USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=28 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 83 SER OG : rot -157:sc= -1.48 USER MOD Set 1.2: A 93 LYS NZ :NH3+ -145:sc= -2.18 (180deg=-3.16!) USER MOD Set 2.1: A 88 TYR OH : rot 66:sc= 0.608 USER MOD Set 2.2: A 92 GLN : amide:sc= 0.481 K(o=1.1,f=0.57) USER MOD Set 3.1: A 87 ASN : amide:sc= -0.166 K(o=-3.4,f=-5.3!) USER MOD Set 3.2: A 90 GLN : amide:sc= -3.26! C(o=-3.4!,f=-12!) USER MOD Set 4.1: A 3 HIS : no HD1:sc= -1.74 K(o=-2.7,f=-3.4!) USER MOD Set 4.2: A 13 SER OG : rot -76:sc= -0.919 USER MOD Single : A 6 THR OG1 : rot 170:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot -110:sc= 1.15 USER MOD Single : A 16 MET CE :methyl 141:sc=-0.00872 (180deg=-0.762) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.119 K(o=-0.12,f=-0.97) USER MOD Single : A 27 MET CE :methyl -166:sc= -0.306 (180deg=-0.691) USER MOD Single : A 30 THR OG1 : rot 180:sc= -1.15! USER MOD Single : A 34 ASN : amide:sc= -2.49 K(o=-2.5,f=-3.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.466 X(o=-0.47,f=-0.075) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 THR OG1 : rot 82:sc= -0.256! USER MOD Single : A 47 TYR OH : rot -90:sc= 0.251 USER MOD Single : A 50 ASN : amide:sc= -2.42! C(o=-2.4!,f=-7.6!) USER MOD Single : A 51 SER OG : rot -130:sc= -2.06! USER MOD Single : A 52 ASN : amide:sc= -2.19! C(o=-2.2!,f=-3.9!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -159:sc= -0.169 USER MOD Single : A 63 ASN : amide:sc= -0.572 X(o=-0.57,f=-0.29) 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 76:sc= 0.111 USER MOD Single : A 71 THR OG1 : rot -174:sc= 0.221 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -0.543 X(o=-0.54,f=-0.41) USER MOD Single : A 84 THR OG1 : rot 140:sc= -6.67! USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 86:sc= 1.17 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 50.634 5.082 -38.154 1.00 0.00 N ATOM 32 CA HIS A 3 49.537 4.507 -37.386 1.00 0.00 C ATOM 33 C HIS A 3 49.643 4.892 -35.915 1.00 0.00 C ATOM 34 O HIS A 3 50.721 5.239 -35.430 1.00 0.00 O ATOM 35 CB HIS A 3 49.534 2.983 -37.526 1.00 0.00 C ATOM 36 CG HIS A 3 48.727 2.490 -38.686 1.00 0.00 C ATOM 37 ND1 HIS A 3 49.084 2.710 -39.999 1.00 0.00 N ATOM 38 CD2 HIS A 3 47.574 1.779 -38.725 1.00 0.00 C ATOM 39 CE1 HIS A 3 48.187 2.158 -40.796 1.00 0.00 C ATOM 40 NE2 HIS A 3 47.261 1.586 -40.048 1.00 0.00 N ATOM 0 HA HIS A 3 48.602 4.904 -37.781 1.00 0.00 H new ATOM 0 HB2 HIS A 3 50.561 2.634 -37.634 1.00 0.00 H new ATOM 0 HB3 HIS A 3 49.143 2.543 -36.609 1.00 0.00 H new ATOM 0 HD2 HIS A 3 47.007 1.430 -37.875 1.00 0.00 H new ATOM 0 HE1 HIS A 3 48.207 2.172 -41.876 1.00 0.00 H new ATOM 0 HE2 HIS A 3 46.445 1.082 -40.397 1.00 0.00 H new ATOM 49 N CYS A 4 48.519 4.830 -35.209 1.00 0.00 N ATOM 50 CA CYS A 4 48.487 5.171 -33.790 1.00 0.00 C ATOM 51 C CYS A 4 48.171 3.939 -32.947 1.00 0.00 C ATOM 52 O CYS A 4 47.520 3.007 -33.415 1.00 0.00 O ATOM 53 CB CYS A 4 47.451 6.268 -33.531 1.00 0.00 C ATOM 54 SG CYS A 4 46.198 6.428 -34.848 1.00 0.00 S ATOM 0 H CYS A 4 47.618 4.547 -35.595 1.00 0.00 H new ATOM 0 HA CYS A 4 49.471 5.542 -33.504 1.00 0.00 H new ATOM 0 HB2 CYS A 4 46.947 6.062 -32.587 1.00 0.00 H new ATOM 0 HB3 CYS A 4 47.967 7.221 -33.416 1.00 0.00 H new ATOM 59 N VAL A 5 48.642 3.937 -31.705 1.00 0.00 N ATOM 60 CA VAL A 5 48.410 2.813 -30.806 1.00 0.00 C ATOM 61 C VAL A 5 48.326 3.273 -29.355 1.00 0.00 C ATOM 62 O VAL A 5 49.156 4.057 -28.893 1.00 0.00 O ATOM 63 CB VAL A 5 49.523 1.756 -30.931 1.00 0.00 C ATOM 64 CG1 VAL A 5 48.983 0.369 -30.618 1.00 0.00 C ATOM 65 CG2 VAL A 5 50.143 1.795 -32.320 1.00 0.00 C ATOM 0 H VAL A 5 49.185 4.699 -31.299 1.00 0.00 H new ATOM 0 HA VAL A 5 47.459 2.368 -31.098 1.00 0.00 H new ATOM 0 HB VAL A 5 50.301 1.988 -30.204 1.00 0.00 H new ATOM 0 HG11 VAL A 5 49.785 -0.363 -30.712 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.593 0.352 -29.600 1.00 0.00 H new ATOM 0 HG13 VAL A 5 48.184 0.123 -31.317 1.00 0.00 H new ATOM 0 HG21 VAL A 5 50.927 1.041 -32.390 1.00 0.00 H new ATOM 0 HG22 VAL A 5 49.376 1.590 -33.067 1.00 0.00 H new ATOM 0 HG23 VAL A 5 50.571 2.781 -32.500 1.00 0.00 H new ATOM 75 N THR A 6 47.319 2.778 -28.642 1.00 0.00 N ATOM 76 CA THR A 6 47.129 3.136 -27.242 1.00 0.00 C ATOM 77 C THR A 6 48.280 2.620 -26.385 1.00 0.00 C ATOM 78 O THR A 6 48.689 3.267 -25.422 1.00 0.00 O ATOM 79 CB THR A 6 45.804 2.574 -26.693 1.00 0.00 C ATOM 80 OG1 THR A 6 45.873 1.146 -26.607 1.00 0.00 O ATOM 81 CG2 THR A 6 44.636 2.978 -27.583 1.00 0.00 C ATOM 0 H THR A 6 46.624 2.129 -29.010 1.00 0.00 H new ATOM 0 HA THR A 6 47.100 4.225 -27.194 1.00 0.00 H new ATOM 0 HB THR A 6 45.644 2.989 -25.698 1.00 0.00 H new ATOM 0 HG1 THR A 6 45.097 0.810 -26.111 1.00 0.00 H new ATOM 0 HG21 THR A 6 43.711 2.570 -27.176 1.00 0.00 H new ATOM 0 HG22 THR A 6 44.567 4.065 -27.622 1.00 0.00 H new ATOM 0 HG23 THR A 6 44.793 2.588 -28.589 1.00 0.00 H new ATOM 89 N ASP A 7 48.798 1.450 -26.747 1.00 0.00 N ATOM 90 CA ASP A 7 49.906 0.846 -26.014 1.00 0.00 C ATOM 91 C ASP A 7 50.267 -0.516 -26.596 1.00 0.00 C ATOM 92 O ASP A 7 51.436 -0.801 -26.859 1.00 0.00 O ATOM 93 CB ASP A 7 49.549 0.702 -24.534 1.00 0.00 C ATOM 94 CG ASP A 7 50.737 0.283 -23.691 1.00 0.00 C ATOM 95 OD1 ASP A 7 51.543 1.163 -23.321 1.00 0.00 O ATOM 96 OD2 ASP A 7 50.862 -0.925 -23.401 1.00 0.00 O ATOM 0 H ASP A 7 48.469 0.902 -27.542 1.00 0.00 H new ATOM 0 HA ASP A 7 50.771 1.502 -26.110 1.00 0.00 H new ATOM 0 HB2 ASP A 7 49.160 1.650 -24.163 1.00 0.00 H new ATOM 0 HB3 ASP A 7 48.752 -0.034 -24.425 1.00 0.00 H new ATOM 101 N SER A 8 49.256 -1.354 -26.794 1.00 0.00 N ATOM 102 CA SER A 8 49.463 -2.689 -27.345 1.00 0.00 C ATOM 103 C SER A 8 48.152 -3.467 -27.405 1.00 0.00 C ATOM 104 O SER A 8 47.988 -4.480 -26.725 1.00 0.00 O ATOM 105 CB SER A 8 50.485 -3.457 -26.503 1.00 0.00 C ATOM 106 OG SER A 8 50.893 -4.649 -27.154 1.00 0.00 O ATOM 0 H SER A 8 48.283 -1.133 -26.581 1.00 0.00 H new ATOM 0 HA SER A 8 49.844 -2.579 -28.360 1.00 0.00 H new ATOM 0 HB2 SER A 8 51.354 -2.826 -26.316 1.00 0.00 H new ATOM 0 HB3 SER A 8 50.052 -3.699 -25.532 1.00 0.00 H new ATOM 0 HG SER A 8 51.547 -5.119 -26.596 1.00 0.00 H new ATOM 112 N GLY A 9 47.220 -2.988 -28.223 1.00 0.00 N ATOM 113 CA GLY A 9 45.935 -3.652 -28.356 1.00 0.00 C ATOM 114 C GLY A 9 45.016 -2.948 -29.332 1.00 0.00 C ATOM 115 O GLY A 9 44.343 -3.590 -30.138 1.00 0.00 O ATOM 0 H GLY A 9 47.331 -2.152 -28.796 1.00 0.00 H new ATOM 0 HA2 GLY A 9 46.093 -4.679 -28.687 1.00 0.00 H new ATOM 0 HA3 GLY A 9 45.453 -3.702 -27.380 1.00 0.00 H new ATOM 119 N VAL A 10 44.988 -1.622 -29.259 1.00 0.00 N ATOM 120 CA VAL A 10 44.147 -0.824 -30.142 1.00 0.00 C ATOM 121 C VAL A 10 44.988 -0.089 -31.180 1.00 0.00 C ATOM 122 O VAL A 10 45.440 1.033 -30.947 1.00 0.00 O ATOM 123 CB VAL A 10 43.316 0.203 -29.349 1.00 0.00 C ATOM 124 CG1 VAL A 10 42.060 0.582 -30.117 1.00 0.00 C ATOM 125 CG2 VAL A 10 42.966 -0.344 -27.973 1.00 0.00 C ATOM 0 H VAL A 10 45.539 -1.077 -28.596 1.00 0.00 H new ATOM 0 HA VAL A 10 43.471 -1.514 -30.647 1.00 0.00 H new ATOM 0 HB VAL A 10 43.915 1.104 -29.215 1.00 0.00 H new ATOM 0 HG11 VAL A 10 41.486 1.308 -29.541 1.00 0.00 H new ATOM 0 HG12 VAL A 10 42.338 1.018 -31.076 1.00 0.00 H new ATOM 0 HG13 VAL A 10 41.454 -0.308 -30.285 1.00 0.00 H new ATOM 0 HG21 VAL A 10 42.379 0.394 -27.427 1.00 0.00 H new ATOM 0 HG22 VAL A 10 42.386 -1.260 -28.082 1.00 0.00 H new ATOM 0 HG23 VAL A 10 43.882 -0.558 -27.423 1.00 0.00 H new ATOM 135 N VAL A 11 45.199 -0.730 -32.325 1.00 0.00 N ATOM 136 CA VAL A 11 45.992 -0.141 -33.396 1.00 0.00 C ATOM 137 C VAL A 11 45.155 0.802 -34.255 1.00 0.00 C ATOM 138 O VAL A 11 44.331 0.363 -35.056 1.00 0.00 O ATOM 139 CB VAL A 11 46.610 -1.223 -34.300 1.00 0.00 C ATOM 140 CG1 VAL A 11 47.412 -0.586 -35.425 1.00 0.00 C ATOM 141 CG2 VAL A 11 47.481 -2.167 -33.484 1.00 0.00 C ATOM 0 H VAL A 11 44.831 -1.658 -32.534 1.00 0.00 H new ATOM 0 HA VAL A 11 46.791 0.424 -32.916 1.00 0.00 H new ATOM 0 HB VAL A 11 45.802 -1.803 -34.745 1.00 0.00 H new ATOM 0 HG11 VAL A 11 47.841 -1.367 -36.053 1.00 0.00 H new ATOM 0 HG12 VAL A 11 46.758 0.045 -36.026 1.00 0.00 H new ATOM 0 HG13 VAL A 11 48.213 0.021 -35.003 1.00 0.00 H new ATOM 0 HG21 VAL A 11 47.909 -2.925 -34.140 1.00 0.00 H new ATOM 0 HG22 VAL A 11 48.283 -1.603 -33.009 1.00 0.00 H new ATOM 0 HG23 VAL A 11 46.875 -2.650 -32.718 1.00 0.00 H new ATOM 151 N TYR A 12 45.382 2.099 -34.084 1.00 0.00 N ATOM 152 CA TYR A 12 44.661 3.112 -34.845 1.00 0.00 C ATOM 153 C TYR A 12 45.489 3.573 -36.041 1.00 0.00 C ATOM 154 O TYR A 12 46.529 2.991 -36.349 1.00 0.00 O ATOM 155 CB TYR A 12 44.329 4.309 -33.952 1.00 0.00 C ATOM 156 CG TYR A 12 43.258 4.031 -32.926 1.00 0.00 C ATOM 157 CD1 TYR A 12 41.922 3.943 -33.296 1.00 0.00 C ATOM 158 CD2 TYR A 12 43.583 3.858 -31.588 1.00 0.00 C ATOM 159 CE1 TYR A 12 40.939 3.690 -32.358 1.00 0.00 C ATOM 160 