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 17 GLN : amide:sc= 0 X(o=-1.6,f=-1.6) USER MOD Set 1.2: A 30 THR OG1 : rot 160:sc= -1.56! USER MOD Set 2.1: A 3 HIS : no HD1:sc= -2.14! K(o=-2.1!,f=-0.45) USER MOD Set 2.2: A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 64:sc= -2.16 USER MOD Single : A 8 SER OG : rot -78:sc= 0.989 USER MOD Single : A 12 TYR OH : rot -135:sc= 0.767 USER MOD Single : A 16 MET CE :methyl -135:sc= -2.89! (180deg=-5.61!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0641 X(o=-0.064,f=-0.38) USER MOD Single : A 27 MET CE :methyl -176:sc= 0 (180deg=-0.0237) USER MOD Single : A 34 ASN : amide:sc= -3.72! C(o=-3.7!,f=-10!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0859 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 1.14 K(o=1.1,f=-0.39) USER MOD Single : A 51 SER OG : rot 110:sc= -1.39! USER MOD Single : A 52 ASN : amide:sc= -2.3! C(o=-2.3!,f=-4!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -1.37 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 66 THR OG1 : rot 180:sc=-0.00429 USER MOD Single : A 68 TYR OH : rot 180:sc= -0.0614 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 177:sc= 0.569 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00599 USER MOD Single : A 79 HIS : no HE2:sc= -0.186 X(o=-0.19,f=-0.3) USER MOD Single : A 83 SER OG : rot 160:sc= -5.35! USER MOD Single : A 84 THR OG1 : rot -67:sc= -1.71! 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 87 ASN : amide:sc= -0.0125 X(o=-0.013,f=0) USER MOD Single : A 88 TYR OH : rot 37:sc= 0.237 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 92 GLN : amide:sc= -0.552 X(o=-0.55,f=-0.13) USER MOD Single : A 93 LYS NZ :NH3+ -112:sc= 0.68 (180deg=-1.43!) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 74:sc= 1.26 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 51.405 7.846 -37.668 1.00 0.00 N ATOM 32 CA HIS A 3 50.453 6.877 -37.147 1.00 0.00 C ATOM 33 C HIS A 3 50.349 6.984 -35.630 1.00 0.00 C ATOM 34 O HIS A 3 51.361 7.034 -34.931 1.00 0.00 O ATOM 35 CB HIS A 3 50.867 5.460 -37.545 1.00 0.00 C ATOM 36 CG HIS A 3 50.195 4.968 -38.790 1.00 0.00 C ATOM 37 ND1 HIS A 3 50.840 4.865 -40.004 1.00 0.00 N ATOM 38 CD2 HIS A 3 48.925 4.550 -39.005 1.00 0.00 C ATOM 39 CE1 HIS A 3 49.998 4.406 -40.912 1.00 0.00 C ATOM 40 NE2 HIS A 3 48.828 4.207 -40.332 1.00 0.00 N ATOM 0 HA HIS A 3 49.475 7.094 -37.577 1.00 0.00 H new ATOM 0 HB2 HIS A 3 51.947 5.433 -37.690 1.00 0.00 H new ATOM 0 HB3 HIS A 3 50.638 4.779 -36.725 1.00 0.00 H new ATOM 0 HD2 HIS A 3 48.135 4.496 -38.270 1.00 0.00 H new ATOM 0 HE1 HIS A 3 50.227 4.224 -41.952 1.00 0.00 H new ATOM 0 HE2 HIS A 3 47.989 3.856 -40.794 1.00 0.00 H new ATOM 49 N CYS A 4 49.121 7.020 -35.129 1.00 0.00 N ATOM 50 CA CYS A 4 48.886 7.125 -33.692 1.00 0.00 C ATOM 51 C CYS A 4 48.304 5.830 -33.138 1.00 0.00 C ATOM 52 O CYS A 4 47.868 4.961 -33.892 1.00 0.00 O ATOM 53 CB CYS A 4 47.944 8.293 -33.393 1.00 0.00 C ATOM 54 SG CYS A 4 46.870 8.753 -34.793 1.00 0.00 S ATOM 0 H CYS A 4 48.273 6.978 -35.694 1.00 0.00 H new ATOM 0 HA CYS A 4 49.844 7.306 -33.205 1.00 0.00 H new ATOM 0 HB2 CYS A 4 47.319 8.033 -32.538 1.00 0.00 H new ATOM 0 HB3 CYS A 4 48.537 9.160 -33.103 1.00 0.00 H new ATOM 59 N VAL A 5 48.299 5.707 -31.815 1.00 0.00 N ATOM 60 CA VAL A 5 47.769 4.518 -31.159 1.00 0.00 C ATOM 61 C VAL A 5 47.139 4.872 -29.817 1.00 0.00 C ATOM 62 O VAL A 5 46.987 6.046 -29.482 1.00 0.00 O ATOM 63 CB VAL A 5 48.867 3.463 -30.932 1.00 0.00 C ATOM 64 CG1 VAL A 5 49.559 3.119 -32.241 1.00 0.00 C ATOM 65 CG2 VAL A 5 49.872 3.953 -29.900 1.00 0.00 C ATOM 0 H VAL A 5 48.656 6.417 -31.176 1.00 0.00 H new ATOM 0 HA VAL A 5 47.009 4.103 -31.821 1.00 0.00 H new ATOM 0 HB VAL A 5 48.400 2.556 -30.548 1.00 0.00 H new ATOM 0 HG11 VAL A 5 50.331 2.372 -32.059 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.828 2.721 -32.945 1.00 0.00 H new ATOM 0 HG13 VAL A 5 50.014 4.017 -32.659 1.00 0.00 H new ATOM 0 HG21 VAL A 5 50.641 3.195 -29.752 1.00 0.00 H new ATOM 0 HG22 VAL A 5 50.335 4.875 -30.252 1.00 0.00 H new ATOM 0 HG23 VAL A 5 49.361 4.141 -28.956 1.00 0.00 H new ATOM 75 N THR A 6 46.774 3.849 -29.053 1.00 0.00 N ATOM 76 CA THR A 6 46.163 4.052 -27.746 1.00 0.00 C ATOM 77 C THR A 6 46.436 2.869 -26.825 1.00 0.00 C ATOM 78 O THR A 6 47.341 2.916 -25.992 1.00 0.00 O ATOM 79 CB THR A 6 44.640 4.261 -27.858 1.00 0.00 C ATOM 80 OG1 THR A 6 43.969 3.576 -26.794 1.00 0.00 O ATOM 81 CG2 THR A 6 44.119 3.757 -29.195 1.00 0.00 C ATOM 0 H THR A 6 46.891 2.871 -29.317 1.00 0.00 H new ATOM 0 HA THR A 6 46.612 4.951 -27.325 1.00 0.00 H new ATOM 0 HB THR A 6 44.440 5.330 -27.786 1.00 0.00 H new ATOM 0 HG1 THR A 6 44.232 3.969 -25.935 1.00 0.00 H new ATOM 0 HG21 THR A 6 43.042 3.916 -29.249 1.00 0.00 H new ATOM 0 HG22 THR A 6 44.607 4.301 -30.004 1.00 0.00 H new ATOM 0 HG23 THR A 6 44.334 2.693 -29.291 1.00 0.00 H new ATOM 89 N ASP A 7 45.650 1.810 -26.981 1.00 0.00 N ATOM 90 CA ASP A 7 45.808 0.614 -26.163 1.00 0.00 C ATOM 91 C ASP A 7 46.653 -0.434 -26.883 1.00 0.00 C ATOM 92 O ASP A 7 46.795 -1.561 -26.410 1.00 0.00 O ATOM 93 CB ASP A 7 44.440 0.027 -25.814 1.00 0.00 C ATOM 94 CG ASP A 7 43.720 0.833 -24.750 1.00 0.00 C ATOM 95 OD1 ASP A 7 43.439 2.024 -24.996 1.00 0.00 O ATOM 96 OD2 ASP A 7 43.438 0.272 -23.670 1.00 0.00 O ATOM 0 H ASP A 7 44.897 1.755 -27.667 1.00 0.00 H new ATOM 0 HA ASP A 7 46.321 0.899 -25.245 1.00 0.00 H new ATOM 0 HB2 ASP A 7 43.825 -0.014 -26.713 1.00 0.00 H new ATOM 0 HB3 ASP A 7 44.565 -0.998 -25.466 1.00 0.00 H new ATOM 101 N SER A 8 47.212 -0.055 -28.027 1.00 0.00 N ATOM 102 CA SER A 8 48.042 -0.964 -28.809 1.00 0.00 C ATOM 103 C SER A 8 47.183 -1.867 -29.686 1.00 0.00 C ATOM 104 O SER A 8 47.623 -2.934 -30.116 1.00 0.00 O ATOM 105 CB SER A 8 48.915 -1.813 -27.883 1.00 0.00 C ATOM 106 OG SER A 8 48.329 -3.082 -27.650 1.00 0.00 O ATOM 0 H SER A 8 47.106 0.875 -28.433 1.00 0.00 H new ATOM 0 HA SER A 8 48.684 -0.365 -29.455 1.00 0.00 H new ATOM 0 HB2 SER A 8 49.903 -1.941 -28.326 1.00 0.00 H new ATOM 0 HB3 SER A 8 49.056 -1.294 -26.935 1.00 0.00 H new ATOM 0 HG SER A 8 47.608 -2.994 -26.992 1.00 0.00 H new ATOM 112 N GLY A 9 45.954 -1.433 -29.949 1.00 0.00 N ATOM 113 CA GLY A 9 45.054 -2.215 -30.776 1.00 0.00 C ATOM 114 C GLY A 9 44.509 -1.424 -31.949 1.00 0.00 C ATOM 115 O GLY A 9 44.194 -1.990 -32.995 1.00 0.00 O ATOM 0 H GLY A 9 45.566 -0.555 -29.604 1.00 0.00 H new ATOM 0 HA2 GLY A 9 45.579 -3.095 -31.148 1.00 0.00 H new ATOM 0 HA3 GLY A 9 44.224 -2.573 -30.166 1.00 0.00 H new ATOM 119 N VAL A 10 44.397 -0.111 -31.773 1.00 0.00 N ATOM 120 CA VAL A 10 43.886 0.759 -32.826 1.00 0.00 C ATOM 121 C VAL A 10 44.966 1.711 -33.328 1.00 0.00 C ATOM 122 O VAL A 10 45.245 2.735 -32.703 1.00 0.00 O ATOM 123 CB VAL A 10 42.679 1.581 -32.339 1.00 0.00 C ATOM 124 CG1 VAL A 10 42.121 2.431 -33.471 1.00 0.00 C ATOM 125 CG2 VAL A 10 41.606 0.667 -31.769 1.00 0.00 C ATOM 0 H VAL A 10 44.653 0.373 -30.912 1.00 0.00 H new ATOM 0 HA VAL A 10 43.569 0.111 -33.644 1.00 0.00 H new ATOM 0 HB VAL A 10 43.013 2.249 -31.545 1.00 0.00 H new ATOM 0 HG11 