O GLY A 74 14.318 19.353 -25.524 1.00 0.00 O ATOM 0 H GLY A 74 18.257 19.624 -26.066 1.00 0.00 H new ATOM 0 HA2 GLY A 74 15.931 18.310 -27.363 1.00 0.00 H new ATOM 0 HA3 GLY A 74 16.611 17.869 -25.809 1.00 0.00 H new ATOM 1122 N HIS A 79 19.789 24.849 -21.072 1.00 0.00 N ATOM 1123 CA HIS A 79 20.479 24.107 -20.023 1.00 0.00 C ATOM 1124 C HIS A 79 21.099 22.833 -20.581 1.00 0.00 C ATOM 1125 O HIS A 79 20.397 21.958 -21.086 1.00 0.00 O ATOM 1126 CB HIS A 79 19.519 23.759 -18.885 1.00 0.00 C ATOM 1127 CG HIS A 79 18.449 24.781 -18.665 1.00 0.00 C ATOM 1128 ND1 HIS A 79 17.103 24.485 -18.720 1.00 0.00 N ATOM 1129 CD2 HIS A 79 18.529 26.104 -18.381 1.00 0.00 C ATOM 1130 CE1 HIS A 79 16.403 25.580 -18.481 1.00 0.00 C ATOM 1131 NE2 HIS A 79 17.244 26.574 -18.273 1.00 0.00 N ATOM 0 HA HIS A 79 21.273 24.743 -19.632 1.00 0.00 H new ATOM 0 HB2 HIS A 79 19.052 22.797 -19.097 1.00 0.00 H new ATOM 0 HB3 HIS A 79 20.090 23.640 -17.964 1.00 0.00 H new ATOM 0 HD2 HIS A 79 19.435 26.680 -18.262 1.00 0.00 H new ATOM 0 HE1 HIS A 79 15.325 25.649 -18.460 1.00 0.00 H new ATOM 0 HE2 HIS A 79 16.982 27.538 -18.065 1.00 0.00 H new ATOM 1140 N LEU A 80 22.420 22.734 -20.484 1.00 0.00 N ATOM 1141 CA LEU A 80 23.134 21.564 -20.979 1.00 0.00 C ATOM 1142 C LEU A 80 22.689 20.310 -20.237 1.00 0.00 C ATOM 1143 O LEU A 80 22.353 20.364 -19.054 1.00 0.00 O ATOM 1144 CB LEU A 80 24.645 21.755 -20.821 1.00 0.00 C ATOM 1145 CG LEU A 80 25.333 22.475 -21.982 1.00 0.00 C ATOM 1146 CD1 LEU A 80 24.844 23.911 -22.089 1.00 0.00 C ATOM 1147 CD2 LEU A 80 26.844 22.437 -21.806 1.00 0.00 C ATOM 0 H LEU A 80 23.017 23.449 -20.068 1.00 0.00 H new ATOM 0 HA LEU A 80 22.901 21.445 -22.037 1.00 0.00 H new ATOM 0 HB2 LEU A 80 24.831 22.316 -19.905 1.00 0.00 H new ATOM 0 HB3 LEU A 80 25.108 20.776 -20.695 1.00 0.00 H new ATOM 0 HG LEU A 80 25.078 21.959 -22.908 1.00 0.00 H new ATOM 0 HD11 LEU A 80 25.346 24.405 -22.921 1.00 0.00 H new ATOM 0 HD12 LEU A 80 23.767 23.917 -22.259 1.00 0.00 H new ATOM 0 HD13 LEU A 80 25.068 24.442 -21.163 1.00 0.00 H new ATOM 0 HD21 LEU A 80 27.320 22.953 -22.639 1.00 0.00 H new ATOM 0 HD22 LEU A 80 27.114 22.930 -20.872 1.00 0.00 H new ATOM 0 HD23 LEU A 80 27.181 21.401 -21.780 1.00 0.00 H new ATOM 1159 N TRP A 81 22.688 19.182 -20.937 1.00 0.00 N ATOM 1160 CA TRP A 81 22.279 17.918 -20.338 1.00 0.00 C ATOM 1161 C TRP A 81 22.984 16.741 -21.000 1.00 0.00 C ATOM 1162 O TRP A 81 23.614 16.886 -22.047 1.00 0.00 O ATOM 1163 CB TRP A 81 20.765 17.744 -20.451 1.00 0.00 C ATOM 1164 CG TRP A 81 20.275 17.745 -21.867 1.00 0.00 C ATOM 1165 CD1 TRP A 81 19.856 18.825 -22.588 1.00 0.00 C ATOM 1166 CD2 TRP A 81 20.154 16.611 -22.733 1.00 