CE2 TYR A 12 42.607 3.604 -30.644 1.00 0.00 C ATOM 161 CZ TYR A 12 41.287 3.521 -31.034 1.00 0.00 C ATOM 162 OH TYR A 12 40.311 3.268 -30.097 1.00 0.00 O ATOM 0 H TYR A 12 46.062 2.475 -33.423 1.00 0.00 H new ATOM 0 HA TYR A 12 43.733 2.671 -35.209 1.00 0.00 H new ATOM 0 HB2 TYR A 12 45.236 4.628 -33.438 1.00 0.00 H new ATOM 0 HB3 TYR A 12 44.009 5.140 -34.580 1.00 0.00 H new ATOM 0 HD1 TYR A 12 41.647 4.074 -34.332 1.00 0.00 H new ATOM 0 HD2 TYR A 12 44.616 3.923 -31.280 1.00 0.00 H new ATOM 0 HE1 TYR A 12 39.904 3.625 -32.660 1.00 0.00 H new ATOM 0 HE2 TYR A 12 42.876 3.471 -29.607 1.00 0.00 H new ATOM 0 HH TYR A 12 40.206 4.049 -29.515 1.00 0.00 H new ATOM 172 N SER A 13 45.025 4.623 -36.709 1.00 0.00 N ATOM 173 CA SER A 13 45.726 5.165 -37.867 1.00 0.00 C ATOM 174 C SER A 13 45.811 6.685 -37.782 1.00 0.00 C ATOM 175 O SER A 13 44.922 7.332 -37.233 1.00 0.00 O ATOM 176 CB SER A 13 45.018 4.751 -39.157 1.00 0.00 C ATOM 177 OG SER A 13 45.404 3.447 -39.557 1.00 0.00 O ATOM 0 H SER A 13 44.165 5.116 -36.468 1.00 0.00 H new ATOM 0 HA SER A 13 46.738 4.761 -37.874 1.00 0.00 H new ATOM 0 HB2 SER A 13 43.939 4.785 -39.010 1.00 0.00 H new ATOM 0 HB3 SER A 13 45.254 5.462 -39.949 1.00 0.00 H new ATOM 0 HG SER A 13 46.300 3.478 -39.953 1.00 0.00 H new ATOM 183 N VAL A 14 46.889 7.246 -38.322 1.00 0.00 N ATOM 184 CA VAL A 14 47.093 8.690 -38.300 1.00 0.00 C ATOM 185 C VAL A 14 45.819 9.436 -38.681 1.00 0.00 C ATOM 186 O VAL A 14 45.606 9.767 -39.848 1.00 0.00 O ATOM 187 CB VAL A 14 48.227 9.113 -39.253 1.00 0.00 C ATOM 188 CG1 VAL A 14 48.048 8.466 -40.618 1.00 0.00 C ATOM 189 CG2 VAL A 14 48.283 10.627 -39.377 1.00 0.00 C ATOM 0 H VAL A 14 47.635 6.722 -38.780 1.00 0.00 H new ATOM 0 HA VAL A 14 47.370 8.951 -37.279 1.00 0.00 H new ATOM 0 HB VAL A 14 49.174 8.770 -38.836 1.00 0.00 H new ATOM 0 HG11 VAL A 14 48.859 8.777 -41.277 1.00 0.00 H new ATOM 0 HG12 VAL A 14 48.063 7.381 -40.511 1.00 0.00 H new ATOM 0 HG13 VAL A 14 47.094 8.776 -41.045 1.00 0.00 H new ATOM 0 HG21 VAL A 14 49.090 10.907 -40.054 1.00 0.00 H new ATOM 0 HG22 VAL A 14 47.335 10.995 -39.770 1.00 0.00 H new ATOM 0 HG23 VAL A 14 48.464 11.066 -38.396 1.00 0.00 H new ATOM 199 N GLY A 15 44.977 9.704 -37.689 1.00 0.00 N ATOM 200 CA GLY A 15 43.736 10.414 -37.936 1.00 0.00 C ATOM 201 C GLY A 15 42.511 9.579 -37.617 1.00 0.00 C ATOM 202 O GLY A 15 41.385 9.982 -37.906 1.00 0.00 O ATOM 0 H GLY A 15 45.133 9.441 -36.716 1.00 0.00 H new ATOM 0 HA2 GLY A 15 43.717 11.324 -37.336 1.00 0.00 H new ATOM 0 HA3 GLY A 15 43.699 10.721 -38.981 1.00 0.00 H new ATOM 206 N MET A 16 42.728 8.414 -37.015 1.00 0.00 N ATOM 207 CA MET A 16 41.630 7.527 -36.653 1.00 0.00 C ATOM 208 C MET A 16 41.239 7.728 -35.194 1.00 0.00 C ATOM 209 O MET A 16 41.084 6.766 -34.442 1.00 0.00 O ATOM 210 CB MET A 16 42.023 6.069 -36.896 1.00 0.00 C ATOM 211 CG MET A 16 41.018 5.299 -37.737 1.00 0.00 C ATOM 212 SD MET A 16 39.942 4.246 -36.744 1.00 0.00 S ATOM 213 CE MET A 16 40.965 2.785 -36.570 1.00 0.00 C ATOM 0 H MET A 16 43.653 8.063 -36.768 1.00 0.00 H new ATOM 0 HA MET A 16 40.772 7.769 -37.280 1.00 0.00 H new ATOM 0 HB2 MET A 16 42.994 6.041 -37.390 1.00 0.00 H new ATOM 0 HB3 MET A 16 42.139 5.568 -35.935 1.00 0.00 H new ATOM 0 HG2 MET A 16 40.409 6.003 -38.303 1.00 0.00 H new ATOM 0 HG3 MET A 16 41.552 4.685 -38.462 1.00 0.00 H new ATOM 0 HE1 MET A 16 40.858 2.384 -35.562 1.00 0.00 H new ATOM 0 HE2 MET A 16 40.652 2.033 -37.295 1.00 0.00 H new ATOM 0 HE3 MET A 16 42.008 3.048 -36.747 1.00 0.00 H new ATOM 223 N GLN A 17 41.088 8.990 -34.803 1.00 0.00 N ATOM 224 CA GLN A 17 40.722 9.332 -33.433 1.00 0.00 C ATOM 225 C GLN A 17 39.695 8.357 -32.873 1.00 0.00 C ATOM 226 O GLN A 17 39.081 7.585 -33.610 1.00 0.00 O ATOM 227 CB GLN A 17 40.171 10.758 -33.361 1.00 0.00 C ATOM 228 CG GLN A 17 39.509 11.228 -34.644 1.00 0.00 C ATOM 229 CD GLN A 17 38.069 11.653 -34.433 1.00 0.00 C ATOM 230 OE1 GLN A 17 37.274 10.920 -33.844 1.00 0.00 O ATOM 231 NE2 GLN A 17 37.725 12.841 -34.914 1.00 0.00 N ATOM 0 H GLN A 17 41.214 9.794 -35.418 1.00 0.00 H new ATOM 0 HA GLN A 17 41.626 9.266 -32.828 1.00 0.00 H new ATOM 0 HB2 GLN A 17 39.447 10.817 -32.548 1.00 0.00 H new ATOM 0 HB3 GLN A 17 40.985 11.439 -33.113 1.00 0.00 H new ATOM 0 HG2 GLN A 17 40.074 12.064 -35.056 1.00 0.00 H new ATOM 0 HG3 GLN A 17 39.543 10.426 -35.382 1.00 0.00 H new ATOM 0 HE21 GLN A 17 38.416 13.416 -35.396 1.00 0.00 H new ATOM 0 HE22 GLN A 17 36.769 13.179 -34.802 1.00 0.00 H new ATOM 240 N TRP A 18 39.517 8.403 -31.560 1.00 0.00 N ATOM 241 CA TRP A 18 38.571 7.531 -30.878 1.00 0.00 C ATOM 242 C TRP A 18 38.133 8.159 -29.557 1.00 0.00 C ATOM 243 O TRP A 18 38.286 9.362 -29.351 1.00 0.00 O ATOM 244 CB TRP A 18 39.212 6.164 -30.629 1.00 0.00 C ATOM 245 CG TRP A 18 40.456 6.247 -29.801 1.00 0.00 C ATOM 246 CD1 TRP A 18 40.576 5.978 -28.468 1.00 0.00 C ATOM 247 CD2 TRP A 18 41.759 6.634 -30.252 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.873 6.175 -28.063 1.00 0.00 N ATOM 249 CE2 TRP A 18 42.618 6.579 -29.140 1.00 0.00 C ATOM 250 CE3 TRP A 18 42.281 7.022 -31.490 1.00 0.00 C ATOM 251 CZ2 TRP A 18 43.970 6.899 -29.228 1.00 0.00 C ATOM 252 CZ3 TRP A 18 43.623 7.339 -31.576 1.00 0.00 C ATOM 253 CH2 TRP A 18 44.454 7.275 -30.452 1.00 0.00 C ATOM 0 H TRP A 18 40.020 9.040 -30.942 1.00 0.00 H new ATOM 0 HA TRP A 18 37.691 7.400 -31.508 1.00 0.00 H new ATOM 0 HB2 TRP A 18 38.492 5.516 -30.130 1.00 0.00 H new ATOM 0 HB3 TRP A 18 39.449 5.699 -31.586 1.00 0.00 H new ATOM 0 HD1 TRP A 18 39.769 5.657 -27.826 1.00 0.00 H new ATOM 0 HE1 TRP A 18 42.225 6.042 -27.115 1.00 0.00 H new ATOM 0 HE3 TRP A 18 41.647 7.073 -32.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 44.614 6.852 -28.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 44.037 7.641 -32.526 1.00 0.00 H new ATOM 0 HH2 TRP A 18 45.499 7.528 -30.552 1.00 0.00 H new ATOM 264 N LEU A 19 37.592 7.340 -28.663 1.00 0.00 N ATOM 265 CA LEU A 19 37.139 7.822 -27.365 1.00 0.00 C ATOM 266 C LEU A 19 37.457 6.806 -26.277 1.00 0.00 C ATOM 267 O LEU A 19 36.886 5.716 -26.242 1.00 0.00 O ATOM 268 CB LEU A 19 35.638 8.107 -27.400 1.00 0.00 C ATOM 269 CG LEU A 19 35.033 8.569 -26.074 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.076 10.086 -25.968 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.605 8.063 -25.937 1.00 0.00 C ATOM 0 H LEU A 19 37.457 6.340 -28.813 1.00 0.00 H new ATOM 0 HA LEU A 19 37.667 8.748 -27.138 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.447 8.870 -28.154 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.120 7.204 -27.722 1.00 0.00 H new ATOM 0 HG LEU A 19 35.625 8.152 -25.260 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.641 10.397 -25.018 1.00 0.00 H new ATOM 0 HD12 LEU A 19 36.110 10.425 -26.022 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.507 10.524 -26.788 1.00 0.00 H new ATOM 0 HD21 LEU A 19 33.189 8.401 -24.988 1.00 0.00 H new ATOM 0 HD22 LEU A 19 33.001 8.452 -26.757 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.601 6.973 -25.968 1.00 0.00 H new ATOM 283 N LYS A 20 38.381 7.168 -25.396 1.00 0.00 N ATOM 284 CA LYS A 20 38.787 6.283 -24.310 1.00 0.00 C ATOM 285 C LYS A 20 37.784 6.321 -23.162 1.00 0.00 C ATOM 286 O LYS A 20 37.249 7.376 -22.823 1.00 0.00 O ATOM 287 CB LYS A 20 40.174 6.675 -23.802 1.00 0.00 C ATOM 288 CG LYS A 20 40.884 5.559 -23.055 1.00 0.00 C ATOM 289 CD LYS A 20 40.953 4.290 -23.886 1.00 0.00 C ATOM 290 CE LYS A 20 39.987 3.234 -23.372 1.00 0.00 C ATOM 291 NZ LYS A 20 40.631 1.896 -23.270 1.00 0.00 N ATOM 0 H LYS A 20 38.863 8.067 -25.411 1.00 0.00 H new ATOM 0 HA LYS A 20 38.820 5.266 -24.700 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.788 6.983 -24.648 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.080 7.539 -23.144 1.00 0.00 H new ATOM 0 HG2 LYS A 20 41.893 5.879 -22.793 1.00 0.00 H new ATOM 0 HG3 LYS A 20 40.361 5.355 -22.120 1.00 0.00 H new ATOM 0 HD2 LYS A 20 40.721 4.522 -24.926 1.00 0.00 H new ATOM 0 HD3 LYS A 20 41.969 3.896 -23.866 1.00 0.00 H new ATOM 0 HE2 LYS A 20 39.611 3.532 -22.393 1.00 0.00 H new ATOM 0 HE3 LYS A 20 39.127 3.173 -24.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 39.940 1.204 -22.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 40.967 1.600 -24.