VAL A 10 41.268 3.005 -33.109 1.00 0.00 H new ATOM 0 HG12 VAL A 10 42.893 3.113 -33.828 1.00 0.00 H new ATOM 0 HG13 VAL A 10 41.802 1.784 -34.288 1.00 0.00 H new ATOM 0 HG21 VAL A 10 40.761 1.266 -31.430 1.00 0.00 H new ATOM 0 HG22 VAL A 10 41.273 -0.028 -32.540 1.00 0.00 H new ATOM 0 HG23 VAL A 10 42.014 0.107 -30.928 1.00 0.00 H new ATOM 135 N VAL A 11 45.569 1.367 -34.460 1.00 0.00 N ATOM 136 CA VAL A 11 46.618 2.188 -35.050 1.00 0.00 C ATOM 137 C VAL A 11 46.033 3.404 -35.760 1.00 0.00 C ATOM 138 O VAL A 11 45.827 3.388 -36.974 1.00 0.00 O ATOM 139 CB VAL A 11 47.466 1.382 -36.052 1.00 0.00 C ATOM 140 CG1 VAL A 11 48.367 2.305 -36.858 1.00 0.00 C ATOM 141 CG2 VAL A 11 48.286 0.324 -35.330 1.00 0.00 C ATOM 0 H VAL A 11 45.348 0.523 -34.988 1.00 0.00 H new ATOM 0 HA VAL A 11 47.255 2.521 -34.231 1.00 0.00 H new ATOM 0 HB VAL A 11 46.791 0.877 -36.743 1.00 0.00 H new ATOM 0 HG11 VAL A 11 48.957 1.716 -37.560 1.00 0.00 H new ATOM 0 HG12 VAL A 11 47.756 3.020 -37.409 1.00 0.00 H new ATOM 0 HG13 VAL A 11 49.034 2.842 -36.184 1.00 0.00 H new ATOM 0 HG21 VAL A 11 48.878 -0.235 -36.055 1.00 0.00 H new ATOM 0 HG22 VAL A 11 48.950 0.806 -34.613 1.00 0.00 H new ATOM 0 HG23 VAL A 11 47.618 -0.358 -34.804 1.00 0.00 H new ATOM 151 N TYR A 12 45.769 4.459 -34.996 1.00 0.00 N ATOM 152 CA TYR A 12 45.212 5.686 -35.553 1.00 0.00 C ATOM 153 C TYR A 12 46.219 6.374 -36.466 1.00 0.00 C ATOM 154 O TYR A 12 47.360 5.931 -36.598 1.00 0.00 O ATOM 155 CB TYR A 12 44.808 6.645 -34.431 1.00 0.00 C ATOM 156 CG TYR A 12 43.618 6.179 -33.628 1.00 0.00 C ATOM 157 CD1 TYR A 12 42.366 6.057 -34.213 1.00 0.00 C ATOM 158 CD2 TYR A 12 43.750 5.862 -32.283 1.00 0.00 C ATOM 159 CE1 TYR A 12 41.275 5.630 -33.480 1.00 0.00 C ATOM 160 CE2 TYR A 12 42.665 5.434 -31.542 1.00 0.00 C ATOM 161 CZ TYR A 12 41.429 5.320 -32.145 1.00 0.00 C ATOM 162 OH TYR A 12 40.346 4.893 -31.411 1.00 0.00 O ATOM 0 H TYR A 12 45.932 4.489 -33.990 1.00 0.00 H new ATOM 0 HA TYR A 12 44.331 5.418 -36.136 1.00 0.00 H new ATOM 0 HB2 TYR A 12 45.656 6.781 -33.760 1.00 0.00 H new ATOM 0 HB3 TYR A 12 44.583 7.620 -34.863 1.00 0.00 H new ATOM 0 HD1 TYR A 12 42.242 6.300 -35.258 1.00 0.00 H new ATOM 0 HD2 TYR A 12 44.716 5.951 -31.808 1.00 0.00 H new ATOM 0 HE1 TYR A 12 40.307 5.540 -33.950 1.00 0.00 H new ATOM 0 HE2 TYR A 12 42.784 5.190 -30.497 1.00 0.00 H new ATOM 0 HH TYR A 12 40.333 5.357 -30.548 1.00 0.00 H new ATOM 172 N SER A 13 45.791 7.468 -37.083 1.00 0.00 N ATOM 173 CA SER A 13 46.650 8.235 -37.974 1.00 0.00 C ATOM 174 C SER A 13 46.615 9.711 -37.603 1.00 0.00 C ATOM 175 O SER A 13 45.542 10.278 -37.401 1.00 0.00 O ATOM 176 CB SER A 13 46.217 8.047 -39.427 1.00 0.00 C ATOM 177 OG SER A 13 46.788 6.874 -39.983 1.00 0.00 O ATOM 0 H SER A 13 44.849 7.845 -36.981 1.00 0.00 H new ATOM 0 HA SER A 13 47.672 7.871 -37.865 1.00 0.00 H new ATOM 0 HB2 SER A 13 45.130 7.986 -39.481 1.00 0.00 H new ATOM 0 HB3 SER A 13 46.517 8.915 -40.014 1.00 0.00 H new ATOM 0 HG SER A 13 46.494 6.776 -40.913 1.00 0.00 H new ATOM 183 N VAL A 14 47.794 10.320 -37.508 1.00 0.00 N ATOM 184 CA VAL A 14 47.916 11.731 -37.150 1.00 0.00 C ATOM 185 C VAL A 14 46.702 12.536 -37.605 1.00 0.00 C ATOM 186 O VAL A 14 46.691 13.099 -38.700 1.00 0.00 O ATOM 187 CB VAL A 14 49.187 12.355 -37.757 1.00 0.00 C ATOM 188 CG1 VAL A 14 49.254 12.086 -39.252 1.00 0.00 C ATOM 189 CG2 VAL A 14 49.236 13.848 -37.474 1.00 0.00 C ATOM 0 H VAL A 14 48.686 9.854 -37.676 1.00 0.00 H new ATOM 0 HA VAL A 14 47.979 11.770 -36.062 1.00 0.00 H new ATOM 0 HB VAL A 14 50.055 11.891 -37.289 1.00 0.00 H new ATOM 0 HG11 VAL A 14 50.159 12.535 -39.662 1.00 0.00 H new ATOM 0 HG12 VAL A 14 49.271 11.010 -39.428 1.00 0.00 H new ATOM 0 HG13 VAL A 14 48.381 12.520 -39.739 1.00 0.00 H new ATOM 0 HG21 VAL A 14 50.141 14.272 -37.910 1.00 0.00 H new ATOM 0 HG22 VAL A 14 48.362 14.330 -37.912 1.00 0.00 H new ATOM 0 HG23 VAL A 14 49.241 14.014 -36.397 1.00 0.00 H new ATOM 199 N GLY A 15 45.684 12.589 -36.752 1.00 0.00 N ATOM 200 CA GLY A 15 44.477 13.329 -37.076 1.00 0.00 C ATOM 201 C GLY A 15 43.213 12.502 -36.918 1.00 0.00 C ATOM 202 O GLY A 15 42.160 12.865 -37.442 1.00 0.00 O ATOM 0 H GLY A 15 45.673 12.132 -35.840 1.00 0.00 H new ATOM 0 HA2 GLY A 15 44.413 14.207 -36.434 1.00 0.00 H new ATOM 0 HA3 GLY A 15 44.543 13.689 -38.103 1.00 0.00 H new ATOM 206 N MET A 16 43.315 11.389 -36.198 1.00 0.00 N ATOM 207 CA MET A 16 42.171 10.513 -35.976 1.00 0.00 C ATOM 208 C MET A 16 41.554 10.755 -34.603 1.00 0.00 C ATOM 209 O MET A 16 42.211 10.576 -33.577 1.00 0.00 O ATOM 210 CB MET A 16 42.595 9.051 -36.101 1.00 0.00 C ATOM 211 CG MET A 16 41.801 8.268 -37.134 1.00 0.00 C ATOM 212 SD MET A 16 42.842 7.591 -38.441 1.00 0.00 S ATOM 213 CE MET A 16 42.834 5.852 -38.012 1.00 0.00 C ATOM 0 H MET A 16 44.179 11.073 -35.758 1.00 0.00 H new ATOM 0 HA MET A 16 41.422 10.738 -36.735 1.00 0.00 H new ATOM 0 HB2 MET A 16 43.653 9.010 -36.362 1.00 0.00 H new ATOM 0 HB3 MET A 16 42.487 8.567 -35.130 1.00 0.00 H new ATOM 0 HG2 MET A 16 41.271 7.455 -36.639 1.00 0.00 H new ATOM 0 HG3 MET A 16 41.046 8.918 -37.576 1.00 0.00 H new ATOM 0 HE1 MET A 16 43.847 5.456 -38.078 1.00 0.00 H new ATOM 0 HE2 MET A 16 42.463 5.730 -36.994 1.00 0.00 H new ATOM 0 HE3 MET A 16 42.187 5.310 -38.702 1.00 0.00 H new ATOM 223 N GLN A 17 40.289 11.155 -34.592 1.00 0.00 N ATOM 224 CA GLN A 17 39.582 11.414 -33.343 1.00 0.00 C ATOM 225 C GLN A 17 38.769 10.193 -32.925 1.00 0.00 C ATOM 226 O GLN A 17 38.036 9.619 -33.731 1.00 0.00 O ATOM 227 CB GLN A 17 38.668 12.630 -33.494 1.00 0.00 C ATOM 228 CG GLN A 17 39.402 13.956 -33.377 1.00 0.00 C ATOM 229 CD GLN A 17 38.463 15.146 -33.395 1.00 0.00 C ATOM 230 OE1 GLN A 17 37.657 15.302 -34.311 1.00 0.00 O ATOM 231 NE2 GLN A 17 38.565 15.994 -32.377 1.00 0.00 N ATOM 0 H GLN A 17 39.731 11.307 -35.432 1.00 0.00 H new ATOM 0 HA GLN A 17 40.318 11.622 -32.567 1.00 0.00 H new ATOM 0 HB2 GLN A 17 38.170 12.583 -34.463 1.00 0.00 H new ATOM 0 HB3 GLN A 17 37.889 12.586 -32.733 1.00 0.00 H new ATOM 0 HG2 GLN A 17 39.979 13.967 -32.452 1.00 0.00 H new ATOM 0 HG3 GLN A 17 40.113 14.047 -34.198 1.00 0.00 H new ATOM 0 HE21 GLN A 17 39.248 15.825 -31.639 1.00 0.00 H new ATOM 0 HE22 GLN A 17 37.960 16.814 -32.334 1.00 0.00 H new ATOM 240 N TRP A 18 38.911 9.795 -31.665 1.00 0.00 N ATOM 241 CA TRP A 18 38.195 8.634 -31.150 1.00 0.00 C ATOM 242 C TRP A 18 37.785 8.834 -29.694 1.00 0.00 C ATOM 243 O TRP A 18 37.883 9.936 -29.154 1.00 0.00 O ATOM 244 CB TRP A 18 39.068 7.386 -31.269 1.00 0.00 C ATOM 245 CG TRP A 18 40.225 7.387 -30.316 1.00 0.00 C ATOM 246 CD1 TRP A 18 40.226 6.934 -29.028 1.00 0.00 C ATOM 247 CD2 TRP A 18 41.549 7.869 -30.573 1.00 0.00 C ATOM 248 NE1 TRP A 18 41.469 7.103 -28.468 1.00 0.00 N ATOM 249 CE2 TRP A 18 42.299 7.676 -29.398 1.00 0.00 C ATOM 250 CE3 TRP A 18 42.176 8.443 -31.684 1.00 0.00 C ATOM 251 CZ2 TRP A 18 43.639 8.038 -29.301 1.00 0.00 C ATOM 252 CZ3 TRP A 18 43.506 8.802 -31.586 1.00 0.00 C ATOM 253 CH2 TRP A 18 44.225 8.598 -30.403 1.00 0.00 C ATOM 0 H TRP A 18 39.513 10.258 -30.984 1.00 0.00 H new ATOM 0 HA TRP A 18 37.291 8.508 -31.746 1.00 0.00 H new ATOM 0 HB2 TRP A 18 38.456 6.503 -31.088 1.00 0.00 H new ATOM 0 HB3 TRP A 18 39.445 7.309 -32.289 1.00 0.00 H new ATOM 0 HD1 TRP A 18 39.373 6.505 -28.523 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.732 6.845 -27.517 1.00 0.00 H new ATOM 0 HE3 TRP A 18 41.630 8.603 -32.