0.00 C ATOM 1167 NE1 TRP A 81 19.482 18.433 -23.851 1.00 0.00 N ATOM 1168 CE2 TRP A 81 19.656 17.078 -23.964 1.00 0.00 C ATOM 1169 CE3 TRP A 81 20.420 15.246 -22.590 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 19.418 16.229 -25.043 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.184 14.405 -23.661 1.00 0.00 C ATOM 1172 CH2 TRP A 81 19.689 14.899 -24.873 1.00 0.00 C ATOM 0 H TRP A 81 22.965 19.117 -21.917 1.00 0.00 H new ATOM 0 HA TRP A 81 22.562 17.940 -19.286 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.477 16.807 -19.974 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.272 18.546 -19.902 1.00 0.00 H new ATOM 0 HD1 TRP A 81 19.823 19.840 -22.220 1.00 0.00 H new ATOM 0 HE1 TRP A 81 19.132 19.050 -24.584 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.803 14.856 -21.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 19.034 16.607 -25.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.385 13.349 -23.561 1.00 0.00 H new ATOM 0 HH2 TRP A 81 19.517 14.216 -25.692 1.00 0.00 H new ATOM 1183 N CYS A 82 22.865 15.574 -20.379 1.00 0.00 N ATOM 1184 CA CYS A 82 23.480 14.359 -20.897 1.00 0.00 C ATOM 1185 C CYS A 82 22.598 13.147 -20.609 1.00 0.00 C ATOM 1186 O CYS A 82 21.669 13.222 -19.805 1.00 0.00 O ATOM 1187 CB CYS A 82 24.863 14.158 -20.278 1.00 0.00 C ATOM 1188 SG CYS A 82 24.832 13.456 -18.597 1.00 0.00 S ATOM 0 H CYS A 82 22.345 15.444 -19.511 1.00 0.00 H new ATOM 0 HA CYS A 82 23.588 14.463 -21.977 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.446 13.501 -20.924 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.379 15.118 -20.250 1.00 0.00 H new ATOM 1193 N SER A 83 22.892 12.034 -21.272 1.00 0.00 N ATOM 1194 CA SER A 83 22.121 10.810 -21.087 1.00 0.00 C ATOM 1195 C SER A 83 22.851 9.837 -20.170 1.00 0.00 C ATOM 1196 O SER A 83 23.974 9.433 -20.455 1.00 0.00 O ATOM 1197 CB SER A 83 21.851 10.148 -22.438 1.00 0.00 C ATOM 1198 OG SER A 83 23.041 9.613 -22.991 1.00 0.00 O ATOM 0 H SER A 83 23.657 11.954 -21.941 1.00 0.00 H new ATOM 0 HA SER A 83 21.172 11.075 -20.620 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.114 9.354 -22.317 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.423 10.878 -23.125 1.00 0.00 H new ATOM 0 HG SER A 83 23.165 9.961 -23.899 1.00 0.00 H new ATOM 1204 N THR A 84 22.205 9.460 -19.073 1.00 0.00 N ATOM 1205 CA THR A 84 22.797 8.532 -18.117 1.00 0.00 C ATOM 1206 C THR A 84 22.544 7.086 -18.531 1.00 0.00 C ATOM 1207 O THR A 84 22.803 6.156 -17.766 1.00 0.00 O ATOM 1208 CB THR A 84 22.235 8.752 -16.700 1.00 0.00 C ATOM 1209 OG1 THR A 84 20.933 8.165 -16.594 1.00 0.00 O ATOM 1210 CG2 THR A 84 22.155 10.235 -16.374 1.00 0.00 