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 41.436 1.947 -22.614 1.00 0.00 H new ATOM 379 N GLN A 26 34.841 9.113 -20.623 1.00 0.00 N ATOM 380 CA GLN A 26 36.045 9.440 -19.873 1.00 0.00 C ATOM 381 C GLN A 26 36.811 10.574 -20.546 1.00 0.00 C ATOM 382 O GLN A 26 37.072 11.610 -19.935 1.00 0.00 O ATOM 383 CB GLN A 26 36.930 8.194 -19.748 1.00 0.00 C ATOM 384 CG GLN A 26 38.425 8.481 -19.764 1.00 0.00 C ATOM 385 CD GLN A 26 39.230 7.418 -19.043 1.00 0.00 C ATOM 386 OE1 GLN A 26 38.800 6.886 -18.019 1.00 0.00 O ATOM 387 NE2 GLN A 26 40.406 7.105 -19.573 1.00 0.00 N ATOM 0 HA GLN A 26 35.758 9.774 -18.876 1.00 0.00 H new ATOM 0 HB2 GLN A 26 36.681 7.678 -18.821 1.00 0.00 H new ATOM 0 HB3 GLN A 26 36.694 7.512 -20.565 1.00 0.00 H new ATOM 0 HG2 GLN A 26 38.767 8.552 -20.797 1.00 0.00 H new ATOM 0 HG3 GLN A 26 38.610 9.449 -19.299 1.00 0.00 H new ATOM 0 HE21 GLN A 26 40.723 7.571 -20.423 1.00 0.00 H new ATOM 0 HE22 GLN A 26 40.993 6.398 -19.130 1.00 0.00 H new ATOM 396 N MET A 27 37.174 10.358 -21.802 1.00 0.00 N ATOM 397 CA MET A 27 37.921 11.346 -22.570 1.00 0.00 C ATOM 398 C MET A 27 38.069 10.897 -24.018 1.00 0.00 C ATOM 399 O MET A 27 38.213 9.706 -24.293 1.00 0.00 O ATOM 400 CB MET A 27 39.302 11.548 -21.950 1.00 0.00 C ATOM 401 CG MET A 27 39.308 12.526 -20.792 1.00 0.00 C ATOM 402 SD MET A 27 40.801 13.536 -20.744 1.00 0.00 S ATOM 403 CE MET A 27 42.063 12.285 -20.958 1.00 0.00 C ATOM 0 H MET A 27 36.962 9.502 -22.314 1.00 0.00 H new ATOM 0 HA MET A 27 37.373 12.288 -22.550 1.00 0.00 H new ATOM 0 HB2 MET A 27 39.681 10.586 -21.605 1.00 0.00 H new ATOM 0 HB3 MET A 27 39.988 11.903 -22.719 1.00 0.00 H new ATOM 0 HG2 MET A 27 38.436 13.176 -20.866 1.00 0.00 H new ATOM 0 HG3 MET A 27 39.216 11.975 -19.856 1.00 0.00 H new ATOM 0 HE1 MET A 27 43.037 12.704 -20.705 1.00 0.00 H new ATOM 0 HE2 MET A 27 41.851 11.439 -20.305 1.00 0.00 H new ATOM 0 HE3 MET A 27 42.071 11.950 -21.995 1.00 0.00 H new ATOM 413 N LEU A 28 38.041 11.850 -24.944 1.00 0.00 N ATOM 414 CA LEU A 28 38.181 11.524 -26.358 1.00 0.00 C ATOM 415 C LEU A 28 39.650 11.529 -26.769 1.00 0.00 C ATOM 416 O LEU A 28 40.349 12.528 -26.600 1.00 0.00 O ATOM 417 CB LEU A 28 37.392 12.505 -27.223 1.00 0.00 C ATOM 418 CG LEU A 28 37.462 12.227 -28.724 1.00 0.00 C ATOM 419 CD1 LEU A 28 36.308 11.340 -29.160 1.00 0.00 C ATOM 420 CD2 LEU A 28 37.457 13.529 -29.507 1.00 0.00 C ATOM 0 H LEU A 28 37.924 12.843 -24.744 1.00 0.00 H new ATOM 0 HA LEU A 28 37.778 10.523 -26.513 1.00 0.00 H new ATOM 0 HB2 LEU A 28 36.348 12.485 -26.911 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.762 13.513 -27.036 1.00 0.00 H new ATOM 0 HG LEU A 28 38.395 11.702 -28.931 1.00 0.00 H new ATOM 0 HD11 LEU A 28 36.377 11.154 -30.232 1.00 0.00 H new ATOM 0 HD12 LEU A 28 36.355 10.392 -28.624 1.00 0.00 H new ATOM 0 HD13 LEU A 28 35.363 11.836 -28.938 1.00 0.00 H new ATOM 0 HD21 LEU A 28 37.507 13.312 -30.574 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.541 14.080 -29.291 1.00 0.00 H new ATOM 0 HD23 LEU A 28 38.319 14.131 -29.218 1.00 0.00 H new ATOM 432 N CYS A 29 40.113 10.403 -27.302 1.00 0.00 N ATOM 433 CA CYS A 29 41.502 10.271 -27.729 1.00 0.00 C ATOM 434 C CYS A 29 41.634 10.419 -29.241 1.00 0.00 C ATOM 435 O CYS A 29 40.770 9.975 -29.996 1.00 0.00 O ATOM 436 CB CYS A 29 42.056 8.916 -27.289 1.00 0.00 C ATOM 437 SG CYS A 29 42.614 8.867 -25.555 1.00 0.00 S ATOM 0 H CYS A 29 39.546 9.568 -27.449 1.00 0.00 H new ATOM 0 HA CYS A 29 42.077 11.069 -27.259 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.287 8.157 -27.433 1.00 0.00 H new ATOM 0 HB3 CYS A 29 42.892 8.650 -27.936 1.00 0.00 H new ATOM 442 N THR A 30 42.726 11.041 -29.674 1.00 0.00 N ATOM 443 CA THR A 30 42.981 11.245 -31.097 1.00 0.00 C ATOM 444 C THR A 30 44.466 11.143 -31.408 1.00 0.00 C ATOM 445 O THR A 30 45.307 11.552 -30.607 1.00 0.00 O ATOM 446 CB THR A 30 42.485 12.622 -31.579 1.00 0.00 C ATOM 447 OG1 THR A 30 41.068 12.729 -31.392 1.00 0.00 O ATOM 448 CG2 THR A 30 42.826 12.835 -33.048 1.00 0.00 C ATOM 0 H THR A 30 43.450 11.413 -29.059 1.00 0.00 H new ATOM 0 HA THR A 30 42.433 10.461 -31.619 1.00 0.00 H new ATOM 0 HB THR A 30 42.986 13.390 -30.990 1.00 0.00 H new ATOM 0 HG1 THR A 30 40.763 13.608 -31.700 1.00 0.00 H new ATOM 0 HG21 THR A 30 42.466 13.813 -33.367 1.00 0.00 H new ATOM 0 HG22 THR A 30 43.907 12.784 -33.182 1.00 0.00 H new ATOM 0 HG23 THR A 30 42.349 12.060 -33.648 1.00 0.00 H new ATOM 456 N CYS A 31 44.787 10.612 -32.581 1.00 0.00 N ATOM 457 CA CYS A 31 46.177 10.483 -32.995 1.00 0.00 C ATOM 458 C CYS A 31 46.463 11.403 -34.173 1.00 0.00 C ATOM 459 O CYS A 31 46.015 11.159 -35.293 1.00 0.00 O ATOM 460 CB CYS A 31 46.514 9.035 -33.352 1.00 0.00 C ATOM 461 SG CYS A 31 45.387 8.266 -34.554 1.00 0.00 S ATOM 0 H CYS A 31 44.108 10.266 -33.259 1.00 0.00 H new ATOM 0 HA CYS A 31 46.810 10.777 -32.157 1.00 0.00 H new ATOM 0 HB2 CYS A 31 47.528 9.000 -33.751 1.00 0.00 H new ATOM 0 HB3 CYS A 31 46.510 8.440 -32.439 1.00 0.00 H new ATOM 466 N LEU A 32 47.201 12.470 -33.902 1.00 0.00 N ATOM 467 CA LEU A 32 47.543 13.449 -34.928 1.00 0.00 C ATOM 468 C LEU A 32 48.698 12.958 -35.799 1.00 0.00 C ATOM 469 O LEU A 32 48.488 12.221 -36.761 1.00 0.00 O ATOM 470 CB LEU A 32 47.901 14.794 -34.285 1.00 0.00 C ATOM 471 CG LEU A 32 48.445 14.707 -32.857 1.00 0.00 C ATOM 472 CD1 LEU A 32 49.479 15.793 -32.608 1.00 0.00 C ATOM 473 CD2 LEU A 32 47.310 14.805 -31.847 1.00 0.00 C ATOM 0 H LEU A 32 47.576 12.682 -32.977 1.00 0.00 H new ATOM 0 HA LEU A 32 46.670 13.582 -35.567 1.00 0.00 H new ATOM 0 HB2 LEU A 32 48.642 15.292 -34.910 1.00 0.00 H new ATOM 0 HB3 LEU A 32 47.012 15.425 -34.281 1.00 0.00 H new ATOM 0 HG LEU A 32 48.932 13.740 -32.735 1.00 0.00 H new ATOM 0 HD11 LEU A 32 49.852 15.713 -31.587 1.00 0.00 H new ATOM 0 HD12 LEU A 32 50.307 15.675 -33.307 1.00 0.00 H new ATOM 0 HD13 LEU A 32 49.020 16.772 -32.751 1.00 0.00 H new ATOM 0 HD21 LEU A 32 47.715 14.741 -30.837 1.00 0.00 H new ATOM 0 HD22 LEU A 32 46.793 15.757 -31.971 1.00 0.00 H new ATOM 0 HD23 LEU A 32 46.608 13.987 -32.008 1.00 0.00 H new ATOM 485 N GLY A 33 49.916 13.372 -35.461 1.00 0.00 N ATOM 486 CA GLY A 33 51.076 12.963 -36.234 1.00 0.00 C ATOM 487 C GLY A 33 52.303 12.717 -35.376 1.00 0.00 C ATOM 488 O GLY A 33 53.107 11.834 -35.671 1.00 0.00 O ATOM 0 H GLY A 33 50.120 13.981 -34.669 1.00 0.00 H new ATOM 0 HA2 GLY A 33 50.836 12.054 -36.785 1.00 0.00 H new ATOM 0 HA3 GLY A 33 51.304 13.732 -36.972 1.00 0.00 H new ATOM 492 N ASN A 34 52.447 13.498 -34.311 1.00 0.00 N ATOM 493 CA ASN A 34 53.587 13.351 -33.410 1.00 0.00 C ATOM 494 C ASN A 34 53.346 12.219 -32.419 1.00 0.00 C ATOM 495 O ASN A 34 54.280 11.535 -32.002 1.00 0.00 O ATOM 496 CB ASN A 34 53.876 14.655 -32.651 1.00 0.00 C ATOM 497 CG ASN A 34 52.927 15.782 -33.016 1.00 0.00 C ATOM 498 OD1 ASN A 34 52.735 16.090 -34.193 1.00 0.00 O ATOM 499 ND2 ASN A 34 52.329 16.404 -32.007 1.00 0.00 N ATOM 0 H ASN A 34 51.793 14.236 -34.050 1.00 0.00 H new ATOM 0 HA ASN A 34 54.457 13.112 -34.021 1.00 0.00 H new ATOM 0 HB2 ASN A 34 53.811 14.466 -31.579 1.00 0.00 H new ATOM 0 HB3 ASN A 34 54.899 14.969 -32.858 1.00 0.00 H new ATOM 0 HD21 ASN A 34 51.681 17.170 -32.192 1.00 0.00 H new ATOM 0 HD22 ASN A 34 52.517 16.116 -31.047 1.00 0.00 H new ATOM 506 N GLY A 35 52.085 12.025 -32.051 1.00 0.00 N ATOM 507 CA GLY A 35 51.740 10.972 -31.117 1.00 0.00 C ATOM 508 C GLY A 35 50.247 10.735 -31.036 1.00 0.00 C ATOM 509 O GLY A 35 49.589 10.513 -32.053 1.00 0.00 O ATOM 0 H GLY A 35 51.296 12.579 -32.383 1.00 0.00 H new ATOM 0 HA2 GLY A 35 52.235 10.048 -31.416 1.00 0.00 H new ATOM 0 HA3 GLY A 35 52.118 11.230 -30.128 1.00 0.00 H new ATOM 513 N VAL A 36 49.710 10.785 -29.824 1.00 0.00 N ATOM 514 CA VAL A 36 48.285 10.577 -29.606 1.00 0.00 C ATOM 515 C VAL A 36 47.795 11.404 -28.421 1.00 0.00 C ATOM 516 O VAL A 36 48.246 11.216 -27.291 1.00 0.00 O ATOM 517 CB VAL A 36 47.963 9.087 -29.364 1.00 0.00 C ATOM 518 CG1 VAL A 36 46.568 8.922 -28.782 1.00 0.00 C ATOM 519 CG2 VAL A 36 48.108 8.297 -30.656 1.00 0.00 C ATOM 0 H VAL A 36 50.243 10.969 -28.974 1.00 0.00 H new ATOM 0 HA VAL A 36 47.768 10.900 -30.509 1.00 0.00 H new ATOM 0 HB VAL A 36 48.676 8.695 -28.639 1.00 0.00 H new ATOM 0 HG11 VAL A 36 46.364 7.864 -28.620 1.00 0.00 H new ATOM 0 HG12 VAL A 36 46.505 9.453 -27.832 1.00 0.00 H new ATOM 0 HG13 VAL A 36 45.834 9.331 -29.476 1.00 0.00 H new ATOM 0 HG21 VAL A 36 47.878 7.248 -30.469 1.00 0.00 H new ATOM 0 HG22 VAL A 36 47.420 8.692 -31.403 1.00 0.00 H new ATOM 0 HG23 VAL A 36 49.131 8.384 -31.023 1.00 0.00 H new ATOM 529 N SER A 37 46.875 12.324 -28.690 1.00 0.00 N ATOM 530 CA SER A 37 46.329 13.186 -27.649 1.00 0.00 C ATOM 531 C SER A 37 44.821 12.998 -27.517 1.00 0.00 C ATOM 532 O SER A 37 44.138 12.666 -28.484 1.00 0.00 O ATOM 533 CB SER A 37 46.646 14.651 -27.953 1.00 0.00 C ATOM 534 OG SER A 37 46.338 15.482 -26.846 1.00 0.00 O ATOM 0 H SER A 37 46.492 12.492 -29.620 1.00 0.00 H new ATOM 0 HA SER A 37 46.794 12.908 -26.703 1.00 0.00 H new ATOM 0 HB2 SER A 37 47.702 14.753 -28.205 1.00 0.00 H new ATOM 0 HB3 SER A 37 46.077 14.976 -28.824 1.00 0.00 H new ATOM 0 HG SER A 37 46.552 16.413 -27.066 1.00 0.00 H new ATOM 540 N CYS A 38 44.313 13.216 -26.309 1.00 0.00 N ATOM 541 CA CYS A 38 42.887 13.076 -26.040 1.00 0.00 C ATOM 542 C CYS A 38 42.337 14.342 -25.395 1.00 0.00 C ATOM 543 O CYS A 38 43.061 15.322 -25.212 1.00 0.00 O ATOM 544 CB CYS A 38 42.638 11.872 -25.131 1.00 0.00 C ATOM 545 SG CYS A 38 43.810 10.499 -25.384 1.00 0.00 S ATOM 0 H CYS A 38 44.869 13.491 -25.499 1.00 0.00 