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 44.196 7.883 -28.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 44.000 9.248 -32.437 1.00 0.00 H new ATOM 0 HH2 TRP A 18 45.264 8.889 -30.359 1.00 0.00 H new ATOM 264 N LEU A 19 37.331 7.754 -29.067 1.00 0.00 N ATOM 265 CA LEU A 19 36.908 7.794 -27.671 1.00 0.00 C ATOM 266 C LEU A 19 37.482 6.610 -26.902 1.00 0.00 C ATOM 267 O LEU A 19 37.405 5.468 -27.355 1.00 0.00 O ATOM 268 CB LEU A 19 35.383 7.782 -27.577 1.00 0.00 C ATOM 269 CG LEU A 19 34.797 8.571 -26.404 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.827 10.063 -26.693 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.375 8.113 -26.113 1.00 0.00 C ATOM 0 H LEU A 19 37.246 6.837 -29.505 1.00 0.00 H new ATOM 0 HA LEU A 19 37.284 8.716 -27.228 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.974 8.183 -28.504 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.048 6.748 -27.502 1.00 0.00 H new ATOM 0 HG LEU A 19 35.409 8.381 -25.522 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.406 10.606 -25.847 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.857 10.382 -26.853 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.240 10.272 -27.587 1.00 0.00 H new ATOM 0 HD21 LEU A 19 32.973 8.684 -25.276 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.754 8.274 -26.994 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.379 7.053 -25.860 1.00 0.00 H new ATOM 283 N LYS A 20 38.059 6.889 -25.741 1.00 0.00 N ATOM 284 CA LYS A 20 38.648 5.843 -24.914 1.00 0.00 C ATOM 285 C LYS A 20 37.908 5.709 -23.587 1.00 0.00 C ATOM 286 O LYS A 20 37.020 6.503 -23.276 1.00 0.00 O ATOM 287 CB LYS A 20 40.126 6.138 -24.659 1.00 0.00 C ATOM 288 CG LYS A 20 40.367 7.444 -23.919 1.00 0.00 C ATOM 289 CD LYS A 20 41.827 7.595 -23.523 1.00 0.00 C ATOM 290 CE LYS A 20 42.226 6.573 -22.471 1.00 0.00 C ATOM 291 NZ LYS A 20 43.545 5.951 -22.770 1.00 0.00 N ATOM 0 H LYS A 20 38.132 7.829 -25.351 1.00 0.00 H new ATOM 0 HA LYS A 20 38.559 4.899 -25.452 1.00 0.00 H new ATOM 0 HB2 LYS A 20 40.557 5.319 -24.083 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.652 6.168 -25.613 1.00 0.00 H new ATOM 0 HG2 LYS A 20 40.071 8.282 -24.550 1.00 0.00 H new ATOM 0 HG3 LYS A 20 39.741 7.480 -23.027 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.458 7.478 -24.404 1.00 0.00 H new ATOM 0 HD3 LYS A 20 41.999 8.601 -23.139 1.00 0.00 H new ATOM 0 HE2 LYS A 20 42.265 7.055 -21.494 1.00 0.00 H new ATOM 0 HE3 LYS A 20 41.464 5.796 -22.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 43.779 5.261 -22.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 43.501 5.469 -23.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.278 6.688 -22.800 1.00 0.00 H new ATOM 379 N GLN A 26 34.282 7.604 -19.313 1.00 0.00 N ATOM 380 CA GLN A 26 34.412 7.767 -20.756 1.00 0.00 C ATOM 381 C GLN A 26 35.143 9.061 -21.094 1.00 0.00 C ATOM 382 O GLN A 26 34.778 10.135 -20.615 1.00 0.00 O ATOM 383 CB GLN A 26 33.033 7.758 -21.417 1.00 0.00 C ATOM 384 CG GLN A 26 32.589 6.379 -21.878 1.00 0.00 C ATOM 385 CD GLN A 26 31.112 6.135 -21.644 1.00 0.00 C ATOM 386 OE1 GLN A 26 30.588 6.410 -20.564 1.00 0.00 O ATOM 387 NE2 GLN A 26 30.431 5.614 -22.658 1.00 0.00 N ATOM 0 HA GLN A 26 34.997 6.931 -21.140 1.00 0.00 H new ATOM 0 HB2 GLN A 26 32.299 8.151 -20.713 1.00 0.00 H new ATOM 0 HB3 GLN A 26 33.045 8.432 -22.274 1.00 0.00 H new ATOM 0 HG2 GLN A 26 32.808 6.267 -22.940 1.00 0.00 H new ATOM 0 HG3 GLN A 26 33.167 5.620 -21.351 1.00 0.00 H new ATOM 0 HE21 GLN A 26 30.906 5.402 -23.535 1.00 0.00 H new ATOM 0 HE22 GLN A 26 29.433 5.426 -22.559 1.00 0.00 H new ATOM 396 N MET A 27 36.178 8.952 -21.919 1.00 0.00 N ATOM 397 CA MET A 27 36.962 10.113 -22.319 1.00 0.00 C ATOM 398 C MET A 27 37.312 10.047 -23.804 1.00 0.00 C ATOM 399 O MET A 27 37.483 8.963 -24.362 1.00 0.00 O ATOM 400 CB MET A 27 38.239 10.195 -21.482 1.00 0.00 C ATOM 401 CG MET A 27 38.642 11.613 -21.119 1.00 0.00 C ATOM 402 SD MET A 27 40.386 11.944 -21.437 1.00 0.00 S ATOM 403 CE MET A 27 40.833 12.860 -19.964 1.00 0.00 C ATOM 0 H MET A 27 36.493 8.071 -22.324 1.00 0.00 H new ATOM 0 HA MET A 27 36.363 11.008 -22.148 1.00 0.00 H new ATOM 0 HB2 MET A 27 38.100 9.621 -20.566 1.00 0.00 H new ATOM 0 HB3 MET A 27 39.054 9.725 -22.032 1.00 0.00 H new ATOM 0 HG2 MET A 27 38.033 12.316 -21.688 1.00 0.00 H new ATOM 0 HG3 MET A 27 38.430 11.788 -20.064 1.00 0.00 H new ATOM 0 HE1 MET A 27 41.866 13.198 -20.045 1.00 0.00 H new ATOM 0 HE2 MET A 27 40.176 13.724 -19.859 1.00 0.00 H new ATOM 0 HE3 MET A 27 40.729 12.217 -19.090 1.00 0.00 H new ATOM 413 N LEU A 28 37.423 11.211 -24.437 1.00 0.00 N ATOM 414 CA LEU A 28 37.760 11.283 -25.854 1.00 0.00 C ATOM 415 C LEU A 28 39.247 11.552 -26.034 1.00 0.00 C ATOM 416 O LEU A 28 39.810 12.430 -25.381 1.00 0.00 O ATOM 417 CB LEU A 28 36.951 12.382 -26.544 1.00 0.00 C ATOM 418 CG LEU A 28 37.297 12.604 -28.018 1.00 0.00 C ATOM 419 CD1 LEU A 28 36.099 12.296 -28.898 1.00 0.00 C ATOM 420 CD2 LEU A 28 37.772 14.031 -28.247 1.00 0.00 C ATOM 0 H LEU A 28 37.284 12.117 -23.990 1.00 0.00 H new ATOM 0 HA LEU A 28 37.514 10.324 -26.310 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.892 12.137 -26.467 1.00 0.00 H new ATOM 0 HB3 LEU A 28 37.102 13.317 -26.005 1.00 0.00 H new ATOM 0 HG LEU A 28 38.106 11.925 -28.286 1.00 0.00 H new ATOM 0 HD11 LEU A 28 36.363 12.459 -29.943 1.00 0.00 H new ATOM 0 HD12 LEU A 28 35.802 11.257 -28.757 1.00 0.00 H new ATOM 0 HD13 LEU A 28 35.271 12.950 -28.627 1.00 0.00 H new ATOM 0 HD21 LEU A 28 38.013 14.169 -29.301 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.984 14.727 -27.961 1.00 0.00 H new ATOM 0 HD23 LEU A 28 38.660 14.220 -27.644 1.00 0.00 H new ATOM 432 N CYS A 29 39.882 10.796 -26.921 1.00 0.00 N ATOM 433 CA CYS A 29 41.305 10.968 -27.173 1.00 0.00 C ATOM 434 C CYS A 29 41.572 11.228 -28.647 1.00 0.00 C ATOM 435 O CYS A 29 40.943 10.633 -29.522 1.00 0.00 O ATOM 436 CB CYS A 29 42.088 9.745 -26.698 1.00 0.00 C ATOM 437 SG CYS A 29 43.858 10.071 -26.412 1.00 0.00 S ATOM 0 H CYS A 29 39.437 10.063 -27.474 1.00 0.00 H new ATOM 0 HA CYS A 29 41.642 11.837 -26.608 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.642 9.376 -25.774 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.989 8.952 -27.439 1.00 0.00 H new ATOM 442 N THR A 30 42.509 12.127 -28.909 1.00 0.00 N ATOM 443 CA THR A 30 42.869 12.483 -30.275 1.00 0.00 C ATOM 444 C THR A 30 44.379 12.507 -30.458 1.00 0.00 C ATOM 445 O THR A 30 45.121 12.872 -29.546 1.00 0.00 O ATOM 446 CB THR A 30 42.305 13.862 -30.669 1.00 0.00 C ATOM 447 OG1 THR A 30 40.881 13.872 -30.513 1.00 0.00 O ATOM 448 CG2 THR A 30 42.666 14.201 -32.108 1.00 0.00 C ATOM 0 H THR A 30 43.036 12.625 -28.192 1.00 0.00 H new ATOM 0 HA THR A 30 42.434 