C ATOM 0 H THR A 84 21.270 9.783 -18.823 1.00 0.00 H new ATOM 0 HA THR A 84 23.870 8.725 -18.109 1.00 0.00 H new ATOM 0 HB THR A 84 22.908 8.275 -15.988 1.00 0.00 H new ATOM 0 HG1 THR A 84 20.262 8.873 -16.500 1.00 0.00 H new ATOM 0 HG21 THR A 84 21.755 10.365 -15.368 1.00 0.00 H new ATOM 0 HG22 THR A 84 23.151 10.674 -16.428 1.00 0.00 H new ATOM 0 HG23 THR A 84 21.501 10.730 -17.091 1.00 0.00 H new ATOM 1218 N THR A 85 22.035 6.904 -19.744 1.00 0.00 N ATOM 1219 CA THR A 85 21.743 5.574 -20.261 1.00 0.00 C ATOM 1220 C THR A 85 21.566 5.618 -21.779 1.00 0.00 C ATOM 1221 O THR A 85 21.284 6.672 -22.350 1.00 0.00 O ATOM 1222 CB THR A 85 20.481 4.985 -19.578 1.00 0.00 C ATOM 1223 OG1 THR A 85 20.866 4.204 -18.441 1.00 0.00 O ATOM 1224 CG2 THR A 85 19.660 4.119 -20.529 1.00 0.00 C ATOM 0 H THR A 85 21.816 7.663 -20.389 1.00 0.00 H new ATOM 0 HA THR A 85 22.587 4.923 -20.032 1.00 0.00 H new ATOM 0 HB THR A 85 19.858 5.824 -19.269 1.00 0.00 H new ATOM 0 HG1 THR A 85 21.599 4.652 -17.969 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.787 3.730 -20.005 1.00 0.00 H new ATOM 0 HG22 THR A 85 19.335 4.719 -21.379 1.00 0.00 H new ATOM 0 HG23 THR A 85 20.271 3.289 -20.884 1.00 0.00 H new ATOM 1232 N SER A 86 21.738 4.470 -22.428 1.00 0.00 N ATOM 1233 CA SER A 86 21.602 4.386 -23.877 1.00 0.00 C ATOM 1234 C SER A 86 20.266 4.962 -24.334 1.00 0.00 C ATOM 1235 O SER A 86 20.221 5.987 -25.015 1.00 0.00 O ATOM 1236 CB SER A 86 21.729 2.933 -24.341 1.00 0.00 C ATOM 1237 OG SER A 86 20.785 2.637 -25.357 1.00 0.00 O ATOM 0 H SER A 86 21.971 3.587 -21.974 1.00 0.00 H new ATOM 0 HA SER A 86 22.403 4.974 -24.325 1.00 0.00 H new ATOM 0 HB2 SER A 86 22.737 2.754 -24.714 1.00 0.00 H new ATOM 0 HB3 SER A 86 21.579 2.263 -23.494 1.00 0.00 H new ATOM 0 HG SER A 86 20.022 2.162 -24.966 1.00 0.00 H new ATOM 1243 N ASN A 87 19.181 4.298 -23.953 1.00 0.00 N ATOM 1244 CA ASN A 87 17.843 4.742 -24.322 1.00 0.00 C ATOM 1245 C ASN A 87 17.453 5.991 -23.539 1.00 0.00 C ATOM 1246 O ASN A 87 16.885 5.900 -22.451 1.00 0.00 O ATOM 1247 CB ASN A 87 16.827 3.628 -24.066 1.00 0.00 C ATOM 1248 CG ASN A 87 16.108 3.200 -25.329 1.00 0.00 C ATOM 1249 OD1 ASN A 87 16.043 3.947 -26.305 1.00 0.00 O ATOM 1250 ND2 ASN A 87 15.561 1.990 -25.315 1.00 0.00 N ATOM 0 H ASN A 87 19.202 3.449 -23.388 1.00 0.00 H new ATOM 0 HA ASN A 87 17.845 4.985 -25.384 1.00 0.00 H new ATOM 0 HB2 ASN A 87 17.337 2.768 -23.632 1.00 0.00 H new ATOM 0 HB3 ASN A 87 16.096 3.968 -23.333 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.062 1.646 -26.136 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.640 1.404 -24.484 1.00 0.00 H new ATOM 1257 N TYR A 88 17.760 7.157 -24.100 1.00 0.00 N ATOM 1258 CA TYR A 88 17.437 8.419 -23.451 1.00 0.00 C ATOM 1259 C TYR A 88 15.985 8.797 -23.702 1.00 0.00 C ATOM 1260 O TYR A 88 15.325 9.379 -22.842 1.00 0.00 O ATOM 1261 CB TYR A 88 18.358 9.531 -23.958 1.00 0.00 C ATOM 1262 CG TYR A 88 17.805 10.920 -23.728 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.314 11.292 -22.484 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.771 11.854 -24.755 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.805 12.557 -22.268 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.265 13.123 -24.546 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.782 13.469 -23.302 1.00 0.00 C ATOM 1268 OH TYR A 88 16.277 14.732 -23.091 1.00 0.00 O ATOM 0 H TYR A 88 18.231 7.252 -25.000 1.00 0.00 H new ATOM 0 HA TYR A 88 17.586 8.296 -22.378 1.00 0.00 H new ATOM 0 HB2 TYR A 88 19.325 9.446 -23.462 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.533 9.390 -25.024 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.330 10.580 -21.672 1.00 0.00 H new ATOM 0 HD2 TYR A 88 18.146 11.585 -25.732 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.427 12.831 -21.294 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.248 13.840 -25.353 1.00 0.00 H new ATOM 0 HH TYR A 88 16.335 15.250 -23.921 1.00 0.00 H new ATOM 1278 N GLU A 89 15.496 8.463 -24.888 1.00 0.00 N ATOM 1279 CA GLU A 89 14.123 8.770 -25.258 1.00 0.00 C ATOM 1280 C GLU A 89 13.170 7.680 -24.780 1.00 0.00 C ATOM 1281 O GLU A 89 12.024 7.607 -25.226 1.00 0.00 O ATOM 1282 CB GLU A 89 14.011 8.942 -26.774 1.00 0.00 C ATOM 1283 CG GLU A 89 14.556 10.269 -27.275 1.00 0.00 C ATOM 1284 CD GLU A 89 13.864 10.743 -28.538 1.00 0.00 C ATOM 1285 OE1 GLU A 89 12.649 11.026 -28.479 1.00 0.00 O ATOM 1286 OE2 GLU A 89 14.539 10.835 -29.586 1.00 0.00 O ATOM 0 H GLU A 89 16.030 7.979 -25.610 1.00 0.00 H new ATOM 0 HA GLU A 89 13.841 9.704 -24.772 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.547 8.130 -27.265 1.00 0.00 H new ATOM 0 HB3 GLU A 89 12.964 8.855 -27.065 1.00 0.00 H new ATOM 0 HG2 GLU A 89 14.440 11.023 -26.496 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.625 10.170 -27.466 1.00 0.00 H new ATOM 1293 N GLN A 90 13.646 6.836 -23.870 1.00 0.00 N ATOM 1294 CA GLN A 90 12.828 5.752 -23.335 1.00 0.00 C ATOM 1295 C GLN A 90 12.874 5.735 -21.812 1.00 0.00 C ATOM 1296 O GLN A 90 11.838 5.657 -21.150 1.00 0.00 O ATOM 1297 CB GLN A 90 13.299 4.407 -23.891 1.00 0.00 C ATOM 1298 CG GLN A 90 12.890 3.218 -23.036 1.00 0.00 C ATOM 1299 CD GLN A 90 11.396 2.966 -23.061 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.647 3.675 -23.735 1.00 0.00 O ATOM 1301 NE2 GLN A 90 10.953 1.955 -22.324 1.00 0.00 N ATOM 0 H GLN A 90 14.591 6.881 -23.488 1.00 0.00 H new ATOM 0 HA GLN A 90 11.797 5.922 -23.644 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.896 4.277 -24.895 1.00 0.00 H new ATOM 0 HB3 GLN A 90 14.385 4.421 -23.983 1.00 0.00 H new ATOM 0 HG2 GLN A 90 13.411 2.327 -23.387 1.00 0.00 H new ATOM 0 HG3 GLN A 90 13.208 3.389 -22.008 1.00 0.00 H new ATOM 0 HE21 GLN A 90 11.609 1.394 -21.781 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.956 1.739 -22.301 1.00 0.00 H new ATOM 1310 N ASP A 91 14.079 5.803 -21.263 1.00 0.00 N ATOM 1311 CA ASP A 91 14.262 5.790 -19.815 1.00 0.00 C ATOM 1312 C ASP A 91 14.103 7.192 -19.230 1.00 0.00 C ATOM 1313 O ASP A 91 13.656 7.352 -18.095 1.00 0.00 O ATOM 1314 CB ASP A 91 15.638 5.225 -19.463 1.00 0.00 C ATOM 1315 CG ASP A 91 15.673 3.710 -19.525 1.00 0.00 C ATOM 1316 OD1 ASP A 91 14.974 3.066 -18.716 1.00 0.00 O ATOM 1317 OD2 ASP A 91 16.399 3.169 -20.386 1.00 0.00 O ATOM 0 H ASP A 91 14.946 5.868 -21.797 1.00 0.00 H new ATOM 0 HA ASP A 91 13.493 5.151 -19.381 1.00 0.00 H new ATOM 0 HB2 ASP A 91 16.381 5.631 -20.149 1.00 0.00 H new ATOM 0 HB3 ASP A 91 15.917 5.552 -18.461 1.00 0.00 H new ATOM 1322 N GLN A 92 14.464 8.203 -20.014 1.00 0.00 N ATOM 1323 CA GLN A 92 14.352 9.589 -19.572 1.00 0.00 C ATOM 1324 C GLN A 92 15.180 9.839 -18.313 1.00 0.00 C ATOM 1325 O GLN A 92 14.693 10.423 -17.345 1.00 0.00 O ATOM 1326 CB GLN A 92 12.888 9.943 -19.311 1.00 0.00 C ATOM 1327 CG GLN A 92 12.394 11.135 -20.114 1.00 0.00 C ATOM 1328 CD GLN A 92 12.926 11.143 -21.534 1.00 0.00 C ATOM 1329 OE1 GLN A 92 12.387 10.473 -22.415 1.00 0.00 O ATOM 1330 NE2 GLN A 92 13.991 11.902 -21.762 1.00 0.00 N ATOM 0 H GLN A 92 14.836 8.089 -20.957 1.00 0.00 H new ATOM 0 HA GLN A 92 14.741 10.226 -20.367 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.267 9.078 -19.543 1.00 0.00 H new ATOM 0 HB3 GLN A 92 12.758 10.153 -18.249 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.304 11.125 -20.138 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.694 12.055 -19.613 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.405 12.441 -21.002 1.00 0.00 H new ATOM 0 HE22 GLN A 92 14.395 11.946 -22.698 1.00 0.00 H new ATOM 1339 N LYS A 93 16.433 9.399 -18.337 1.00 0.00 N ATOM 1340 CA LYS A 93 17.330 9.581 -17.199 1.00 0.00 C ATOM 1341 C LYS A 93 18.490 10.498 -17.570 1.00 0.00 C ATOM 1342 O LYS A 93 19.656 10.140 -17.403 1.00 0.00 O ATOM 1343 CB LYS A 93 17.865 8.232 -16.714 1.00 0.00 C ATOM 1344 CG LYS A 93 18.700 7.494 -17.749 1.00 0.00 C ATOM 1345 CD LYS A 93 17.822 6.864 -18.820 1.00 0.00 C ATOM 1346 CE LYS A 93 18.230 7.280 -20.229 1.00 0.00 C ATOM 1347 NZ LYS A 93 18.915 