H new ATOM 0 HA CYS A 38 42.371 12.917 -26.987 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.693 12.196 -24.092 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.625 11.507 -25.298 1.00 0.00 H new ATOM 550 N GLN A 39 41.054 14.320 -25.053 1.00 0.00 N ATOM 551 CA GLN A 39 40.413 15.472 -24.429 1.00 0.00 C ATOM 552 C GLN A 39 39.556 15.045 -23.243 1.00 0.00 C ATOM 553 O GLN A 39 39.267 13.861 -23.066 1.00 0.00 O ATOM 554 CB GLN A 39 39.553 16.218 -25.451 1.00 0.00 C ATOM 555 CG GLN A 39 40.116 16.181 -26.862 1.00 0.00 C ATOM 556 CD GLN A 39 41.199 17.219 -27.083 1.00 0.00 C ATOM 557 OE1 GLN A 39 42.278 16.909 -27.587 1.00 0.00 O ATOM 558 NE2 GLN A 39 40.913 18.460 -26.707 1.00 0.00 N ATOM 0 H GLN A 39 40.438 13.520 -25.197 1.00 0.00 H new ATOM 0 HA GLN A 39 41.196 16.138 -24.066 1.00 0.00 H new ATOM 0 HB2 GLN A 39 38.553 15.785 -25.456 1.00 0.00 H new ATOM 0 HB3 GLN A 39 39.449 17.257 -25.137 1.00 0.00 H new ATOM 0 HG2 GLN A 39 40.522 15.189 -27.062 1.00 0.00 H new ATOM 0 HG3 GLN A 39 39.309 16.345 -27.576 1.00 0.00 H new ATOM 0 HE21 GLN A 39 40.005 18.671 -26.293 1.00 0.00 H new ATOM 0 HE22 GLN A 39 41.601 19.202 -26.832 1.00 0.00 H new ATOM 636 N GLN A 45 31.084 23.925 -20.552 1.00 0.00 N ATOM 637 CA GLN A 45 30.270 24.632 -19.568 1.00 0.00 C ATOM 638 C GLN A 45 28.783 24.447 -19.848 1.00 0.00 C ATOM 639 O GLN A 45 27.998 24.180 -18.938 1.00 0.00 O ATOM 640 CB GLN A 45 30.616 26.123 -19.565 1.00 0.00 C ATOM 641 CG GLN A 45 31.951 26.442 -18.911 1.00 0.00 C ATOM 642 CD GLN A 45 31.918 27.733 -18.114 1.00 0.00 C ATOM 643 OE1 GLN A 45 31.763 28.819 -18.673 1.00 0.00 O ATOM 644 NE2 GLN A 45 32.066 27.619 -16.798 1.00 0.00 N ATOM 0 HA GLN A 45 30.490 24.210 -18.587 1.00 0.00 H new ATOM 0 HB2 GLN A 45 30.630 26.485 -20.593 1.00 0.00 H new ATOM 0 HB3 GLN A 45 29.828 26.668 -19.045 1.00 0.00 H new ATOM 0 HG2 GLN A 45 32.234 25.621 -18.253 1.00 0.00 H new ATOM 0 HG3 GLN A 45 32.720 26.514 -19.680 1.00 0.00 H new ATOM 0 HE21 GLN A 45 32.192 26.699 -16.377 1.00 0.00 H new ATOM 0 HE22 GLN A 45 32.054 28.452 -16.209 1.00 0.00 H new ATOM 653 N THR A 46 28.399 24.600 -21.112 1.00 0.00 N ATOM 654 CA THR A 46 27.004 24.459 -21.512 1.00 0.00 C ATOM 655 C THR A 46 26.149 25.558 -20.891 1.00 0.00 C ATOM 656 O THR A 46 26.355 25.943 -19.741 1.00 0.00 O ATOM 657 CB THR A 46 26.431 23.087 -21.109 1.00 0.00 C ATOM 658 OG1 THR A 46 27.398 22.350 -20.353 1.00 0.00 O ATOM 659 CG2 THR A 46 26.026 22.287 -22.338 1.00 0.00 C ATOM 0 H THR A 46 29.036 24.822 -21.877 1.00 0.00 H new ATOM 0 HA THR A 46 26.976 24.543 -22.598 1.00 0.00 H new ATOM 0 HB THR A 46 25.546 23.257 -20.496 1.00 0.00 H new ATOM 0 HG1 THR A 46 27.377 22.646 -19.419 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.624 21.322 -22.028 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.265 22.835 -22.894 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.898 22.130 -22.973 1.00 0.00 H new ATOM 667 N TYR A 47 25.193 26.063 -21.663 1.00 0.00 N ATOM 668 CA TYR A 47 24.312 27.124 -21.188 1.00 0.00 C ATOM 669 C TYR A 47 23.114 27.296 -22.118 1.00 0.00 C ATOM 670 O TYR A 47 22.990 26.596 -23.122 1.00 0.00 O ATOM 671 CB TYR A 47 25.084 28.440 -21.087 1.00 0.00 C ATOM 672 CG TYR A 47 25.810 28.814 -22.359 1.00 0.00 C ATOM 673 CD1 TYR A 47 25.113 29.011 -23.546 1.00 0.00 C ATOM 674 CD2 TYR A 47 27.191 28.966 -22.378 1.00 0.00 C ATOM 675 CE1 TYR A 47 25.771 29.348 -24.712 1.00 0.00 C ATOM 676 CE2 TYR A 47 27.856 29.304 -23.540 1.00 0.00 C ATOM 677 CZ TYR A 47 27.142 29.494 -24.704 1.00 0.00 C ATOM 678 OH TYR A 47 27.802 29.830 -25.865 1.00 0.00 O ATOM 0 H TYR A 47 25.008 25.756 -22.618 1.00 0.00 H new ATOM 0 HA TYR A 47 23.944 26.845 -20.201 1.00 0.00 H new ATOM 0 HB2 TYR A 47 24.391 29.239 -20.826 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.807 28.366 -20.274 1.00 0.00 H new ATOM 0 HD1 TYR A 47 24.039 28.898 -23.556 1.00 0.00 H new ATOM 0 HD2 TYR A 47 27.754 28.817 -21.468 1.00 0.00 H new ATOM 0 HE1 TYR A 47 25.215 29.496 -25.626 1.00 0.00 H new ATOM 0 HE2 TYR A 47 28.930 29.419 -23.537 1.00 0.00 H new ATOM 0 HH TYR A 47 28.054 29.014 -26.346 1.00 0.00 H new ATOM 688 N GLY A 48 22.240 28.238 -21.775 1.00 0.00 N ATOM 689 CA GLY A 48 21.062 28.497 -22.586 1.00 0.00 C ATOM 690 C GLY A 48 20.518 27.247 -23.248 1.00 0.00 C ATOM 691 O GLY A 48 20.328 26.221 -22.595 1.00 0.00 O ATOM 0 H GLY A 48 22.327 28.828 -20.948 1.00 0.00 H new ATOM 0 HA2 GLY A 48 20.286 28.938 -21.961 1.00 0.00 H new ATOM 0 HA3 GLY A 48 21.309 29.231 -23.353 1.00 0.00 H new ATOM 695 N GLY A 49 20.263 27.335 -24.550 1.00 0.00 N ATOM 696 CA GLY A 49 19.736 26.198 -25.281 1.00 0.00 C ATOM 697 C GLY A 49 18.294 25.900 -24.919 1.00 0.00 C ATOM 698 O GLY A 49 17.446 26.791 -24.944 1.00 0.00 O ATOM 0 H GLY A 49 20.412 28.174 -25.111 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.807 26.392 -26.351 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.349 25.321 -25.075 1.00 0.00 H new ATOM 702 N ASN A 50 18.018 24.646 -24.579 1.00 0.00 N ATOM 703 CA ASN A 50 16.670 24.238 -24.203 1.00 0.00 C ATOM 704 C ASN A 50 16.636 23.744 -22.761 1.00 0.00 C ATOM 705 O ASN A 50 15.564 23.558 -22.183 1.00 0.00 O ATOM 706 CB ASN A 50 16.159 23.144 -25.144 1.00 0.00 C ATOM 707 CG ASN A 50 14.733 22.736 -24.834 1.00 0.00 C ATOM 708 OD1 ASN A 50 14.414 21.548 -24.770 1.00 0.00 O ATOM 709 ND2 ASN A 50 13.865 23.721 -24.640 1.00 0.00 N ATOM 0 H ASN A 50 18.709 23.896 -24.556 1.00 0.00 H new ATOM 0 HA ASN A 50 16.018 25.108 -24.287 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.217 23.497 -26.173 1.00 0.00 H new ATOM 0 HB3 ASN A 50 16.808 22.272 -25.069 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.890 23.508 -24.428 1.00 0.00 H new ATOM 0 HD22 ASN A 50 14.173 24.692 -24.703 1.00 0.00 H new ATOM 716 N SER A 51 17.816 23.536 -22.184 1.00 0.00 N ATOM 717 CA SER A 51 17.921 23.065 -20.809 1.00 0.00 C ATOM 718 C SER A 51 18.819 23.984 -19.985 1.00 0.00 C ATOM 719 O SER A 51 19.247 23.629 -18.888 1.00 0.00 O ATOM 720 CB SER A 51 18.469 21.637 -20.778 1.00 0.00 C ATOM 721 OG SER A 51 17.449 20.708 -20.454 1.00 0.00 O ATOM 0 H SER A 51 18.712 23.686 -22.648 1.00 0.00 H new ATOM 0 HA SER A 51 16.923 23.074 -20.371 1.00 0.00 H new ATOM 0 HB2 SER A 51 18.898 21.387 -21.748 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.274 21.568 -20.046 1.00 0.00 H new ATOM 0 HG SER A 51 17.758 20.121 -19.732 1.00 0.00 H new ATOM 727 N ASN A 52 19.098 25.168 -20.523 1.00 0.00 N ATOM 728 CA ASN A 52 19.943 26.140 -19.837 1.00 0.00 C ATOM 729 C ASN A 52 21.362 25.603 -19.662 1.00 0.00 C ATOM 730 O ASN A 52 22.138 26.119 -18.858 1.00 0.00 O ATOM 731 CB ASN A 52 19.343 26.495 -18.475 1.00 0.00 C ATOM 732 CG ASN A 52 20.261 27.372 -17.646 1.00 0.00 C ATOM 733 OD1 ASN A 52 21.095 28.100 -18.183 1.00 0.00 O ATOM 734 ND2 ASN A 52 20.111 27.305 -16.327 1.00 0.00 N ATOM 0 H ASN A 52 18.751 25.477 -21.431 1.00 0.00 H new ATOM 0 HA ASN A 52 19.991 27.040 -20.450 1.00 0.00 H new ATOM 0 HB2 ASN A 52 18.392 27.008 -18.623 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.129 25.578 -17.926 1.00 0.00 H new ATOM 0 HD21 ASN A 52 20.701 27.871 -15.717 1.00 0.00 H new ATOM 0 HD22 ASN A 52 19.406 26.687 -15.925 1.00 0.00 H new ATOM 741 N GLY A 53 21.695 24.565 -20.422 1.00 0.00 N ATOM 742 CA GLY A 53 23.020 23.979 -20.334 1.00 0.00 C ATOM 743 C GLY A 53 23.100 22.881 -19.294 1.00 0.00 C ATOM 744 O GLY A 53 23.995 22.881 -18.448 1.00 0.00 O ATOM 0 H GLY A 53 21.072 24.120 -21.096 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.300 23.575 -21.307 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.743 24.758 -20.092 1.00 0.00 H new ATOM 748 N GLU A 54 22.162 21.942 -19.355 1.00 0.00 N ATOM 749 CA GLU A 54 22.129 20.832 -18.410 1.00 0.00 C ATOM 750 C GLU A 54 23.151 19.766 -18.787 1.00 0.00 C ATOM 751 O GLU A 54 23.714 19.787 -19.882 1.00 0.00 O ATOM 752 CB GLU A 54 20.730 20.217 -18.362 1.00 0.00 C ATOM 753 CG GLU A 54 19.760 20.976 -17.471 1.00 0.00 C ATOM 754 CD GLU A 54 19.211 20.121 -16.346 1.00 0.00 C ATOM 755 OE1 GLU A 54 19.162 18.884 -16.510 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.830 20.689 -15.301 1.00 0.00 O ATOM 0 H GLU A 54 21.415 21.927 -20.049 1.00 0.00 H new ATOM 0 HA GLU A 54 22.382 21.221 -17.424 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.325 20.177 -19.373 1.00 0.00 H new ATOM 0 HB3 GLU A 54 20.806 19.189 -18.008 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.264 21.845 -17.049 1.00 0.00 H new ATOM 0 HG3 GLU A 54 18.933 21.349 -18.075 1.00 0.00 H new ATOM 763 N PRO A 55 23.399 18.815 -17.877 1.00 0.00 N ATOM 764 CA PRO A 55 24.355 17.727 -18.105 1.00 0.00 C ATOM 765 C PRO A 55 24.048 16.948 -19.380 1.00 0.00 C ATOM 766 O PRO A 55 23.107 16.156 -19.423 1.00 0.00 O ATOM 767 CB PRO A 55 24.177 16.827 -16.880 1.00 0.00 C ATOM 768 CG PRO A 55 23.602 17.713 -15.830 1.00 0.00 C ATOM 769 CD PRO A 55 22.762 18.727 -16.554 1.00 