11.719 -30.919 1.00 0.00 H new ATOM 0 HB THR A 30 42.746 14.613 -30.013 1.00 0.00 H new ATOM 0 HG1 THR A 30 40.566 14.798 -30.448 1.00 0.00 H new ATOM 0 HG21 THR A 30 42.258 15.179 -32.365 1.00 0.00 H new ATOM 0 HG22 THR A 30 43.750 14.221 -32.216 1.00 0.00 H new ATOM 0 HG23 THR A 30 42.249 13.447 -32.775 1.00 0.00 H new ATOM 456 N CYS A 31 44.828 12.125 -31.646 1.00 0.00 N ATOM 457 CA CYS A 31 46.249 12.112 -31.952 1.00 0.00 C ATOM 458 C CYS A 31 46.596 13.242 -32.914 1.00 0.00 C ATOM 459 O CYS A 31 46.299 13.173 -34.106 1.00 0.00 O ATOM 460 CB CYS A 31 46.657 10.765 -32.545 1.00 0.00 C ATOM 461 SG CYS A 31 45.829 10.356 -34.112 1.00 0.00 S ATOM 0 H CYS A 31 44.228 11.820 -32.412 1.00 0.00 H new ATOM 0 HA CYS A 31 46.802 12.263 -31.025 1.00 0.00 H new ATOM 0 HB2 CYS A 31 47.735 10.764 -32.706 1.00 0.00 H new ATOM 0 HB3 CYS A 31 46.442 9.981 -31.819 1.00 0.00 H new ATOM 466 N LEU A 32 47.216 14.287 -32.380 1.00 0.00 N ATOM 467 CA LEU A 32 47.595 15.445 -33.182 1.00 0.00 C ATOM 468 C LEU A 32 48.876 15.176 -33.972 1.00 0.00 C ATOM 469 O LEU A 32 48.839 14.540 -35.025 1.00 0.00 O ATOM 470 CB LEU A 32 47.770 16.676 -32.287 1.00 0.00 C ATOM 471 CG LEU A 32 48.248 16.379 -30.863 1.00 0.00 C ATOM 472 CD1 LEU A 32 49.260 17.417 -30.409 1.00 0.00 C ATOM 473 CD2 LEU A 32 47.066 16.326 -29.907 1.00 0.00 C ATOM 0 H LEU A 32 47.468 14.357 -31.394 1.00 0.00 H new ATOM 0 HA LEU A 32 46.794 15.637 -33.896 1.00 0.00 H new ATOM 0 HB2 LEU A 32 48.483 17.352 -32.760 1.00 0.00 H new ATOM 0 HB3 LEU A 32 46.818 17.204 -32.232 1.00 0.00 H new ATOM 0 HG LEU A 32 48.737 15.405 -30.860 1.00 0.00 H new ATOM 0 HD11 LEU A 32 49.587 17.187 -29.395 1.00 0.00 H new ATOM 0 HD12 LEU A 32 50.120 17.404 -31.079 1.00 0.00 H new ATOM 0 HD13 LEU A 32 48.801 18.405 -30.427 1.00 0.00 H new ATOM 0 HD21 LEU A 32 47.423 16.114 -28.899 1.00 0.00 H new ATOM 0 HD22 LEU A 32 46.549 17.285 -29.915 1.00 0.00 H new ATOM 0 HD23 LEU A 32 46.379 15.541 -30.221 1.00 0.00 H new ATOM 485 N GLY A 33 50.007 15.662 -33.465 1.00 0.00 N ATOM 486 CA GLY A 33 51.271 15.457 -34.150 1.00 0.00 C ATOM 487 C GLY A 33 52.389 15.064 -33.206 1.00 0.00 C ATOM 488 O GLY A 33 53.226 14.226 -33.541 1.00 0.00 O ATOM 0 H GLY A 33 50.070 16.192 -32.596 1.00 0.00 H new ATOM 0 HA2 GLY A 33 51.149 14.681 -34.905 1.00 0.00 H new ATOM 0 HA3 GLY A 33 51.548 16.371 -34.675 1.00 0.00 H new ATOM 492 N ASN A 34 52.403 15.669 -32.024 1.00 0.00 N ATOM 493 CA ASN A 34 53.426 15.375 -31.028 1.00 0.00 C ATOM 494 C ASN A 34 53.199 13.999 -30.417 1.00 0.00 C ATOM 495 O ASN A 34 54.141 13.234 -30.208 1.00 0.00 O ATOM 496 CB ASN A 34 53.423 16.441 -29.930 1.00 0.00 C ATOM 497 CG ASN A 34 52.352 16.192 -28.885 1.00 0.00 C ATOM 498 OD1 ASN A 34 51.208 15.882 -29.214 1.00 0.00 O ATOM 499 ND2 ASN A 34 52.720 16.328 -27.615 1.00 0.00 N ATOM 0 H ASN A 34 51.718 16.366 -31.732 1.00 0.00 H new ATOM 0 HA ASN A 34 54.397 15.381 -31.524 1.00 0.00 H new ATOM 0 HB2 ASN A 34 54.400 16.464 -29.447 1.00 0.00 H new ATOM 0 HB3 ASN A 34 53.267 17.422 -30.380 1.00 0.00 H new ATOM 0 HD21 ASN A 34 52.042 16.174 -26.868 1.00 0.00 H new ATOM 0 HD22 ASN A 34 53.680 16.587 -27.387 1.00 0.00 H new ATOM 506 N GLY A 35 51.940 13.693 -30.136 1.00 0.00 N ATOM 507 CA GLY A 35 51.599 12.410 -29.553 1.00 0.00 C ATOM 508 C GLY A 35 50.115 12.120 -29.628 1.00 0.00 C ATOM 509 O GLY A 35 49.556 11.982 -30.716 1.00 0.00 O ATOM 0 H GLY A 35 51.146 14.312 -30.302 1.00 0.00 H new ATOM 0 HA2 GLY A 35 52.147 11.622 -30.069 1.00 0.00 H new ATOM 0 HA3 GLY A 35 51.918 12.391 -28.511 1.00 0.00 H new ATOM 513 N VAL A 36 49.474 12.030 -28.468 1.00 0.00 N ATOM 514 CA VAL A 36 48.044 11.757 -28.402 1.00 0.00 C ATOM 515 C VAL A 36 47.449 12.282 -27.099 1.00 0.00 C ATOM 516 O VAL A 36 47.822 11.842 -26.011 1.00 0.00 O ATOM 517 CB VAL A 36 47.753 10.244 -28.531 1.00 0.00 C ATOM 518 CG1 VAL A 36 46.359 9.906 -28.021 1.00 0.00 C ATOM 519 CG2 VAL A 36 47.915 9.797 -29.973 1.00 0.00 C ATOM 0 H VAL A 36 49.923 12.142 -27.559 1.00 0.00 H new ATOM 0 HA VAL A 36 47.578 12.274 -29.241 1.00 0.00 H new ATOM 0 HB VAL A 36 48.474 9.707 -27.914 1.00 0.00 H new ATOM 0 HG11 VAL A 36 46.183 8.835 -28.125 1.00 0.00 H new ATOM 0 HG12 VAL A 36 46.278 10.187 -26.971 1.00 0.00 H new ATOM 0 HG13 VAL A 36 45.616 10.453 -28.602 1.00 0.00 H new ATOM 0 HG21 VAL A 36 47.707 8.730 -30.049 1.00 0.00 H new ATOM 0 HG22 VAL A 36 47.219 10.348 -30.605 1.00 0.00 H new ATOM 0 HG23 VAL A 36 48.936 9.992 -30.302 1.00 0.00 H new ATOM 529 N SER A 37 46.522 13.224 -27.220 1.00 0.00 N ATOM 530 CA SER A 37 45.870 13.809 -26.055 1.00 0.00 C ATOM 531 C SER A 37 44.428 13.330 -25.950 1.00 0.00 C ATOM 532 O SER A 37 43.879 12.771 -26.898 1.00 0.00 O ATOM 533 CB SER A 37 45.911 15.337 -26.134 1.00 0.00 C ATOM 534 OG SER A 37 45.407 15.923 -24.946 1.00 0.00 O ATOM 0 H SER A 37 46.205 13.599 -28.114 1.00 0.00 H new ATOM 0 HA SER A 37 46.409 13.487 -25.164 1.00 0.00 H new ATOM 0 HB2 SER A 37 46.936 15.668 -26.300 1.00 0.00 H new ATOM 0 HB3 SER A 37 45.324 15.676 -26.988 1.00 0.00 H new ATOM 0 HG SER A 37 45.446 16.899 -25.021 1.00 0.00 H new ATOM 540 N CYS A 38 43.819 13.550 -24.792 1.00 0.00 N ATOM 541 CA CYS A 38 42.441 13.139 -24.564 1.00 0.00 C ATOM 542 C CYS A 38 41.825 13.934 -23.416 1.00 0.00 C ATOM 543 O CYS A 38 42.463 14.147 -22.386 1.00 0.00 O ATOM 544 CB CYS A 38 42.372 11.639 -24.258 1.00 0.00 C ATOM 545 SG CYS A 38 43.942 10.742 -24.496 1.00 0.00 S ATOM 0 H CYS A 38 44.259 14.011 -23.996 1.00 0.00 H new ATOM 0 HA CYS A 38 41.873 13.340 -25.472 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.046 11.507 -23.226 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.610 11.187 -24.893 1.00 0.00 H new ATOM 550 N GLN A 39 40.584 14.371 -23.603 1.00 0.00 N ATOM 551 CA GLN A 39 39.884 15.144 -22.582 1.00 0.00 C ATOM 552 C GLN A 39 38.541 14.506 -22.239 1.00 0.00 C ATOM 553 O GLN A 39 37.917 13.872 -23.087 1.00 0.00 O ATOM 554 CB GLN A 39 39.671 16.586 -23.052 1.00 0.00 C ATOM 555 CG GLN A 39 40.118 16.837 -24.484 1.00 0.00 C ATOM 556 CD GLN A 39 40.082 18.305 -24.856 1.00 0.00 C ATOM 557 OE1 GLN A 39 41.120 18.963 -24.940 1.00 0.00 O ATOM 558 NE2 GLN A 39 38.883 18.829 -25.082 1.00 0.00 N ATOM 0 H GLN A 39 40.042 14.204 -24.451 1.00 0.00 H new ATOM 0 HA GLN A 39 40.503 15.151 -21.685 1.00 0.00 H new ATOM 0 HB2 GLN A 39 38.614 16.835 -22.962 1.00 0.00 H new ATOM 0 HB3 GLN A 39 40.214 17.259 -22.388 1.00 0.00 H new ATOM 0 HG2 GLN A 39 41.131 16.457 -24.616 1.00 0.00 H new ATOM 0 HG3 GLN A 39 39.476 16.278 -25.165 1.00 0.00 H new ATOM 0 HE21 GLN A 39 38.049 18.248 -25.001 1.00 0.00 H new ATOM 0 HE22 GLN A 39 38.796 19.813 -25.336 1.00 0.00 H new ATOM 636 N GLN A 45 29.955 24.146 -23.756 1.00 0.00 N ATOM 637 CA GLN A 45 29.061 25.122 -23.144 1.00 0.00 C ATOM 638 C GLN A 45 27.605 24.767 -23.430 1.00 0.00 C ATOM 639 O GLN A 45 27.309 24.031 -24.371 1.00 0.00 O ATOM 640 CB GLN A 45 29.373 26.526 -23.666 1.00 0.00 C ATOM 641 CG GLN A 45 30.854 26.772 -23.902 1.00 0.00 C ATOM 642 CD GLN A 45 31.648 26.841 -22.612 1.00 0.00 C ATOM 643 OE1 GLN A 45 31.139 27.278 -21.580 1.00 0.00 O ATOM 644 