8.604 -20.261 1.00 0.00 N ATOM 0 H LYS A 93 16.852 8.914 -19.131 1.00 0.00 H new ATOM 0 HA LYS A 93 16.762 10.044 -16.392 1.00 0.00 H new ATOM 0 HB2 LYS A 93 18.469 8.391 -15.821 1.00 0.00 H new ATOM 0 HB3 LYS A 93 17.025 7.602 -16.423 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.403 8.186 -18.213 1.00 0.00 H new ATOM 0 HG3 LYS A 93 19.291 6.720 -17.258 1.00 0.00 H new ATOM 0 HD2 LYS A 93 17.874 5.779 -18.736 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.784 7.148 -18.647 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.891 6.523 -20.650 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.344 7.318 -20.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.989 8.933 -21.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 18.367 9.292 -19.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.868 8.512 -19.855 1.00 0.00 H new ATOM 1361 N TYR A 94 18.160 11.679 -18.081 1.00 0.00 N ATOM 1362 CA TYR A 94 19.173 12.647 -18.485 1.00 0.00 C ATOM 1363 C TYR A 94 19.709 13.418 -17.284 1.00 0.00 C ATOM 1364 O TYR A 94 19.126 13.388 -16.200 1.00 0.00 O ATOM 1365 CB TYR A 94 18.591 13.622 -19.509 1.00 0.00 C ATOM 1366 CG TYR A 94 17.709 14.688 -18.897 1.00 0.00 C ATOM 1367 CD1 TYR A 94 18.247 15.686 -18.094 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.338 14.695 -19.122 1.00 0.00 C ATOM 1369 CE1 TYR A 94 17.444 16.660 -17.533 1.00 0.00 C ATOM 1370 CE2 TYR A 94 15.528 15.666 -18.564 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.086 16.646 -17.771 1.00 0.00 C ATOM 1372 OH TYR A 94 15.284 17.615 -17.214 1.00 0.00 O ATOM 0 H TYR A 94 17.199 11.989 -18.225 1.00 0.00 H new ATOM 0 HA TYR A 94 20.000 12.099 -18.937 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.409 14.103 -20.046 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.013 13.062 -20.244 1.00 0.00 H new ATOM 0 HD1 TYR A 94 19.310 15.701 -17.905 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.898 13.929 -19.743 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.878 17.429 -16.911 1.00 0.00 H new ATOM 0 HE2 TYR A 94 14.464 15.657 -18.748 1.00 0.00 H new ATOM 0 HH TYR A 94 15.817 18.418 -17.035 1.00 0.00 H new ATOM 1382 N SER A 95 20.822 14.112 -17.490 1.00 0.00 N ATOM 1383 CA SER A 95 21.443 14.899 -16.433 1.00 0.00 C ATOM 1384 C SER A 95 21.986 16.211 -16.992 1.00 0.00 C ATOM 1385 O SER A 95 22.633 16.229 -18.039 1.00 0.00 O ATOM 1386 CB SER A 95 22.568 14.106 -15.768 1.00 0.00 C ATOM 1387 OG SER A 95 22.664 12.802 -16.315 1.00 0.00 O ATOM 0 H SER A 95 21.314 14.145 -18.383 1.00 0.00 H new ATOM 0 HA SER A 95 20.684 15.126 -15.684 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.514 14.630 -15.901 