0.00 C ATOM 0 HA PRO A 55 25.371 18.101 -18.231 1.00 0.00 H new ATOM 0 HB2 PRO A 55 23.513 15.991 -17.098 1.00 0.00 H new ATOM 0 HB3 PRO A 55 25.129 16.403 -16.560 1.00 0.00 H new ATOM 0 HG2 PRO A 55 23.000 17.141 -15.124 1.00 0.00 H new ATOM 0 HG3 PRO A 55 24.391 18.199 -15.256 1.00 0.00 H new ATOM 0 HD2 PRO A 55 21.722 18.408 -16.629 1.00 0.00 H new ATOM 0 HD3 PRO A 55 22.764 19.689 -16.042 1.00 0.00 H new ATOM 777 N CYS A 56 24.847 17.176 -20.417 1.00 0.00 N ATOM 778 CA CYS A 56 24.656 16.492 -21.689 1.00 0.00 C ATOM 779 C CYS A 56 24.471 14.992 -21.472 1.00 0.00 C ATOM 780 O CYS A 56 24.706 14.484 -20.376 1.00 0.00 O ATOM 781 CB CYS A 56 25.840 16.756 -22.620 1.00 0.00 C ATOM 782 SG CYS A 56 26.303 18.514 -22.745 1.00 0.00 S ATOM 0 H CYS A 56 25.631 17.828 -20.401 1.00 0.00 H new ATOM 0 HA CYS A 56 23.753 16.884 -22.157 1.00 0.00 H new ATOM 0 HB2 CYS A 56 26.701 16.188 -22.267 1.00 0.00 H new ATOM 0 HB3 CYS A 56 25.598 16.383 -23.615 1.00 0.00 H new ATOM 787 N VAL A 57 24.033 14.292 -22.514 1.00 0.00 N ATOM 788 CA VAL A 57 23.803 12.855 -22.421 1.00 0.00 C ATOM 789 C VAL A 57 24.416 12.105 -23.599 1.00 0.00 C ATOM 790 O VAL A 57 23.706 11.509 -24.408 1.00 0.00 O ATOM 791 CB VAL A 57 22.298 12.541 -22.364 1.00 0.00 C ATOM 792 CG1 VAL A 57 21.644 12.843 -23.703 1.00 0.00 C ATOM 793 CG2 VAL A 57 22.068 11.093 -21.961 1.00 0.00 C ATOM 0 H VAL A 57 23.831 14.695 -23.429 1.00 0.00 H new ATOM 0 HA VAL A 57 24.285 12.522 -21.502 1.00 0.00 H new ATOM 0 HB VAL A 57 21.838 13.178 -21.608 1.00 0.00 H new ATOM 0 HG11 VAL A 57 20.579 12.616 -23.647 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.778 13.898 -23.944 1.00 0.00 H new ATOM 0 HG13 VAL A 57 22.105 12.232 -24.479 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.998 10.891 -21.926 1.00 0.00 H new ATOM 0 HG22 VAL A 57 22.539 10.433 -22.690 1.00 0.00 H new ATOM 0 HG23 VAL A 57 22.503 10.916 -20.977 1.00 0.00 H new ATOM 803 N LEU A 58 25.739 12.130 -23.687 1.00 0.00 N ATOM 804 CA LEU A 58 26.438 11.444 -24.767 1.00 0.00 C ATOM 805 C LEU A 58 27.125 10.183 -24.253 1.00 0.00 C ATOM 806 O LEU A 58 27.348 10.030 -23.052 1.00 0.00 O ATOM 807 CB LEU A 58 27.467 12.368 -25.424 1.00 0.00 C ATOM 808 CG LEU A 58 27.886 13.584 -24.595 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.700 14.506 -24.357 1.00 0.00 C ATOM 810 CD2 LEU A 58 28.502 13.145 -23.275 1.00 0.00 C ATOM 0 H LEU A 58 26.348 12.615 -23.028 1.00 0.00 H new ATOM 0 HA LEU A 58 25.697 11.159 -25.514 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.358 11.784 -25.656 1.00 0.00 H new ATOM 0 HB3 LEU A 58 27.060 12.719 -26.372 1.00 0.00 H new ATOM 0 HG LEU A 58 28.639 14.138 -25.155 1.00 0.00 H new ATOM 0 HD11 LEU A 58 27.019 15.364 -23.766 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.309 14.850 -25.314 1.00 0.00 H new ATOM 0 HD13 LEU A 58 25.921 13.965 -23.820 1.00 0.00 H new ATOM 0 HD21 LEU A 58 28.794 14.024 -22.700 1.00 0.00 H new ATOM 0 HD22 LEU A 58 27.773 12.566 -22.708 1.00 0.00 H new ATOM 0 HD23 LEU A 58 29.381 12.531 -23.470 1.00 0.00 H new ATOM 822 N PRO A 59 27.466 9.261 -25.164 1.00 0.00 N ATOM 823 CA PRO A 59 27.207 9.428 -26.597 1.00 0.00 C ATOM 824 C PRO A 59 25.731 9.304 -26.954 1.00 0.00 C ATOM 825 O PRO A 59 25.086 8.308 -26.628 1.00 0.00 O ATOM 826 CB PRO A 59 27.990 8.281 -27.235 1.00 0.00 C ATOM 827 CG PRO A 59 28.079 7.241 -26.173 1.00 0.00 C ATOM 828 CD PRO A 59 28.136 7.983 -24.866 1.00 0.00 C ATOM 0 HA PRO A 59 27.501 10.420 -26.939 1.00 0.00 H new ATOM 0 HB2 PRO A 59 27.481 7.899 -28.120 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.980 8.607 -27.553 1.00 0.00 H new ATOM 0 HG2 PRO A 59 27.216 6.576 -26.206 1.00 0.00 H new ATOM 0 HG3 PRO A 59 28.965 6.621 -26.308 1.00 0.00 H new ATOM 0 HD2 PRO A 59 27.625 7.438 -24.073 1.00 0.00 H new ATOM 0 HD3 PRO A 59 29.164 8.136 -24.536 1.00 0.00 H new ATOM 836 N PHE A 60 25.208 10.308 -27.649 1.00 0.00 N ATOM 837 CA PHE A 60 23.813 10.291 -28.074 1.00 0.00 C ATOM 838 C PHE A 60 23.738 10.085 -29.581 1.00 0.00 C ATOM 839 O PHE A 60 24.762 10.067 -30.260 1.00 0.00 O ATOM 840 CB PHE A 60 23.104 11.587 -27.679 1.00 0.00 C ATOM 841 CG PHE A 60 23.890 12.827 -27.990 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.898 13.352 -29.272 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.619 13.468 -27.001 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.618 14.494 -29.562 1.00 0.00 C ATOM 845 CE2 PHE A 60 25.342 14.610 -27.287 1.00 0.00 C ATOM 846 CZ PHE A 60 25.342 15.124 -28.568 1.00 0.00 C ATOM 0 H PHE A 60 25.726 11.141 -27.929 1.00 0.00 H new ATOM 0 HA PHE A 60 23.307 9.466 -27.573 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.145 11.637 -28.195 1.00 0.00 H new ATOM 0 HB3 PHE A 60 22.890 11.562 -26.610 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.335 12.863 -30.053 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.622 13.071 -25.997 1.00 0.00 H new ATOM 0 HE1 PHE A 60 24.615 14.894 -30.565 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.907 15.101 -26.508 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.907 16.017 -28.793 1.00 0.00 H new ATOM 856 N THR A 61 22.528 9.926 -30.102 1.00 0.00 N ATOM 857 CA THR A 61 22.345 9.717 -31.533 1.00 0.00 C ATOM 858 C THR A 61 21.469 10.805 -32.140 1.00 0.00 C ATOM 859 O THR A 61 20.346 11.035 -31.691 1.00 0.00 O ATOM 860 CB THR A 61 21.716 8.342 -31.825 1.00 0.00 C ATOM 861 OG1 THR A 61 21.723 7.538 -30.639 1.00 0.00 O ATOM 862 CG2 THR A 61 22.473 7.625 -32.933 1.00 0.00 C ATOM 0 H THR A 61 21.664 9.938 -29.560 1.00 0.00 H new ATOM 0 HA THR A 61 23.335 9.758 -31.987 1.00 0.00 H new ATOM 0 HB THR A 61 20.688 8.499 -32.151 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.320 6.666 -30.833 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.010 6.656 -33.122 1.00 0.00 H new ATOM 0 HG22 THR A 61 22.442 8.225 -33.842 1.00 0.00 H new ATOM 0 HG23 THR A 61 23.510 7.479 -32.630 1.00 0.00 H new ATOM 870 N TYR A 62 21.990 11.470 -33.165 1.00 0.00 N ATOM 871 CA TYR A 62 21.252 12.532 -33.836 1.00 0.00 C ATOM 872 C TYR A 62 21.493 12.494 -35.341 1.00 0.00 C ATOM 873 O TYR A 62 22.635 12.482 -35.797 1.00 0.00 O ATOM 874 CB TYR A 62 21.658 13.900 -33.283 1.00 0.00 C ATOM 875 CG TYR A 62 21.097 15.059 -34.073 1.00 0.00 C ATOM 876 CD1 TYR A 62 19.729 15.184 -34.285 1.00 0.00 C ATOM 877 CD2 TYR A 62 21.935 16.027 -34.614 1.00 0.00 C ATOM 878 CE1 TYR A 62 19.213 16.239 -35.012 1.00 0.00 C ATOM 879 CE2 TYR A 62 21.426 17.086 -35.341 1.00 0.00 C ATOM 880 CZ TYR A 62 20.065 17.188 -35.537 1.00 0.00 C ATOM 881 OH TYR A 62 19.554 18.241 -36.262 1.00 0.00 O ATOM 0 H TYR A 62 22.918 11.293 -33.548 1.00 0.00 H new ATOM 0 HA TYR A 62 20.190 12.372 -33.647 1.00 0.00 H new ATOM 0 HB2 TYR A 62 21.323 13.979 -32.249 1.00 0.00 H new ATOM 0 HB3 TYR A 62 22.746 13.971 -33.272 1.00 0.00 H new ATOM 0 HD1 TYR A 62 19.058 14.444 -33.874 1.00 0.00 H new ATOM 0 HD2 TYR A 62 23.002 15.950 -34.464 1.00 0.00 H new ATOM 0 HE1 TYR A 62 18.148 16.320 -35.169 1.00 0.00 H new ATOM 0 HE2 TYR A 62 22.091 17.830 -35.754 1.00 0.00 H new ATOM 0 HH TYR A 62 20.257 18.619 -36.831 1.00 0.00 H new ATOM 891 N ASN A 63 20.408 12.478 -36.107 1.00 0.00 N ATOM 892 CA ASN A 63 20.502 12.442 -37.561 1.00 0.00 C ATOM 893 C ASN A 63 20.998 11.082 -38.046 1.00 0.00 C ATOM 894 O ASN A 63 21.212 10.881 -39.241 1.00 0.00 O ATOM 895 CB ASN A 63 21.438 13.545 -38.058 1.00 0.00 C ATOM 896 CG ASN A 63 21.063 14.043 -39.440 1.00 0.00 C ATOM 897 OD1 ASN A 63 21.341 13.390 -40.444 1.00 0.00 O ATOM 898 ND2 ASN A 63 20.428 15.208 -39.495 1.00 0.00 N ATOM 0 H ASN A 63 19.454 12.489 -35.746 1.00 0.00 H new ATOM 0 HA ASN A 63 19.504 12.608 -37.967 1.00 0.00 H new ATOM 0 HB2 ASN A 63 21.417 14.379 -37.356 1.00 0.00 H new ATOM 0 HB3 ASN A 63 22.461 13.169 -38.076 1.00 0.00 H new ATOM 0 HD21 ASN A 63 20.150 15.595 -40.397 1.00 0.00 H new ATOM 0 HD22 ASN A 63 20.218 15.715 -38.635 1.00 0.00 H new ATOM 905 N GLY A 64 21.177 10.152 -37.113 1.00 0.00 N ATOM 906 CA GLY A 64 21.644 8.825 -37.472 1.00 0.00 C ATOM 907 C GLY A 64 23.073 8.570 -37.033 1.00 0.00 C ATOM 908 O GLY A 64 23.570 7.449 -37.141 1.00 0.00 O ATOM 0 H GLY A 64 21.008 10.293 -36.117 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.990 8.079 -37.019 1.00 0.00 H new ATOM 0 HA3 GLY A 64 21.572 8.699 -38.552 1.00 0.00 H new ATOM 912 N ARG A 65 23.736 9.610 -36.539 1.00 0.00 N ATOM 913 CA ARG A 65 25.117 9.486 -36.084 1.00 0.00 C ATOM 914 C ARG A 65 25.194 9.534 -34.562 1.00 0.00 C ATOM 915 O ARG A 65 24.188 9.360 -33.875 1.00 0.00 O ATOM 916 CB ARG A 65 25.979 10.598 -36.686 1.00 0.00 C ATOM 917 CG ARG A 65 25.754 11.958 -36.048 1.00 0.00 C ATOM 918 CD ARG A 65 26.237 13.082 -36.951 1.00 0.00 C ATOM 919 NE ARG A 65 25.139 13.701 -37.687 1.00 0.00 N ATOM 920 CZ ARG A 65 25.313 14.548 -38.698 1.00 0.00 C ATOM 921 NH1 ARG A 65 26.536 14.871 -39.093 1.00 0.00 N ATOM 922 NH2 ARG A 65 24.262 15.071 -39.315 1.00 