NE2 GLN A 45 32.902 26.409 -22.664 1.00 0.00 N ATOM 0 HA GLN A 45 29.217 25.104 -22.065 1.00 0.00 H new ATOM 0 HB2 GLN A 45 28.833 26.686 -24.600 1.00 0.00 H new ATOM 0 HB3 GLN A 45 29.000 27.261 -22.953 1.00 0.00 H new ATOM 0 HG2 GLN A 45 31.255 25.976 -24.529 1.00 0.00 H new ATOM 0 HG3 GLN A 45 30.980 27.705 -24.452 1.00 0.00 H new ATOM 0 HE21 GLN A 45 33.283 26.055 -23.541 1.00 0.00 H new ATOM 0 HE22 GLN A 45 33.484 26.431 -21.827 1.00 0.00 H new ATOM 653 N THR A 46 26.698 25.294 -22.615 1.00 0.00 N ATOM 654 CA THR A 46 25.277 25.027 -22.788 1.00 0.00 C ATOM 655 C THR A 46 24.438 26.245 -22.422 1.00 0.00 C ATOM 656 O THR A 46 24.868 27.097 -21.645 1.00 0.00 O ATOM 657 CB THR A 46 24.821 23.828 -21.935 1.00 0.00 C ATOM 658 OG1 THR A 46 25.100 24.076 -20.551 1.00 0.00 O ATOM 659 CG2 THR A 46 25.522 22.551 -22.378 1.00 0.00 C ATOM 0 H THR A 46 26.921 25.907 -21.831 1.00 0.00 H new ATOM 0 HA THR A 46 25.128 24.791 -23.842 1.00 0.00 H new ATOM 0 HB THR A 46 23.747 23.701 -22.071 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.806 23.310 -20.016 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.184 21.718 -21.762 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.285 22.349 -23.422 1.00 0.00 H new ATOM 0 HG23 THR A 46 26.600 22.671 -22.268 1.00 0.00 H new ATOM 667 N TYR A 47 23.240 26.322 -22.990 1.00 0.00 N ATOM 668 CA TYR A 47 22.338 27.437 -22.725 1.00 0.00 C ATOM 669 C TYR A 47 20.938 27.139 -23.251 1.00 0.00 C ATOM 670 O TYR A 47 20.769 26.362 -24.191 1.00 0.00 O ATOM 671 CB TYR A 47 22.874 28.716 -23.369 1.00 0.00 C ATOM 672 CG TYR A 47 22.750 28.732 -24.876 1.00 0.00 C ATOM 673 CD1 TYR A 47 21.575 29.146 -25.490 1.00 0.00 C ATOM 674 CD2 TYR A 47 23.807 28.332 -25.683 1.00 0.00 C ATOM 675 CE1 TYR A 47 21.456 29.160 -26.867 1.00 0.00 C ATOM 676 CE2 TYR A 47 23.696 28.344 -27.061 1.00 0.00 C ATOM 677 CZ TYR A 47 22.519 28.759 -27.647 1.00 0.00 C ATOM 678 OH TYR A 47 22.405 28.771 -29.018 1.00 0.00 O ATOM 0 H TYR A 47 22.871 25.625 -23.637 1.00 0.00 H new ATOM 0 HA TYR A 47 22.280 27.578 -21.646 1.00 0.00 H new ATOM 0 HB2 TYR A 47 22.337 29.572 -22.959 1.00 0.00 H new ATOM 0 HB3 TYR A 47 23.923 28.838 -23.098 1.00 0.00 H new ATOM 0 HD1 TYR A 47 20.741 29.462 -24.882 1.00 0.00 H new ATOM 0 HD2 TYR A 47 24.730 28.006 -25.227 1.00 0.00 H new ATOM 0 HE1 TYR A 47 20.535 29.483 -27.329 1.00 0.00 H new ATOM 0 HE2 TYR A 47 24.527 28.030 -27.675 1.00 0.00 H new ATOM 0 HH TYR A 47 23.244 28.460 -29.419 1.00 0.00 H new ATOM 688 N GLY A 48 19.937 27.765 -22.640 1.00 0.00 N ATOM 689 CA GLY A 48 18.564 27.558 -23.060 1.00 0.00 C ATOM 690 C GLY A 48 18.274 26.111 -23.406 1.00 0.00 C ATOM 691 O GLY A 48 18.473 25.217 -22.583 1.00 0.00 O ATOM 0 H GLY A 48 20.053 28.413 -21.861 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.892 27.880 -22.264 1.00 0.00 H new ATOM 0 HA3 GLY A 48 18.354 28.184 -23.927 1.00 0.00 H new ATOM 695 N GLY A 49 17.801 25.880 -24.626 1.00 0.00 N ATOM 696 CA GLY A 49 17.487 24.532 -25.058 1.00 0.00 C ATOM 697 C GLY A 49 16.243 23.984 -24.386 1.00 0.00 C ATOM 698 O GLY A 49 15.201 24.638 -24.368 1.00 0.00 O ATOM 0 H GLY A 49 17.629 26.604 -25.324 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.346 24.523 -26.139 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.332 23.878 -24.841 1.00 0.00 H new ATOM 702 N ASN A 50 16.354 22.782 -23.830 1.00 0.00 N ATOM 703 CA ASN A 50 15.229 22.148 -23.152 1.00 0.00 C ATOM 704 C ASN A 50 15.517 21.970 -21.663 1.00 0.00 C ATOM 705 O ASN A 50 14.661 21.515 -20.906 1.00 0.00 O ATOM 706 CB ASN A 50 14.922 20.791 -23.788 1.00 0.00 C ATOM 707 CG ASN A 50 13.449 20.439 -23.716 1.00 0.00 C ATOM 708 OD1 ASN A 50 12.805 20.203 -24.738 1.00 0.00 O ATOM 709 ND2 ASN A 50 12.908 20.402 -22.504 1.00 0.00 N ATOM 0 H ASN A 50 17.210 22.228 -23.835 1.00 0.00 H new ATOM 0 HA ASN A 50 14.361 22.798 -23.260 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.240 20.801 -24.831 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.503 20.017 -23.285 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.921 20.171 -22.393 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.480 20.605 -21.684 1.00 0.00 H new ATOM 716 N SER A 51 16.730 22.331 -21.250 1.00 0.00 N ATOM 717 CA SER A 51 17.127 22.210 -19.853 1.00 0.00 C ATOM 718 C SER A 51 17.621 23.547 -19.307 1.00 0.00 C ATOM 719 O SER A 51 18.090 23.628 -18.172 1.00 0.00 O ATOM 720 CB SER A 51 18.219 21.150 -19.702 1.00 0.00 C ATOM 721 OG SER A 51 17.955 20.297 -18.602 1.00 0.00 O ATOM 0 H SER A 51 17.452 22.709 -21.863 1.00 0.00 H new ATOM 0 HA SER A 51 16.252 21.906 -19.279 1.00 0.00 H new ATOM 0 HB2 SER A 51 18.286 20.560 -20.616 1.00 0.00 H new ATOM 0 HB3 SER A 51 19.185 21.636 -19.565 1.00 0.00 H new ATOM 0 HG SER A 51 17.712 19.406 -18.930 1.00 0.00 H new ATOM 727 N ASN A 52 17.512 24.594 -20.119 1.00 0.00 N ATOM 728 CA ASN A 52 17.948 25.923 -19.713 1.00 0.00 C ATOM 729 C ASN A 52 19.453 25.949 -19.464 1.00 0.00 C ATOM 730 O ASN A 52 19.963 26.821 -18.761 1.00 0.00 O ATOM 731 CB ASN A 52 17.198 26.361 -18.454 1.00 0.00 C ATOM 732 CG ASN A 52 17.703 27.680 -17.903 1.00 0.00 C ATOM 733 OD1 ASN A 52 18.309 28.475 -18.622 1.00 0.00 O ATOM 734 ND2 ASN A 52 17.457 27.918 -16.620 1.00 0.00 N ATOM 0 H ASN A 52 17.125 24.546 -21.062 1.00 0.00 H new ATOM 0 HA ASN A 52 17.723 26.619 -20.521 1.00 0.00 H new ATOM 0 HB2 ASN A 52 16.136 26.449 -18.681 1.00 0.00 H new ATOM 0 HB3 ASN A 52 17.298 25.590 -17.690 1.00 0.00 H new ATOM 0 HD21 ASN A 52 17.774 28.788 -16.193 1.00 0.00 H new ATOM 0 HD22 ASN A 52 16.951 27.231 -16.062 1.00 0.00 H new ATOM 741 N GLY A 53 20.161 24.986 -20.047 1.00 0.00 N ATOM 742 CA GLY A 53 21.600 24.917 -19.878 1.00 0.00 C ATOM 743 C GLY A 53 22.016 23.913 -18.823 1.00 0.00 C ATOM 744 O GLY A 53 22.500 24.289 -17.755 1.00 0.00 O ATOM 0 H GLY A 53 19.763 24.252 -20.633 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.061 24.651 -20.829 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.978 25.902 -19.605 1.00 0.00 H new ATOM 748 N GLU A 54 21.828 22.631 -19.120 1.00 0.00 N ATOM 749 CA GLU A 54 22.189 21.570 -18.187 1.00 0.00 C ATOM 750 C GLU A 54 23.253 20.656 -18.787 1.00 0.00 C ATOM 751 O GLU A 54 23.534 20.715 -19.984 1.00 0.00 O ATOM 752 CB GLU A 54 20.954 20.751 -17.809 1.00 0.00 C ATOM 753 CG GLU A 54 19.937 21.530 -16.992 1.00 0.00 C ATOM 754 CD GLU A 54 19.429 20.749 -15.796 1.00 0.00 C ATOM 755 OE1 GLU A 54 20.265 20.277 -14.997 1.00 0.00 O ATOM 756 OE2 GLU A 54 18.195 20.610 -15.658 1.00 0.00 O ATOM 0 H GLU A 54 21.428 22.302 -19.999 1.00 0.00 H new ATOM 0 HA GLU A 54 22.597 22.035 -17.290 1.00 0.00 H new ATOM 0 HB2 GLU A 54 20.476 20.388 -18.719 1.00 0.00 H new ATOM 0 HB3 GLU A 54 21.269 19.874 -17.243 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.389 22.461 -16.648 1.00 0.00 H new ATOM 0 HG3 GLU A 54 19.095 21.800 -17.629 1.00 0.00 H new ATOM 763 N PRO A 55 23.858 19.799 -17.953 1.00 0.00 N ATOM 764 CA PRO A 55 24.899 18.862 -18.392 1.00 0.00 C ATOM 765 C PRO A 55 24.381 17.868 -19.426 1.00 0.00 C ATOM 766 O PRO A 55 23.257 17.378 -19.320 1.00 0.00 O