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.387 14.041 -14.695 1.00 0.00 H new ATOM 0 HG SER A 95 23.305 12.805 -17.056 1.00 0.00 H new ATOM 1393 N PHE A 96 21.714 17.305 -16.291 1.00 0.00 N ATOM 1394 CA PHE A 96 22.171 18.620 -16.722 1.00 0.00 C ATOM 1395 C PHE A 96 23.690 18.719 -16.660 1.00 0.00 C ATOM 1396 O PHE A 96 24.365 17.798 -16.201 1.00 0.00 O ATOM 1397 CB PHE A 96 21.539 19.711 -15.855 1.00 0.00 C ATOM 1398 CG PHE A 96 20.080 19.931 -16.143 1.00 0.00 C ATOM 1399 CD1 PHE A 96 19.633 20.065 -17.448 1.00 0.00 C ATOM 1400 CD2 PHE A 96 19.157 20.001 -15.111 1.00 0.00 C ATOM 1401 CE1 PHE A 96 18.292 20.266 -17.718 1.00 0.00 C ATOM 1402 CE2 PHE A 96 17.816 20.202 -15.376 1.00 0.00 C ATOM 1403 CZ PHE A 96 17.383 20.334 -16.681 1.00 0.00 C ATOM 0 H PHE A 96 21.180 17.308 -15.422 1.00 0.00 H new ATOM 0 HA PHE A 96 21.861 18.763 -17.757 1.00 0.00 H new ATOM 0 HB2 PHE A 96 21.658 19.445 -14.805 1.00 0.00 H new ATOM 0 HB3 PHE A 96 22.078 20.646 -16.010 1.00 0.00 H new ATOM 0 HD1 PHE A 96 20.340 20.012 -18.263 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.490 19.897 -14.089 1.00 0.00 H new ATOM 0 HE1 PHE A 96 17.956 20.370 -18.739 1.00 0.00 H new ATOM 0 HE2 PHE A 96 17.107 20.256 -14.563 1.00 0.00 H new ATOM 0 HZ PHE A 96 16.335 20.490 -16.890 1.00 0.00 H new ATOM 1413 N CYS A 97 24.224 19.842 -17.129 1.00 0.00 N ATOM 1414 CA CYS A 97 25.664 20.062 -17.129 1.00 0.00 C ATOM 1415 C CYS A 97 25.989 21.550 -17.075 1.00 0.00 C ATOM 1416 O CYS A 97 25.278 22.373 -17.652 1.00 0.00 O ATOM 1417 CB CYS A 97 26.298 19.434 -18.372 1.00 0.00 C ATOM 1418 SG CYS A 97 25.719 17.743 -18.726 1.00 0.00 S ATOM 0 H CYS A 97 23.680 20.614 -17.514 1.00 0.00 H new ATOM 0 HA CYS A 97 26.077 19.587 -16.239 1.00 0.00 H new ATOM 0 HB2 CYS A 97 26.087 20.067 -19.234 1.00 0.00 H new ATOM 0 HB3 CYS A 97 27.381 19.417 -18.246 1.00 0.00 H new ATOM 1423 N THR A 98 27.066 21.888 -16.374 1.00 0.00 N ATOM 1424 CA THR A 98 27.489 23.273 -16.237 1.00 0.00 C ATOM 1425 C THR A 98 28.086 23.802 -17.536 1.00 0.00 C ATOM 1426 O THR A 98 28.186 23.077 -18.526 1.00 0.00 O ATOM 1427 CB THR A 98 28.528 23.422 -15.112 1.00 0.00 C ATOM 1428 OG1 THR A 98 29.450 22.325 -15.152 1.00 0.00 O ATOM 1429 CG2 THR A 98 27.851 23.473 -13.751 1.00 0.00 C ATOM 0 H THR A 98 27.663 21.217 -15.891 1.00 0.00 H new ATOM 0 HA THR A 98 26.601 23.855 -15.991 1.00 0.00 H new ATOM 0 HB THR A 98 29.067 24.357 -15.265 1.00 0.00 H new ATOM 0 HG1 THR A 98 30.110 22.426 -14.435 1.00 0.00 H new ATOM 0 HG21 THR A 98 28.607 23.579 -12.973 1.00 0.00 H new ATOM 0 HG22 THR A 98 27.171 24.324 -13.715 1.00 0.00 H new ATOM 0 HG23 THR A 98 27.289 22.553 -13.589 1.00 0.00 H new