0.00 N ATOM 0 H ARG A 65 23.341 10.546 -36.443 1.00 0.00 H new ATOM 0 HA ARG A 65 25.498 8.521 -36.419 1.00 0.00 H new ATOM 0 HB2 ARG A 65 27.030 10.327 -36.583 1.00 0.00 H new ATOM 0 HB3 ARG A 65 25.772 10.669 -37.754 1.00 0.00 H new ATOM 0 HG2 ARG A 65 24.693 12.091 -35.835 1.00 0.00 H new ATOM 0 HG3 ARG A 65 26.279 12.005 -35.094 1.00 0.00 H new ATOM 0 HD2 ARG A 65 26.743 13.838 -36.350 1.00 0.00 H new ATOM 0 HD3 ARG A 65 26.971 12.691 -37.656 1.00 0.00 H new ATOM 0 HE ARG A 65 24.184 13.471 -37.411 1.00 0.00 H new ATOM 0 HH11 ARG A 65 27.347 14.470 -38.622 1.00 0.00 H new ATOM 0 HH12 ARG A 65 26.667 15.521 -39.868 1.00 0.00 H new ATOM 0 HH21 ARG A 65 23.319 14.824 -39.014 1.00 0.00 H new ATOM 0 HH22 ARG A 65 24.397 15.720 -40.090 1.00 0.00 H new ATOM 936 N THR A 66 26.394 9.771 -34.043 1.00 0.00 N ATOM 937 CA THR A 66 26.603 9.842 -32.601 1.00 0.00 C ATOM 938 C THR A 66 27.575 10.959 -32.242 1.00 0.00 C ATOM 939 O THR A 66 28.436 11.325 -33.042 1.00 0.00 O ATOM 940 CB THR A 66 27.136 8.509 -32.043 1.00 0.00 C ATOM 941 OG1 THR A 66 26.263 7.437 -32.418 1.00 0.00 O ATOM 942 CG2 THR A 66 27.256 8.560 -30.526 1.00 0.00 C ATOM 0 H THR A 66 27.237 9.917 -34.599 1.00 0.00 H new ATOM 0 HA THR A 66 25.633 10.051 -32.150 1.00 0.00 H new ATOM 0 HB THR A 66 28.127 8.339 -32.464 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.609 6.593 -32.061 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.634 7.606 -30.159 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.943 9.357 -30.242 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.276 8.754 -30.090 1.00 0.00 H new ATOM 950 N PHE A 67 27.432 11.500 -31.037 1.00 0.00 N ATOM 951 CA PHE A 67 28.300 12.579 -30.578 1.00 0.00 C ATOM 952 C PHE A 67 28.699 12.376 -29.119 1.00 0.00 C ATOM 953 O PHE A 67 27.879 11.983 -28.287 1.00 0.00 O ATOM 954 CB PHE A 67 27.604 13.929 -30.754 1.00 0.00 C ATOM 955 CG PHE A 67 26.841 14.042 -32.043 1.00 0.00 C ATOM 956 CD1 PHE A 67 25.771 13.202 -32.305 1.00 0.00 C ATOM 957 CD2 PHE A 67 27.196 14.986 -32.995 1.00 0.00 C ATOM 958 CE1 PHE A 67 25.070 13.299 -33.490 1.00 0.00 C ATOM 959 CE2 PHE A 67 26.498 15.087 -34.184 1.00 0.00 C ATOM 960 CZ PHE A 67 25.433 14.241 -34.432 1.00 0.00 C ATOM 0 H PHE A 67 26.725 11.210 -30.361 1.00 0.00 H new ATOM 0 HA PHE A 67 29.207 12.567 -31.183 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.920 14.089 -29.920 1.00 0.00 H new ATOM 0 HB3 PHE A 67 28.350 14.723 -30.711 1.00 0.00 H new ATOM 0 HD1 PHE A 67 25.482 12.462 -31.573 1.00 0.00 H new ATOM 0 HD2 PHE A 67 28.027 15.649 -32.805 1.00 0.00 H new ATOM 0 HE1 PHE A 67 24.237 12.638 -33.680 1.00 0.00 H new ATOM 0 HE2 PHE A 67 26.784 15.826 -34.918 1.00 0.00 H new ATOM 0 HZ PHE A 67 24.886 14.317 -35.360 1.00 0.00 H new ATOM 970 N TYR A 68 29.969 12.641 -28.823 1.00 0.00 N ATOM 971 CA TYR A 68 30.498 12.487 -27.473 1.00 0.00 C ATOM 972 C TYR A 68 30.441 13.798 -26.700 1.00 0.00 C ATOM 973 O TYR A 68 31.116 13.954 -25.681 1.00 0.00 O ATOM 974 CB TYR A 68 31.943 11.989 -27.538 1.00 0.00 C ATOM 975 CG TYR A 68 32.076 10.582 -28.075 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.020 9.688 -27.988 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.253 10.153 -28.668 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.132 8.400 -28.478 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.376 8.869 -29.163 1.00 0.00 C ATOM 980 CZ TYR A 68 32.312 7.995 -29.064 1.00 0.00 C ATOM 981 OH TYR A 68 32.430 6.715 -29.554 1.00 0.00 O ATOM 0 H TYR A 68 30.654 12.965 -29.506 1.00 0.00 H new ATOM 0 HA TYR A 68 29.879 11.758 -26.949 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.523 12.665 -28.166 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.378 12.030 -26.539 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.094 10.003 -27.530 1.00 0.00 H new ATOM 0 HD2 TYR A 68 34.088 10.834 -28.744 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.300 7.715 -28.402 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.299 8.551 -29.625 1.00 0.00 H new ATOM 0 HH TYR A 68 33.324 6.592 -29.935 1.00 0.00 H new ATOM 991 N SER A 69 29.638 14.741 -27.182 1.00 0.00 N ATOM 992 CA SER A 69 29.510 16.034 -26.520 1.00 0.00 C ATOM 993 C SER A 69 28.873 17.068 -27.441 1.00 0.00 C ATOM 994 O SER A 69 28.257 16.726 -28.450 1.00 0.00 O ATOM 995 CB SER A 69 30.882 16.525 -26.060 1.00 0.00 C ATOM 996 OG SER A 69 30.956 16.580 -24.646 1.00 0.00 O ATOM 0 H SER A 69 29.070 14.636 -28.023 1.00 0.00 H new ATOM 0 HA SER A 69 28.861 15.905 -25.654 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.657 15.860 -26.442 1.00 0.00 H new ATOM 0 HB3 SER A 69 31.076 17.513 -26.476 1.00 0.00 H new ATOM 0 HG SER A 69 31.065 15.674 -24.289 1.00 0.00 H new ATOM 1002 N CYS A 70 29.026 18.338 -27.080 1.00 0.00 N ATOM 1003 CA CYS A 70 28.469 19.430 -27.860 1.00 0.00 C ATOM 1004 C CYS A 70 28.718 19.226 -29.350 1.00 0.00 C ATOM 1005 O CYS A 70 29.650 18.525 -29.747 1.00 0.00 O ATOM 1006 CB CYS A 70 29.077 20.755 -27.406 1.00 0.00 C ATOM 1007 SG CYS A 70 28.936 21.067 -25.617 1.00 0.00 S ATOM 0 H CYS A 70 29.535 18.634 -26.247 1.00 0.00 H new ATOM 0 HA CYS A 70 27.392 19.450 -27.697 1.00 0.00 H new ATOM 0 HB2 CYS A 70 30.131 20.773 -27.685 1.00 0.00 H new ATOM 0 HB3 CYS A 70 28.591 21.568 -27.945 1.00 0.00 H new ATOM 1012 N THR A 71 27.877 19.848 -30.167 1.00 0.00 N ATOM 1013 CA THR A 71 27.994 19.748 -31.615 1.00 0.00 C ATOM 1014 C THR A 71 27.040 20.716 -32.304 1.00 0.00 C ATOM 1015 O THR A 71 25.984 21.050 -31.766 1.00 0.00 O ATOM 1016 CB THR A 71 27.695 18.320 -32.109 1.00 0.00 C ATOM 1017 OG1 THR A 71 28.105 18.179 -33.475 1.00 0.00 O ATOM 1018 CG2 THR A 71 26.211 18.004 -31.986 1.00 0.00 C ATOM 0 H THR A 71 27.102 20.430 -29.848 1.00 0.00 H new ATOM 0 HA THR A 71 29.023 20.003 -31.868 1.00 0.00 H new ATOM 0 HB THR A 71 28.253 17.620 -31.487 1.00 0.00 H new ATOM 0 HG1 THR A 71 27.820 17.304 -33.813 1.00 0.00 H new ATOM 0 HG21 THR A 71 26.024 16.990 -32.341 1.00 0.00 H new ATOM 0 HG22 THR A 71 25.907 18.085 -30.942 1.00 0.00 H new ATOM 0 HG23 THR A 71 25.638 18.710 -32.587 1.00 0.00 H new ATOM 1026 N THR A 72 27.414 21.162 -33.497 1.00 0.00 N ATOM 1027 CA THR A 72 26.587 22.087 -34.258 1.00 0.00 C ATOM 1028 C THR A 72 26.090 21.439 -35.545 1.00 0.00 C ATOM 1029 O THR A 72 26.540 21.780 -36.640 1.00 0.00 O ATOM 1030 CB THR A 72 27.355 23.377 -34.606 1.00 0.00 C ATOM 1031 OG1 THR A 72 28.764 23.123 -34.613 1.00 0.00 O ATOM 1032 CG2 THR A 72 27.040 24.479 -33.607 1.00 0.00 C ATOM 0 H THR A 72 28.285 20.897 -33.957 1.00 0.00 H new ATOM 0 HA THR A 72 25.735 22.344 -33.628 1.00 0.00 H new ATOM 0 HB THR A 72 27.041 23.704 -35.597 1.00 0.00 H new ATOM 0 HG1 THR A 72 29.244 23.948 -34.837 1.00 0.00 H new ATOM 0 HG21 THR A 72 27.593 25.380 -33.873 1.00 0.00 H new ATOM 0 HG22 THR A 72 25.971 24.691 -33.624 1.00 0.00 H new ATOM 0 HG23 THR A 72 27.330 24.157 -32.607 1.00 0.00 H new ATOM 1040 N GLU A 73 25.165 20.496 -35.404 1.00 0.00 N ATOM 1041 CA GLU A 73 24.608 19.790 -36.553 1.00 0.00 C ATOM 1042 C GLU A 73 23.098 19.989 -36.645 1.00 0.00 C ATOM 1043 O GLU A 73 22.418 19.304 -37.410 1.00 0.00 O ATOM 1044 CB GLU A 73 24.928 18.299 -36.456 1.00 0.00 C ATOM 1045 CG GLU A 73 26.339 17.948 -36.901 1.00 0.00 C ATOM 1046 CD GLU A 73 26.787 18.750 -38.107 1.00 0.00 C ATOM 1047 OE1 GLU A 73 25.955 18.979 -39.010 1.00 0.00 O ATOM 1048 OE2 GLU A 73 27.970 19.149 -38.149 1.00 0.00 O ATOM 0 H GLU A 73 24.784 20.202 -34.504 1.00 0.00 H new ATOM 0 HA GLU A 73 25.062 20.202 -37.454 1.00 0.00 H new ATOM 0 HB2 GLU A 73 24.790 17.973 -35.425 1.00 0.00 H new ATOM 0 HB3 GLU A 73 24.215 17.743 -37.065 1.00 0.00 H new ATOM 0 HG2 GLU A 73 27.030 18.123 -36.076 1.00 0.00 H new ATOM 0 HG3 GLU A 73 26.387 16.885 -37.138 1.00 0.00 H new ATOM 1055 N GLY A 74 22.579 20.929 -35.864 1.00 0.00 N ATOM 1056 CA GLY A 74 21.153 21.198 -35.878 1.00 0.00 C ATOM 1057 C GLY A 74 20.761 22.374 -35.002 1.00 0.00 C ATOM 1058 O GLY A 74 20.106 22.201 -33.974 1.00 0.00 O ATOM 0 H GLY A 74 23.119 21.509 -35.222 1.00 0.00 H new ATOM 0 HA2 GLY A 74 20.836 21.394 -36.902 1.00 0.00 H new ATOM 0 HA3 GLY A 74 20.618 20.309 -35.544 1.00 0.00 H new ATOM 1122 N HIS A 79 25.579 27.768 -32.565 1.00 0.00 N ATOM 1123 CA HIS A 79 26.039 27.583 -31.194 1.00 0.00 C ATOM 1124 C HIS A 79 26.078 26.104 -30.821 1.00 0.00 C ATOM 1125 O HIS A 79 25.085 25.391 -30.962 1.00 0.00 O ATOM 1126 CB HIS A 79 25.125 28.337 -30.227 1.00 0.00 C ATOM 1127 CG HIS A 79 24.544 29.591 -30.805 1.00 0.00 C ATOM 1128 ND1 HIS A 79 23.272 30.034 -30.514 1.00 0.00 N ATOM 1129 CD2 HIS A 79 25.069 30.498 -31.663 1.00 0.00 C ATOM 1130 CE1 HIS A 79 23.039 31.159 -31.167 1.00 0.00 C ATOM 1131 NE2 HIS A 79 24.113 31.462 -31.870 1.00 0.00 N ATOM 0 HA HIS A 79 27.051 27.981 -31.121 1.00 0.00 H new ATOM 0 HB2 HIS A 79 24.313 27.678 -29.920 1.00 0.00 H new ATOM 0 HB3 HIS A 79 25.689 28.588 -29.329 1.00 0.00 H new ATOM 0 HD1 HIS A 79 