ATOM 767 CB PRO A 55 25.298 18.128 -17.106 1.00 0.00 C ATOM 768 CG PRO A 55 24.801 18.986 -15.992 1.00 0.00 C ATOM 769 CD PRO A 55 23.575 19.675 -16.518 1.00 0.00 C ATOM 0 HA PRO A 55 25.728 19.379 -18.875 1.00 0.00 H new ATOM 0 HB2 PRO A 55 24.852 17.134 -17.066 1.00 0.00 H new ATOM 0 HB3 PRO A 55 26.378 17.995 -17.048 1.00 0.00 H new ATOM 0 HG2 PRO A 55 24.565 18.387 -15.113 1.00 0.00 H new ATOM 0 HG3 PRO A 55 25.557 19.711 -15.690 1.00 0.00 H new ATOM 0 HD2 PRO A 55 22.673 19.091 -16.333 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.426 20.648 -16.050 1.00 0.00 H new ATOM 777 N CYS A 56 25.208 17.570 -20.423 1.00 0.00 N ATOM 778 CA CYS A 56 24.830 16.629 -21.471 1.00 0.00 C ATOM 779 C CYS A 56 25.033 15.191 -21.005 1.00 0.00 C ATOM 780 O CYS A 56 25.470 14.948 -19.879 1.00 0.00 O ATOM 781 CB CYS A 56 25.636 16.892 -22.743 1.00 0.00 C ATOM 782 SG CYS A 56 25.657 18.639 -23.262 1.00 0.00 S ATOM 0 H CYS A 56 26.142 17.966 -20.527 1.00 0.00 H new ATOM 0 HA CYS A 56 23.772 16.773 -21.692 1.00 0.00 H new ATOM 0 HB2 CYS A 56 26.662 16.558 -22.586 1.00 0.00 H new ATOM 0 HB3 CYS A 56 25.225 16.289 -23.552 1.00 0.00 H new ATOM 787 N VAL A 57 24.705 14.240 -21.873 1.00 0.00 N ATOM 788 CA VAL A 57 24.843 12.827 -21.544 1.00 0.00 C ATOM 789 C VAL A 57 25.340 12.026 -22.741 1.00 0.00 C ATOM 790 O VAL A 57 24.654 11.125 -23.224 1.00 0.00 O ATOM 791 CB VAL A 57 23.505 12.234 -21.071 1.00 0.00 C ATOM 792 CG1 VAL A 57 22.523 12.155 -22.229 1.00 0.00 C ATOM 793 CG2 VAL A 57 23.718 10.863 -20.448 1.00 0.00 C ATOM 0 H VAL A 57 24.342 14.422 -22.809 1.00 0.00 H new ATOM 0 HA VAL A 57 25.574 12.760 -20.738 1.00 0.00 H new ATOM 0 HB VAL A 57 23.084 12.890 -20.309 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.581 11.733 -21.879 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.348 13.155 -22.626 1.00 0.00 H new ATOM 0 HG13 VAL A 57 22.935 11.520 -23.013 1.00 0.00 H new ATOM 0 HG21 VAL A 57 22.760 10.460 -20.120 1.00 0.00 H new ATOM 0 HG22 VAL A 57 24.160 10.193 -21.185 1.00 0.00 H new ATOM 0 HG23 VAL A 57 24.387 10.952 -19.592 1.00 0.00 H new ATOM 803 N LEU A 58 26.533 12.356 -23.215 1.00 0.00 N ATOM 804 CA LEU A 58 27.114 11.659 -24.356 1.00 0.00 C ATOM 805 C LEU A 58 28.231 10.718 -23.919 1.00 0.00 C ATOM 806 O LEU A 58 28.734 10.810 -22.799 1.00 0.00 O ATOM 807 CB LEU A 58 27.651 12.657 -25.385 1.00 0.00 C ATOM 808 CG LEU A 58 27.987 14.044 -24.836 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.724 14.757 -24.381 1.00 0.00 C ATOM 810 CD2 LEU A 58 28.990 13.942 -23.695 1.00 0.00 C ATOM 0 H LEU A 58 27.116 13.099 -22.830 1.00 0.00 H new ATOM 0 HA LEU A 58 26.323 11.066 -24.815 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.548 12.237 -25.840 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.913 12.768 -26.179 1.00 0.00 H new ATOM 0 HG LEU A 58 28.441 14.629 -25.635 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.982 15.742 -23.993 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.043 14.866 -25.225 1.00 0.00 H new ATOM 0 HD13 LEU A 58 26.239 14.174 -23.598 1.00 0.00 H new ATOM 0 HD21 LEU A 58 29.216 14.940 -23.319 1.00 0.00 H new ATOM 0 HD22 LEU A 58 28.567 13.338 -22.892 1.00 0.00 H new ATOM 0 HD23 LEU A 58 29.906 13.475 -24.057 1.00 0.00 H new ATOM 822 N PRO A 59 28.631 9.794 -24.807 1.00 0.00 N ATOM 823 CA PRO A 59 28.044 9.669 -26.144 1.00 0.00 C ATOM 824 C PRO A 59 26.604 9.175 -26.108 1.00 0.00 C ATOM 825 O PRO A 59 26.264 8.270 -25.345 1.00 0.00 O ATOM 826 CB PRO A 59 28.926 8.628 -26.842 1.00 0.00 C ATOM 827 CG PRO A 59 30.137 8.484 -25.979 1.00 0.00 C ATOM 828 CD PRO A 59 29.687 8.801 -24.583 1.00 0.00 C ATOM 0 HA PRO A 59 28.012 10.634 -26.649 1.00 0.00 H new ATOM 0 HB2 PRO A 59 28.403 7.677 -26.945 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.197 8.954 -27.846 1.00 0.00 H new ATOM 0 HG2 PRO A 59 30.542 7.474 -26.039 1.00 0.00 H new ATOM 0 HG3 PRO A 59 30.927 9.163 -26.298 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.310 7.917 -24.068 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.499 9.202 -23.976 1.00 0.00 H new ATOM 836 N PHE A 60 25.768 9.764 -26.952 1.00 0.00 N ATOM 837 CA PHE A 60 24.367 9.378 -27.039 1.00 0.00 C ATOM 838 C PHE A 60 24.072 8.812 -28.423 1.00 0.00 C ATOM 839 O PHE A 60 24.974 8.692 -29.250 1.00 0.00 O ATOM 840 CB PHE A 60 23.457 10.576 -26.754 1.00 0.00 C ATOM 841 CG PHE A 60 23.890 11.838 -27.444 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.533 12.078 -28.760 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.652 12.782 -26.775 1.00 0.00 C ATOM 844 CE1 PHE A 60 23.928 13.238 -29.398 1.00 0.00 C ATOM 845 CE2 PHE A 60 25.050 13.944 -27.407 1.00 0.00 C ATOM 846 CZ PHE A 60 24.688 14.172 -28.720 1.00 0.00 C ATOM 0 H PHE A 60 26.038 10.514 -27.589 1.00 0.00 H new ATOM 0 HA PHE A 60 24.169 8.612 -26.289 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.441 10.332 -27.065 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.428 10.752 -25.679 1.00 0.00 H new ATOM 0 HD1 PHE A 60 22.939 11.351 -29.294 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.938 12.608 -25.748 1.00 0.00 H new ATOM 0 HE1 PHE A 60 23.643 13.415 -30.425 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.643 14.673 -26.875 1.00 0.00 H new ATOM 0 HZ PHE A 60 24.999 15.079 -29.217 1.00 0.00 H new ATOM 856 N THR A 61 22.816 8.466 -28.673 1.00 0.00 N ATOM 857 CA THR A 61 22.429 7.913 -29.965 1.00 0.00 C ATOM 858 C THR A 61 21.267 8.688 -30.570 1.00 0.00 C ATOM 859 O THR A 61 20.230 8.869 -29.932 1.00 0.00 O ATOM 860 CB THR A 61 22.042 6.427 -29.852 1.00 0.00 C ATOM 861 OG1 THR A 61 22.351 5.937 -28.542 1.00 0.00 O ATOM 862 CG2 THR A 61 22.777 5.600 -30.897 1.00 0.00 C ATOM 0 H THR A 61 22.052 8.557 -28.003 1.00 0.00 H new ATOM 0 HA THR A 61 23.298 8.002 -30.617 1.00 0.00 H new ATOM 0 HB THR A 61 20.970 6.337 -30.026 1.00 0.00 H new ATOM 0 HG1 THR A 61 22.100 4.992 -28.479 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.490 4.553 -30.800 1.00 0.00 H new ATOM 0 HG22 THR A 61 22.516 5.957 -31.893 1.00 0.00 H new ATOM 0 HG23 THR A 61 23.852 5.697 -30.747 1.00 0.00 H new ATOM 870 N TYR A 62 21.447 9.142 -31.805 1.00 0.00 N ATOM 871 CA TYR A 62 20.408 9.897 -32.496 1.00 0.00 C ATOM 872 C TYR A 62 20.438 9.619 -33.994 1.00 0.00 C ATOM 873 O TYR A 62 21.491 9.679 -34.627 1.00 0.00 O ATOM 874 CB TYR A 62 20.579 11.395 -32.243 1.00 0.00 C ATOM 875 CG TYR A 62 19.565 12.248 -32.973 1.00 0.00 C ATOM 876 CD1 TYR A 62 18.286 12.430 -32.462 1.00 0.00 C ATOM 877 CD2 TYR A 62 19.888 12.867 -34.173 1.00 0.00 C ATOM 878 CE1 TYR A 62 17.356 13.205 -33.129 1.00 0.00 C ATOM 879 CE2 TYR A 62 18.964 13.645 -34.845 1.00 0.00 C ATOM 880 CZ TYR A 62 17.700 13.810 -34.319 1.00 0.00 C ATOM 881 OH TYR A 62 16.776 14.583 -34.986 1.00 0.00 O ATOM 0 H TYR A 62 22.300 9.001 -32.347 1.00 0.00 H new ATOM 0 HA TYR A 62 19.443 9.577 -32.103 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.500 11.586 -31.173 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.582 11.695 -32.548 1.00 0.00 H new ATOM 0 HD1 TYR A 62 18.014 11.959 -31.529 1.00 0.00 H new ATOM 0 HD2 TYR A 62 20.877 12.739 -34.588 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.365 13.336 -32.720 1.00 0.00 H new ATOM 0 HE2 TYR A 62 19.231 14.121 -35.777 1.00 0.00 H new ATOM 0 HH TYR A 62 16.163 14.991 -34.339 1.00 0.00 H new ATOM 891 N ASN A 63 19.273 9.314 -34.554 1.00 0.00 N ATOM 892 CA ASN A 63 19.161 9.026 -35.978 1.00 0.00 C ATOM 893 C ASN A 63 19.824 7.695 -36.320 1.00 0.00 C ATOM 894 O ASN A 63 19.915 7.320 -37.489 1.00 0.00 O ATOM 895 CB ASN A 63 19.794 10.150 -36.798 1.00 0.00 C ATOM 896 CG ASN A 63 18.852 10.690 -37.856 1.00 0.00 C ATOM 897 OD1 ASN A 63 18.163 9.930 -38.536 1.00 0.00 O ATOM 898 ND2 ASN A 63 18.819 12.010 -38.001 1.00 0.00 N ATOM 0 H ASN A 63 18.392 9.260 -34.043 1.00 0.00 H new ATOM 0 HA ASN A 63 18.102 8.957 -36.226 1.00 0.00 H new ATOM 0 HB2 ASN A 63 20.091 10.960 -36.132 1.00 0.00 H new ATOM 0 HB3 ASN A 63 20.701 9.781 -37.276 1.00 0.00 H new ATOM 0 HD21 ASN A 63 18.205 12.431 -38.698 1.00 0.00 H new ATOM 0 HD22 ASN A 63 19.408 12.602 -37.415 1.00 0.00 H new ATOM 905 N GLY A 64 20.281 6.982 -35.295 1.00 0.00 N ATOM 906 CA GLY A 64 20.924 5.699 -35.515 1.00 0.00 C ATOM 907 C GLY A 64 22.426 5.749 -35.316 1.00 0.00 C ATOM 908 O GLY A 64 23.099 4.721 -35.374 1.00 0.00 O ATOM 0 H GLY A 64 20.218 7.269 -34.318 1.00 0.00 H new ATOM 0 HA2 GLY A 64 20.497 4.963 -34.834 1.00 0.00 H new ATOM 0 HA3 GLY A 64 20.708 5.359 -36.528 1.00 0.00 H new ATOM 912 N ARG A 65 22.957 6.946 -35.082 1.00 0.00 N ATOM 913 CA ARG A 65 24.391 7.114 -34.875 1.00 0.00 C ATOM 914 C ARG A 65 24.695 7.489 -33.428 1.00 0.00 C ATOM 915 O ARG A 65 23.875 7.273 -32.535 1.00 0.00 O ATOM 916 CB ARG A 65 24.949 8.180 -35.822 1.00 0.00 C ATOM 917 CG ARG A 65 24.561 9.600 -35.445 1.00 0.00 C ATOM 918 CD ARG A 65 24.738 10.552 -36.616 1.00 0.00 C ATOM 919 NE ARG A 65 23.483 10.791 -37.321 1.00 0.00 N ATOM 920 CZ ARG A 65 23.402 11.411 -38.494 1.00 0.00 C ATOM 921 NH1 ARG A 65 24.501 11.855 -39.090 1.00 0.00 N ATOM 922 NH2 ARG A 65 22.223 11.588 -39.075 1.00 0.00 N ATOM 0 H ARG A 65 22.418 7.810 -35.031 1.00 0.00 H new ATOM 0 HA ARG A 65 24.874 6.161 -35.092 1.00 0.00 H new ATOM 0 HB2 ARG A 65 26.036 8.103 -35.840 1.00 0.00 H new ATOM 0 HB3 ARG A 65 24.598 7.974 -36.833 1.00 0.00 H new ATOM 0 HG2 ARG A 65 23.523 9.619 -35.112 1.00 0.00 H new ATOM 0 HG3 ARG A 65 25.171 9.935 -34.606 1.00 0.00 H new ATOM 0 HD2 ARG A 65 25.137 11.500 -36.255 1.00 0.00 H new ATOM 0 HD3 ARG A 65 25.471 10.141 -37.310 1.00 0.00 H new ATOM 0 HE ARG A 65 22.619 10.464 -36.889 1.00 0.00 H new ATOM 0 HH11 ARG A 65 25.410 11.721 -38.648 1.00 0.00 H new ATOM 0 HH12 ARG A 65 24.436 12.330 -39.990 1.00 0.00 H new ATOM 0 HH21 ARG A 65 21.375 11.248 -38.622 1.00 0.00 H new ATOM 0 HH22 ARG A 65 22.164 12.064 -39.975 1.00 0.00 H new ATOM 936 N THR A 66 25.879 8.052 -33.204 1.00 0.00 N ATOM 937 CA THR A 66 26.293 8.452 -31.865 1.00 0.00 C ATOM 938 C THR A 66 27.129 9.727 -31.904 1.00 0.00 C ATOM 939 O THR A 66 27.881 9.960 -32.850 1.00 0.00 O ATOM 940 CB THR A 66 27.104 7.339 -31.171 1.00 0.00 C ATOM 941 OG1 THR A 66 26.336 6.129 -31.124 1.00 0.00 O ATOM 942 CG2 THR A 66 27.497 7.749 -29.759 1.00 0.00 C ATOM 0 H THR A 66 26.567 8.241 -33.933 1.00 0.00 H new ATOM 0 HA THR A 66 25.382 8.637 -31.295 1.00 0.00 H new ATOM 0 HB THR A 66 28.013 7.172 -31.749 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.859 5.427 -30.683 1.00 0.00 H new ATOM 0 HG21 THR A 66 28.068 6.946 -29.293 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.106 8.652 -29.799 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.599 7.943 -29.173 1.00 0.00 H new ATOM 950 N PHE A 67 26.986 10.555 -30.874 1.00 0.00 N ATOM 951 CA PHE A 67 27.722 11.811 -30.794 1.00 0.00 C ATOM 952 C PHE A 67 28.345 11.996 -29.413 1.00 0.00 C ATOM 953 O PHE A 67 27.690 11.789 -28.392 1.00 0.00 O ATOM 954 CB PHE A 67 26.789 12.983 -31.108 1.00 0.00 C ATOM 955 CG PHE A 67 25.822 12.698 -32.223 1.00 0.00 C ATOM 956 CD1 PHE A 67 24.904 11.665 -32.117 1.00 0.00 C ATOM 957 CD2 PHE A 67 25.835 13.463 -33.379 1.00 0.00 C ATOM 958 CE1 PHE A 67 24.016 11.401 -33.142 1.00 0.00 C ATOM 959 CE2 PHE A 67 24.949 13.202 -34.408 1.00 0.00 C ATOM 960 CZ PHE A 67 24.039 12.169 -34.289 1.00 0.00 C ATOM 0 H PHE A 67 26.367 10.378 -30.083 1.00 0.00 H new ATOM 0 HA PHE A 67 28.527 11.782 -31.529 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.229 13.242 -30.209 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.389 13.854 -31.372 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.883 11.060 -31.223 1.00 0.00 H new ATOM 0 HD2 PHE A 67 26.545 14.271 -33.477 1.00 0.00 H new ATOM 0 HE1 PHE A 67 23.304 10.594 -33.046 1.00 0.00 H new ATOM 0 HE2 PHE A 67 24.968 13.805 -35.304 1.00 0.00 H new ATOM 0 HZ PHE A 67 23.347 11.963 -35.092 1.00 0.00 H new ATOM 970 N TYR A 68 29.617 12.386 -29.390 1.00 0.00 N ATOM 971 CA TYR A 68 30.331 12.598 -28.135 1.00 0.00 C ATOM 972 C TYR A 68 29.994 13.962 -27.538 1.00 0.00 C ATOM 973 O TYR A 68 30.374 14.266 -26.407 1.00 0.00 O ATOM 974 CB TYR A 68 31.840 12.487 -28.360 1.00 0.00 C ATOM 975 CG TYR A 68 32.276 11.121 -28.838 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.525 9.994 -28.540 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.434 10.961 -29.587 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.911 8.743 -28.977 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.831 9.712 -30.027 1.00 0.00 C ATOM 980 CZ TYR A 68 33.065 8.606 -29.719 1.00 0.00 C ATOM 981 OH TYR A 68 33.455 7.360 -30.156 1.00 0.00 O ATOM 0 H TYR A 68 30.174 12.561 -30.226 1.00 0.00 H new ATOM 0 HA TYR A 68 30.016 11.827 -27.432 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.147 13.235 -29.091 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.357 12.720 -27.429 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.622 10.097 -27.956 1.00 0.00 H new ATOM 0 HD2 TYR A 68 34.034 11.826 -29.830 1.00 0.00 H new ATOM 0 HE1 TYR A 68 31.312 7.876 -28.739 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.735 9.602 -30.608 1.00 0.00 H new ATOM 0 HH TYR A 68 34.288 7.438 -30.666 1.00 0.00 H new ATOM 991 N SER A 69 29.276 14.777 -28.303 1.00 0.00 N ATOM 992 CA SER A 69 28.887 16.106 -27.847 1.00 0.00 C ATOM 993 C SER A 69 27.683 16.617 -28.626 1.00 0.00 C ATOM 994 O SER A 69 26.977 15.845 -29.275 1.00 0.00 O ATOM 995 CB SER A 69 30.054 17.084 -27.993 1.00 0.00 C ATOM 996 OG SER A 69 30.202 17.880 -26.829 1.00 0.00 O ATOM 0 H SER A 69 28.952 14.541 -29.241 1.00 0.00 H new ATOM 0 HA SER A 69 28.614 16.033 -26.794 1.00 0.00 H new ATOM 0 HB2 SER A 69 30.975 16.531 -28.179 1.00 0.00 H new ATOM 0 HB3 SER A 69 29.888 17.726 -28.858 1.00 0.00 H new ATOM 0 HG SER A 69 30.956 18.495 -26.947 1.00 0.00 H new ATOM 1002 N CYS A 70 27.456 17.922 -28.558 1.00 0.00 N ATOM 1003 CA CYS A 70 26.337 18.539 -29.257 1.00 0.00 C ATOM 1004 C CYS A 70 26.358 18.177 -30.737 1.00 0.00 C ATOM 1005 O CYS A 70 27.313 17.576 -31.227 1.00 0.00 O ATOM 1006 CB CYS A 70 26.378 20.057 -29.091 1.00 0.00 C ATOM 1007 SG CYS A 70 25.116 20.713 -27.952 1.00 0.00 S ATOM 0 H CYS A 70 28.032 18.574 -28.026 