22.613 29.566 -29.892 1.00 0.00 H new ATOM 0 HD2 HIS A 79 26.055 30.469 -32.102 1.00 0.00 H new ATOM 0 HE1 HIS A 79 22.125 31.733 -31.131 1.00 0.00 H new ATOM 1140 N LEU A 80 27.232 25.653 -30.338 1.00 0.00 N ATOM 1141 CA LEU A 80 27.402 24.262 -29.934 1.00 0.00 C ATOM 1142 C LEU A 80 26.263 23.828 -29.017 1.00 0.00 C ATOM 1143 O LEU A 80 25.782 24.613 -28.200 1.00 0.00 O ATOM 1144 CB LEU A 80 28.741 24.082 -29.219 1.00 0.00 C ATOM 1145 CG LEU A 80 29.907 23.656 -30.112 1.00 0.00 C ATOM 1146 CD1 LEU A 80 30.102 24.650 -31.247 1.00 0.00 C ATOM 1147 CD2 LEU A 80 31.181 23.526 -29.293 1.00 0.00 C ATOM 0 H LEU A 80 28.063 26.231 -30.217 1.00 0.00 H new ATOM 0 HA LEU A 80 27.388 23.639 -30.828 1.00 0.00 H new ATOM 0 HB2 LEU A 80 29.003 25.021 -28.731 1.00 0.00 H new ATOM 0 HB3 LEU A 80 28.617 23.338 -28.432 1.00 0.00 H new ATOM 0 HG LEU A 80 29.673 22.683 -30.545 1.00 0.00 H new ATOM 0 HD11 LEU A 80 30.936 24.330 -31.872 1.00 0.00 H new ATOM 0 HD12 LEU A 80 29.195 24.697 -31.849 1.00 0.00 H new ATOM 0 HD13 LEU A 80 30.315 25.636 -30.834 1.00 0.00 H new ATOM 0 HD21 LEU A 80 32.002 23.222 -29.943 1.00 0.00 H new ATOM 0 HD22 LEU A 80 31.418 24.486 -28.834 1.00 0.00 H new ATOM 0 HD23 LEU A 80 31.038 22.777 -28.514 1.00 0.00 H new ATOM 1159 N TRP A 81 25.829 22.578 -29.155 1.00 0.00 N ATOM 1160 CA TRP A 81 24.740 22.063 -28.333 1.00 0.00 C ATOM 1161 C TRP A 81 24.894 20.567 -28.057 1.00 0.00 C ATOM 1162 O TRP A 81 25.640 19.869 -28.745 1.00 0.00 O ATOM 1163 CB TRP A 81 23.400 22.322 -29.021 1.00 0.00 C ATOM 1164 CG TRP A 81 23.250 21.587 -30.318 1.00 0.00 C ATOM 1165 CD1 TRP A 81 23.508 22.069 -31.571 1.00 0.00 C ATOM 1166 CD2 TRP A 81 22.811 20.234 -30.490 1.00 0.00 C ATOM 1167 NE1 TRP A 81 23.255 21.099 -32.508 1.00 0.00 N ATOM 1168 CE2 TRP A 81 22.826 19.965 -31.873 1.00 0.00 C ATOM 1169 CE3 TRP A 81 22.407 19.224 -29.613 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 22.453 18.727 -32.395 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 22.036 17.997 -30.133 1.00 0.00 C ATOM 1172 CH2 TRP A 81 22.062 17.758 -31.512 1.00 0.00 C ATOM 0 H TRP A 81 26.211 21.908 -29.823 1.00 0.00 H new ATOM 0 HA TRP A 81 24.774 22.586 -27.377 1.00 0.00 H new ATOM 0 HB2 TRP A 81 22.592 22.030 -28.350 1.00 0.00 H new ATOM 0 HB3 TRP A 81 23.293 23.391 -29.202 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.859 23.066 -31.791 1.00 0.00 H new ATOM 0 HE1 TRP A 81 23.368 21.206 -33.516 1.00 0.00 H new ATOM 0 HE3 TRP A 81 22.385 19.398 -28.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 22.472 18.540 -33.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 21.721 17.210 -29.464 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.767 16.789 -31.887 1.00 0.00 H new ATOM 1183 N CYS A 82 24.168 20.084 -27.048 1.00 0.00 N ATOM 1184 CA CYS A 82 24.199 18.672 -26.673 1.00 0.00 C ATOM 1185 C CYS A 82 22.824 18.217 -26.185 1.00 0.00 C ATOM 1186 O CYS A 82 21.909 19.029 -26.051 1.00 0.00 O ATOM 1187 CB CYS A 82 25.251 18.429 -25.588 1.00 0.00 C ATOM 1188 SG CYS A 82 24.919 19.287 -24.016 1.00 0.00 S ATOM 0 H CYS A 82 23.548 20.655 -26.473 1.00 0.00 H new ATOM 0 HA CYS A 82 24.466 18.089 -27.555 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.318 17.358 -25.397 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.224 18.747 -25.964 1.00 0.00 H new ATOM 1193 N SER A 83 22.676 16.920 -25.928 1.00 0.00 N ATOM 1194 CA SER A 83 21.399 16.377 -25.465 1.00 0.00 C ATOM 1195 C SER A 83 21.377 16.228 -23.947 1.00 0.00 C ATOM 1196 O SER A 83 22.381 15.868 -23.336 1.00 0.00 O ATOM 1197 CB SER A 83 21.128 15.022 -26.125 1.00 0.00 C ATOM 1198 OG SER A 83 20.086 14.331 -25.459 1.00 0.00 O ATOM 0 H SER A 83 23.418 16.228 -26.031 1.00 0.00 H new ATOM 0 HA SER A 83 20.616 17.080 -25.750 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.860 15.170 -27.171 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.036 14.419 -26.111 1.00 0.00 H new ATOM 0 HG SER A 83 20.166 13.370 -25.635 1.00 0.00 H new ATOM 1204 N THR A 84 20.224 16.507 -23.343 1.00 0.00 N ATOM 1205 CA THR A 84 20.079 16.403 -21.893 1.00 0.00 C ATOM 1206 C THR A 84 19.671 14.993 -21.470 1.00 0.00 C ATOM 1207 O THR A 84 19.864 14.604 -20.318 1.00 0.00 O ATOM 1208 CB THR A 84 19.046 17.409 -21.348 1.00 0.00 C ATOM 1209 OG1 THR A 84 17.724 16.879 -21.484 1.00 0.00 O ATOM 1210 CG2 THR A 84 19.143 18.740 -22.080 1.00 0.00 C ATOM 0 H THR A 84 19.380 16.805 -23.832 1.00 0.00 H new ATOM 0 HA THR A 84 21.057 16.635 -21.471 1.00 0.00 H new ATOM 0 HB THR A 84 19.262 17.578 -20.293 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.200 17.097 -20.685 1.00 0.00 H new ATOM 0 HG21 THR A 84 18.404 19.432 -21.677 1.00 0.00 H new ATOM 0 HG22 THR A 84 20.141 19.157 -21.946 1.00 0.00 H new ATOM 0 HG23 THR A 84 18.954 18.586 -23.142 1.00 0.00 H new ATOM 1218 N THR A 85 19.115 14.229 -22.405 1.00 0.00 N ATOM 1219 CA THR A 85 18.692 12.863 -22.118 1.00 0.00 C ATOM 1220 C THR A 85 19.023 11.929 -23.281 1.00 0.00 C ATOM 1221 O THR A 85 19.236 12.374 -24.409 1.00 0.00 O ATOM 1222 CB THR A 85 17.181 12.787 -21.795 1.00 0.00 C ATOM 1223 OG1 THR A 85 16.943 11.780 -20.805 1.00 0.00 O ATOM 1224 CG2 THR A 85 16.352 12.481 -23.037 1.00 0.00 C ATOM 0 H THR A 85 18.947 14.531 -23.365 1.00 0.00 H new ATOM 0 HA THR A 85 19.245 12.538 -21.237 1.00 0.00 H new ATOM 0 HB THR A 85 16.877 13.763 -21.416 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.985 11.739 -20.604 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.297 12.436 -22.768 1.00 0.00 H new ATOM 0 HG22 THR A 85 16.504 13.265 -23.778 1.00 0.00 H new ATOM 0 HG23 THR A 85 16.661 11.523 -23.454 1.00 0.00 H new ATOM 1232 N SER A 86 19.064 10.633 -22.995 1.00 0.00 N ATOM 1233 CA SER A 86 19.372 9.634 -24.010 1.00 0.00 C ATOM 1234 C SER A 86 18.472 9.791 -25.230 1.00 0.00 C ATOM 1235 O SER A 86 18.943 10.077 -26.330 1.00 0.00 O ATOM 1236 CB SER A 86 19.219 8.227 -23.430 1.00 0.00 C ATOM 1237 OG SER A 86 19.653 7.244 -24.354 1.00 0.00 O ATOM 0 H SER A 86 18.887 10.249 -22.067 1.00 0.00 H new ATOM 0 HA SER A 86 20.405 9.784 -24.325 1.00 0.00 H new ATOM 0 HB2 SER A 86 19.797 8.145 -22.509 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.176 8.050 -23.169 1.00 0.00 H new ATOM 0 HG SER A 86 19.547 6.354 -23.959 1.00 0.00 H new ATOM 1243 N ASN A 87 17.175 9.594 -25.027 1.00 0.00 N ATOM 1244 CA ASN A 87 16.206 9.706 -26.109 1.00 0.00 C ATOM 1245 C ASN A 87 15.897 11.165 -26.430 1.00 0.00 C ATOM 1246 O ASN A 87 14.928 11.729 -25.922 1.00 0.00 O ATOM 1247 CB ASN A 87 14.918 8.974 -25.733 1.00 0.00 C ATOM 1248 CG ASN A 87 14.544 7.903 -26.739 1.00 0.00 C ATOM 1249 OD1 ASN A 87 15.005 7.918 -27.881 1.00 0.00 O ATOM 1250 ND2 ASN A 87 13.702 6.966 -26.320 1.00 0.00 N ATOM 0 H ASN A 87 16.770 9.356 -24.122 1.00 0.00 H new ATOM 0 HA ASN A 87 16.640 9.248 -26.998 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.036 8.519 -24.750 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.104 9.695 -25.655 1.00 0.00 H new ATOM 0 HD21 ASN A 87 13.413 6.220 -26.953 1.00 0.00 H new ATOM 0 HD22 ASN A 87 13.344 6.992 -25.365 1.00 0.00 H new ATOM 1257 N TYR A 88 16.721 11.771 -27.281 1.00 0.00 N ATOM 1258 CA TYR A 88 16.525 13.162 -27.670 1.00 0.00 C ATOM 1259 C TYR A 88 15.447 13.272 -28.744 1.00 0.00 C ATOM 1260 O TYR A 88 14.771 14.294 -28.857 1.00 0.00 O ATOM 1261 CB TYR A 88 17.834 13.764 -28.183 1.00 0.00 C ATOM 1262 CG TYR A 88 17.643 15.020 -29.005 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.331 14.948 -30.357 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.777 16.278 -28.430 1.00 0.00 C ATOM 1265 CE1 TYR A 88 17.158 16.093 -31.112 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.606 17.427 -29.177 1.00 0.00 C ATOM 1267 CZ TYR A 88 17.297 17.330 -30.517 1.00 0.00 C ATOM 1268 OH TYR A 88 17.126 18.472 -31.266 1.00 0.00 O ATOM 0 H TYR A 88 17.528 11.321 -27.713 1.00 0.00 H new ATOM 0 HA TYR A 88 16.202 13.718 -26.790 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.477 13.991 -27.333 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.354 13.020 -28.787 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.222 13.981 -30.826 1.00 0.00 H new ATOM 0 HD2 TYR A 88 18.019 16.359 -27.381 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.915 16.020 -32.162 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.714 18.397 -28.714 1.00 0.00 H new ATOM 0 HH TYR A 88 16.194 18.531 -31.564 1.00 0.00 H new ATOM 1278 N GLU A 89 15.295 12.210 -29.528 1.00 0.00 N ATOM 1279 CA GLU A 89 14.300 12.183 -30.594 1.00 0.00 C ATOM 1280 C GLU A 89 12.891 12.099 -30.017 1.00 0.00 C ATOM 1281 O GLU A 89 11.911 12.394 -30.702 1.00 0.00 O ATOM 1282 CB GLU A 89 14.553 10.999 -31.529 1.00 0.00 C ATOM 1283 CG GLU A 89 15.629 11.265 -32.571 1.00 0.00 C ATOM 1284 CD GLU A 89 15.067 11.851 -33.852 1.00 0.00 C ATOM 1285 OE1 GLU A 89 14.578 12.999 -33.817 1.00 0.00 O ATOM 1286 OE2 GLU A 89 15.118 11.159 -34.891 1.00 0.00 O ATOM 0 H GLU A 89 15.848 11.357 -29.445 1.00 0.00 H new ATOM 0 HA GLU A 89 14.387 13.109 -31.163 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.841 10.132 -30.934 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.623 10.742 -32.036 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.370 11.949 -32.157 1.00 0.00 H new ATOM 0 HG3 GLU A 89 16.148 10.334 -32.799 1.00 0.00 H new ATOM 1293 N GLN A 90 12.795 11.695 -28.754 1.00 0.00 N ATOM 1294 CA GLN A 90 11.505 11.574 -28.086 1.00 0.00 C ATOM 1295 C GLN A 90 11.205 12.822 -27.260 1.00 0.00 C ATOM 1296 O GLN A 90 10.129 13.410 -27.370 1.00 0.00 O ATOM 1297 CB GLN A 90 11.478 10.321 -27.200 1.00 0.00 C ATOM 1298 CG GLN A 90 11.773 10.588 -25.731 1.00 0.00 C ATOM 1299 CD GLN A 90 11.668 9.338 -24.879 1.00 0.00 C ATOM 1300 OE1 GLN A 90 12.669 8.834 -24.370 1.00 0.00 O ATOM 1301 NE2 GLN A 90 10.451 8.834 -24.718 1.00 0.00 N ATOM 0 H GLN A 90 13.596 11.446 -28.173 1.00 0.00 H new ATOM 0 HA GLN A 90 10.731 11.477 -28.848 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.497 9.853 -27.283 1.00 0.00 H new ATOM 0 HB3 GLN A 90 12.206 9.605 -27.581 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.775 11.005 -25.635 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.078 11.339 -25.355 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.650 9.285 -25.159 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.317 7.995 -24.153 1.00 0.00 H new ATOM 1310 N ASP A 91 12.167 13.217 -26.437 1.00 0.00 N ATOM 1311 CA ASP A 91 12.018 14.393 -25.588 1.00 0.00 C ATOM 1312 C ASP A 91 12.244 15.671 -26.390 1.00 0.00 C ATOM 1313 O ASP A 91 11.448 16.607 -26.324 1.00 0.00 O ATOM 1314 CB ASP A 91 13.000 14.331 -24.417 1.00 0.00 C ATOM 1315 CG ASP A 91 12.426 13.603 -23.218 1.00 0.00 C ATOM 1316 OD1 ASP A 91 11.190 13.428 -23.165 1.00 0.00 O ATOM 1317 OD2 ASP A 91 13.212 13.206 -22.332 1.00 0.00 O ATOM 0 H ASP A 91 13.062 12.739 -26.339 1.00 0.00 H new ATOM 0 HA ASP A 91 11.000 14.404 -25.198 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.914 13.831 -24.739 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.277 15.344 -24.125 1.00 0.00 H new ATOM 1322 N GLN A 92 13.334 15.696 -27.148 1.00 0.00 N ATOM 1323 CA GLN A 92 13.669 16.854 -27.969 1.00 0.00 C ATOM 1324 C GLN A 92 14.106 18.033 -27.105 1.00 0.00 C ATOM 1325 O GLN A 92 13.665 19.164 -27.311 1.00 0.00 O ATOM 1326 CB GLN A 92 12.475 17.254 -28.838 1.00 0.00 C ATOM 1327 CG GLN A 92 12.820 18.273 -29.913 1.00 0.00 C ATOM 1328 CD GLN A 92 13.248 17.625 -31.215 1.00 0.00 C ATOM 1329 OE1 GLN A 92 14.422 17.660 -31.582 1.00 0.00 O ATOM 1330 NE2 GLN A 92 12.295 17.029 -31.922 1.00 0.00 N ATOM 0 H GLN A 92 14.001 14.927 -27.211 1.00 0.00 H new ATOM 0 HA GLN A 92 14.502 16.577 -28.615 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.066 16.362 -29.312 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.692 17.663 -28.199 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.955 18.910 -30.096 1.00 0.00 H new ATOM 0 HG3 GLN A 92 13.621 18.919 -29.553 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.334 17.024 -31.580 1.00 0.00 H new ATOM 0 HE22 GLN A 92 12.524 16.576 -32.807 1.00 0.00 H new ATOM 1339 N LYS A 93 14.987 17.763 -26.150 1.00 0.00 N ATOM 1340 CA LYS A 93 15.503 18.803 -25.266 1.00 0.00 C ATOM 1341 C LYS A 93 17.027 18.784 -25.268 1.00 0.00 C ATOM 1342 O LYS A 93 17.655 17.780 -24.924 1.00 0.00 O ATOM 1343 CB LYS A 93 14.960 18.640 -23.842 1.00 0.00 C ATOM 1344 CG LYS A 93 15.764 17.683 -22.981 1.00 0.00 C ATOM 1345 CD LYS A 93 15.592 16.252 -23.450 1.00 0.00 C ATOM 1346 CE LYS A 93 16.930 15.584 -23.711 1.00 0.00 C ATOM 1347 NZ LYS A 93 17.068 15.147 -25.128 1.00 0.00 N ATOM 0 H LYS A 93 15.360 16.832 -25.967 1.00 0.00 H new ATOM 0 HA LYS A 93 15.164 19.769 -25.640 1.00 0.00 H new ATOM 0 HB2 LYS A 93 14.938 19.617 -23.358 1.00 0.00 H new ATOM 0 HB3 LYS A 93 13.930 18.287 -23.895 1.00 0.00 H new ATOM 0 HG2 LYS A 93 16.819 17.956 -23.016 1.00 0.00 H new ATOM 0 HG3 LYS A 93 15.446 17.769 -21.942 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.043 15.686 -22.698 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.993 16.237 -24.361 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.735 16.276 -23.465 1.00 0.00 H new ATOM 0 HE3 LYS A 93 17.039 14.722 -23.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 17.610 14.260 -25.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.124 14.994 -25.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 17.566 15.881 -25.671 1.00 0.00 H new ATOM 1361 N TYR A 94 17.613 19.892 -25.687 1.00 0.00 N ATOM 1362 CA TYR A 94 19.062 20.008 -25.769 1.00 0.00 C ATOM 1363 C TYR A 94 19.570 21.251 -25.047 1.00 0.00 C ATOM 1364 O TYR A 94 18.792 22.038 -24.509 1.00 0.00 O ATOM 1365 CB TYR A 94 19.488 20.054 -27.238 1.00 0.00 C ATOM 1366 CG TYR A 94 19.031 21.302 -27.960 1.00 0.00 C ATOM 1367 CD1 TYR A 94 19.747 22.488 -27.855 1.00 0.00 C ATOM 1368 CD2 TYR A 94 17.884 21.294 -28.743 1.00 0.00 C ATOM 1369 CE1 TYR A 94 19.332 23.632 -28.513 1.00 0.00 C ATOM 1370 CE2 TYR A 94 17.463 22.432 -29.403 1.00 0.00 C ATOM 1371 CZ TYR A 94 18.190 23.598 -29.285 1.00 0.00 C ATOM 1372 OH TYR A 94 17.773 24.735 -29.940 1.00 0.00 O ATOM 0 H TYR A 94 17.107 20.729 -25.977 1.00 0.00 H new ATOM 0 HA TYR A 94 19.498 19.137 -25.280 1.00 0.00 H new ATOM 0 HB2 TYR A 94 20.574 19.988 -27.295 1.00 0.00 H new ATOM 0 HB3 TYR A 94 19.088 19.180 -27.752 1.00 0.00 H new ATOM 0 HD1 TYR A 94 20.641 22.517 -27.250 1.00 0.00 H new ATOM 0 HD2 TYR A 94 17.312 20.383 -28.837 1.00 0.00 H new ATOM 0 HE1 TYR A 94 19.899 24.547 -28.423 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.569 22.409 -30.008 1.00 0.00 H new ATOM 0 HH TYR A 94 16.953 24.542 -30.441 1.00 0.00 H new ATOM 1382 N SER A 95 20.887 21.421 -25.052 1.00 0.00 N ATOM 1383 CA SER A 95 21.522 22.567 -24.414 1.00 0.00 C ATOM 1384 C SER A 95 22.616 23.123 -25.317 1.00 0.00 C ATOM 1385 O SER A 95 23.044 22.457 -26.256 1.00 0.00 O ATOM 1386 CB SER A 95 22.111 22.167 -23.059 1.00 0.00 C ATOM 1387 OG SER A 95 22.302 20.764 -22.980 1.00 0.00 O ATOM 0 H SER A 95 21.540 20.774 -25.495 1.00 0.00 H new ATOM 0 HA SER A 95 20.769 23.338 -24.250 1.00 0.00 H new ATOM 0 HB2 SER A 95 23.063 22.676 -22.908 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.446 22.492 -22.259 1.00 0.00 H new ATOM 0 HG SER A 95 23.175 20.531 -23.359 1.00 0.00 H new ATOM 1393 N PHE A 96 23.065 24.340 -25.034 1.00 0.00 N ATOM 1394 CA PHE A 96 24.111 24.966 -25.836 1.00 0.00 C ATOM 1395 C PHE A 96 25.474 24.809 -25.172 1.00 0.00 C ATOM 1396 O PHE A 96 25.600 24.156 -24.137 1.00 0.00 O ATOM 1397 CB PHE A 96 23.809 26.450 -26.054 1.00 0.00 C ATOM 1398 CG PHE A 96 22.930 26.724 -27.241 1.00 0.00 C ATOM 1399 CD1 PHE A 96 23.045 25.971 -28.399 1.00 0.00 C ATOM 1400 CD2 PHE A 96 21.989 27.739 -27.197 1.00 0.00 C ATOM 1401 CE1 PHE A 96 22.237 26.226 -29.490 1.00 0.00 C ATOM 1402 CE2 PHE A 96 21.177 27.998 -28.285 1.00 0.00 C ATOM 1403 CZ PHE A 96 21.302 27.240 -29.433 1.00 0.00 C ATOM 0 H PHE A 96 22.724 24.911 -24.260 1.00 0.00 H new ATOM 0 HA PHE A 96 24.134 24.464 -26.803 1.00 0.00 H new ATOM 0 HB2 PHE A 96 23.330 26.848 -25.160 1.00 0.00 H new ATOM 0 HB3 PHE A 96 24.749 26.988 -26.178 1.00 0.00 H new ATOM 0 HD1 PHE A 96 23.774 25.176 -28.449 1.00 0.00 H new ATOM 0 HD2 PHE A 96 21.888 28.335 -26.302 1.00 0.00 H new ATOM 0 HE1 PHE A 96 22.337 25.633 -30.387 1.00 0.00 H new ATOM 0 HE2 PHE A 96 20.446 28.792 -28.238 1.00 0.00 H new ATOM 0 HZ PHE A 96 20.669 27.440 -30.285 1.00 0.00 H new ATOM 1413 N CYS A 97 26.491 25.415 -25.776 1.00 0.00 N ATOM 1414 CA CYS A 97 27.848 25.347 -25.248 1.00 0.00 C ATOM 1415 C CYS A 97 28.651 26.575 -25.669 1.00 0.00 C ATOM 1416 O CYS A 97 28.386 27.172 -26.712 1.00 0.00 O ATOM 1417 CB CYS A 97 28.544 24.074 -25.728 1.00 0.00 C ATOM 1418 SG CYS A 97 27.563 22.557 -25.493 1.00 0.00 S ATOM 0 H CYS A 97 26.400 25.960 -26.633 1.00 0.00 H new ATOM 0 HA CYS A 97 27.790 25.326 -24.160 1.00 0.00 H new ATOM 0 HB2 CYS A 97 28.782 24.180 -26.786 1.00 0.00 H new ATOM 0 HB3 CYS A 97 29.490 23.968 -25.198 1.00 0.00 H new ATOM 1423 N THR A 98 29.629 26.948 -24.851 1.00 0.00 N ATOM 1424 CA THR A 98 30.463 28.104 -25.137 1.00 0.00 C ATOM 1425 C THR A 98 31.096 28.008 -26.520 1.00 0.00 C ATOM 1426 O THR A 98 30.636 28.644 -27.469 1.00 0.00 O ATOM 1427 CB THR A 98 31.565 28.260 -24.074 1.00 0.00 C ATOM 1428 OG1 THR A 98 32.573 27.256 -24.252 1.00 0.00 O ATOM 1429 CG2 THR A 98 30.980 28.152 -22.675 1.00 0.00 C ATOM 0 H THR A 98 29.862 26.464 -23.984 1.00 0.00 H new ATOM 0 HA THR A 98 29.816 28.981 -25.114 1.00 0.00 H new ATOM 0 HB THR A 98 32.014 29.246 -24.193 1.00 0.00 H new ATOM 0 HG1 THR A 98 33.269 27.367 -23.571 1.00 0.00 H new ATOM 0 HG21 THR A 98 31.775 28.265 -21.938 1.00 0.00 H new ATOM 0 HG22 THR A 98 30.237 28.936 -22.530 1.00 0.00 H new ATOM 0 HG23 THR A 98 30.508 27.177 -22.552 1.00 0.00 H new