1.00 0.00 H new ATOM 0 HA CYS A 70 25.413 18.159 -28.820 1.00 0.00 H new ATOM 0 HB2 CYS A 70 27.365 20.346 -28.729 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.248 20.523 -30.068 1.00 0.00 H new ATOM 1012 N THR A 71 25.297 18.547 -31.441 1.00 0.00 N ATOM 1013 CA THR A 71 25.189 18.262 -32.865 1.00 0.00 C ATOM 1014 C THR A 71 23.933 18.891 -33.449 1.00 0.00 C ATOM 1015 O THR A 71 22.891 18.942 -32.794 1.00 0.00 O ATOM 1016 CB THR A 71 25.159 16.747 -33.135 1.00 0.00 C ATOM 1017 OG1 THR A 71 25.194 16.502 -34.546 1.00 0.00 O ATOM 1018 CG2 THR A 71 23.910 16.118 -32.537 1.00 0.00 C ATOM 0 H THR A 71 24.498 19.046 -31.049 1.00 0.00 H new ATOM 0 HA THR A 71 26.070 18.691 -33.343 1.00 0.00 H new ATOM 0 HB THR A 71 26.034 16.297 -32.666 1.00 0.00 H new ATOM 0 HG1 THR A 71 25.230 15.536 -34.710 1.00 0.00 H new ATOM 0 HG21 THR A 71 23.909 15.047 -32.740 1.00 0.00 H new ATOM 0 HG22 THR A 71 23.899 16.283 -31.460 1.00 0.00 H new ATOM 0 HG23 THR A 71 23.025 16.572 -32.983 1.00 0.00 H new ATOM 1026 N THR A 72 24.035 19.368 -34.682 1.00 0.00 N ATOM 1027 CA THR A 72 22.902 19.992 -35.348 1.00 0.00 C ATOM 1028 C THR A 72 22.328 19.075 -36.427 1.00 0.00 C ATOM 1029 O THR A 72 22.353 19.406 -37.613 1.00 0.00 O ATOM 1030 CB THR A 72 23.297 21.338 -35.984 1.00 0.00 C ATOM 1031 OG1 THR A 72 24.699 21.348 -36.281 1.00 0.00 O ATOM 1032 CG2 THR A 72 22.963 22.495 -35.052 1.00 0.00 C ATOM 0 H THR A 72 24.889 19.335 -35.239 1.00 0.00 H new ATOM 0 HA THR A 72 22.143 20.171 -34.587 1.00 0.00 H new ATOM 0 HB THR A 72 22.730 21.459 -36.907 1.00 0.00 H new ATOM 0 HG1 THR A 72 24.941 22.207 -36.687 1.00 0.00 H new ATOM 0 HG21 THR A 72 23.251 23.435 -35.522 1.00 0.00 H new ATOM 0 HG22 THR A 72 21.892 22.503 -34.851 1.00 0.00 H new ATOM 0 HG23 THR A 72 23.507 22.376 -34.115 1.00 0.00 H new ATOM 1040 N GLU A 73 21.816 17.920 -36.007 1.00 0.00 N ATOM 1041 CA GLU A 73 21.238 16.950 -36.937 1.00 0.00 C ATOM 1042 C GLU A 73 19.752 16.747 -36.664 1.00 0.00 C ATOM 1043 O GLU A 73 19.142 15.794 -37.151 1.00 0.00 O ATOM 1044 CB GLU A 73 21.964 15.612 -36.822 1.00 0.00 C ATOM 1045 CG GLU A 73 23.359 15.614 -37.426 1.00 0.00 C ATOM 1046 CD GLU A 73 23.392 15.017 -38.819 1.00 0.00 C ATOM 1047 OE1 GLU A 73 22.306 14.734 -39.369 1.00 0.00 O ATOM 1048 OE2 GLU A 73 24.501 14.833 -39.361 1.00 0.00 O ATOM 0 H GLU A 73 21.789 17.632 -35.029 1.00 0.00 H new ATOM 0 HA GLU A 73 21.356 17.343 -37.947 1.00 0.00 H new ATOM 0 HB2 GLU A 73 22.035 15.338 -35.769 1.00 0.00 H new ATOM 0 HB3 GLU A 73 21.367 14.843 -37.313 1.00 0.00 H new ATOM 0 HG2 GLU A 73 23.733 16.637 -37.464 1.00 0.00 H new ATOM 0 HG3 GLU A 73 24.032 15.053 -36.778 1.00 0.00 H new ATOM 1055 N GLY A 74 19.180 17.650 -35.884 1.00 0.00 N ATOM 1056 CA GLY A 74 17.772 17.567 -35.550 1.00 0.00 C ATOM 1057 C GLY A 74 17.340 18.678 -34.617 1.00 0.00 C ATOM 1058 O GLY A 74 17.077 18.443 -33.437 1.00 0.00 O ATOM 0 H GLY A 74 19.669 18.445 -35.473 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.180 17.612 -36.464 1.00 0.00 H new ATOM 0 HA3 GLY A 74 17.567 16.603 -35.084 1.00 0.00 H new ATOM 1122 N HIS A 79 21.096 25.331 -33.770 1.00 0.00 N ATOM 1123 CA HIS A 79 22.016 25.517 -32.655 1.00 0.00 C ATOM 1124 C HIS A 79 22.458 24.172 -32.092 1.00 0.00 C ATOM 1125 O HIS A 79 21.629 23.356 -31.690 1.00 0.00 O ATOM 1126 CB HIS A 79 21.357 26.349 -31.552 1.00 0.00 C ATOM 1127 CG HIS A 79 20.452 27.425 -32.066 1.00 0.00 C ATOM 1128 ND1 HIS A 79 19.245 27.738 -31.477 1.00 0.00 N ATOM 1129 CD2 HIS A 79 20.585 28.271 -33.116 1.00 0.00 C ATOM 1130 CE1 HIS A 79 18.675 28.727 -32.143 1.00 0.00 C ATOM 1131 NE2 HIS A 79 19.468 29.070 -33.140 1.00 0.00 N ATOM 0 HA HIS A 79 22.893 26.048 -33.025 1.00 0.00 H new ATOM 0 HB2 HIS A 79 20.786 25.686 -30.902 1.00 0.00 H new ATOM 0 HB3 HIS A 79 22.135 26.804 -30.939 1.00 0.00 H new ATOM 0 HD1 HIS A 79 18.853 27.278 -30.655 1.00 0.00 H new ATOM 0 HD2 HIS A 79 21.415 28.310 -33.806 1.00 0.00 H new ATOM 0 HE1 HIS A 79 17.722 29.178 -31.910 1.00 0.00 H new ATOM 1140 N LEU A 80 23.768 23.943 -32.059 1.00 0.00 N ATOM 1141 CA LEU A 80 24.303 22.691 -31.538 1.00 0.00 C ATOM 1142 C LEU A 80 23.513 22.254 -30.313 1.00 0.00 C ATOM 1143 O LEU A 80 23.395 23.002 -29.341 1.00 0.00 O ATOM 1144 CB LEU A 80 25.781 22.853 -31.175 1.00 0.00 C ATOM 1145 CG LEU A 80 26.766 22.276 -32.194 1.00 0.00 C ATOM 1146 CD1 LEU A 80 26.720 23.071 -33.490 1.00 0.00 C ATOM 1147 CD2 LEU A 80 28.177 22.265 -31.623 1.00 0.00 C ATOM 0 H LEU A 80 24.474 24.604 -32.385 1.00 0.00 H new ATOM 0 HA LEU A 80 24.213 21.927 -32.310 1.00 0.00 H new ATOM 0 HB2 LEU A 80 25.994 23.914 -31.048 1.00 0.00 H new ATOM 0 HB3 LEU A 80 25.957 22.375 -30.211 1.00 0.00 H new ATOM 0 HG LEU A 80 26.475 21.248 -32.412 1.00 0.00 H new ATOM 0 HD11 LEU A 80 27.427 22.646 -34.203 1.00 0.00 H new ATOM 0 HD12 LEU A 80 25.714 23.028 -33.907 1.00 0.00 H new ATOM 0 HD13 LEU A 80 26.986 24.109 -33.290 1.00 0.00 H new ATOM 0 HD21 LEU A 80 28.865 21.852 -32.361 1.00 0.00 H new ATOM 0 HD22 LEU A 80 28.478 23.283 -31.377 1.00 0.00 H new ATOM 0 HD23 LEU A 80 28.200 21.652 -30.722 1.00 0.00 H new ATOM 1159 N TRP A 81 22.955 21.050 -30.367 1.00 0.00 N ATOM 1160 CA TRP A 81 22.160 20.539 -29.259 1.00 0.00 C ATOM 1161 C TRP A 81 22.686 19.197 -28.756 1.00 0.00 C ATOM 1162 O TRP A 81 23.104 18.345 -29.540 1.00 0.00 O ATOM 1163 CB TRP A 81 20.700 20.398 -29.690 1.00 0.00 C ATOM 1164 CG TRP A 81 20.503 19.392 -30.780 1.00 0.00 C ATOM 1165 CD1 TRP A 81 20.356 19.644 -32.116 1.00 0.00 C ATOM 1166 CD2 TRP A 81 20.434 17.969 -30.630 1.00 0.00 C ATOM 1167 NE1 TRP A 81 20.198 18.465 -32.800 1.00 0.00 N ATOM 1168 CE2 TRP A 81 20.243 17.423 -31.912 1.00 0.00 C ATOM 1169 CE3 TRP A 81 20.517 17.104 -29.535 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 20.131 16.052 -32.129 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.407 15.744 -29.751 1.00 0.00 C ATOM 1172 CH2 TRP A 81 20.216 15.229 -31.039 1.00 0.00 C ATOM 0 H TRP A 81 23.038 20.414 -31.160 1.00 0.00 H new ATOM 0 HA TRP A 81 22.234 21.253 -28.438 1.00 0.00 H new ATOM 0 HB2 TRP A 81 20.099 20.112 -28.827 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.332 21.367 -30.027 1.00 0.00 H new ATOM 0 HD1 TRP A 81 20.363 20.626 -32.566 1.00 0.00 H new ATOM 0 HE1 TRP A 81 20.068 18.378 -33.808 1.00 0.00 H new ATOM 0 HE3 TRP A 81 20.664 17.492 -28.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 19.982 15.653 -33.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.469 15.067 -28.912 1.00 0.00 H new ATOM 0 HH2 TRP A 81 20.134 14.161 -31.175 1.00 0.00 H new ATOM 1183 N CYS A 82 22.653 19.018 -27.437 1.00 0.00 N ATOM 1184 CA CYS A 82 23.115 17.781 -26.813 1.00 0.00 C ATOM 1185 C CYS A 82 22.002 17.159 -25.977 1.00 0.00 C ATOM 1186 O CYS A 82 20.956 17.773 -25.769 1.00 0.00 O ATOM 1187 CB CYS A 82 24.338 18.049 -25.933 1.00 0.00 C ATOM 1188 SG CYS A 82 23.948 18.846 -24.340 1.00 0.00 S ATOM 0 H CYS A 82 22.310 19.717 -26.778 1.00 0.00 H new ATOM 0 HA CYS A 82 23.395 17.084 -27.603 1.00 0.00 H new ATOM 0 HB2 CYS A 82 24.847 17.105 -25.740 1.00 0.00 H new ATOM 0 HB3 CYS A 82 25.036 18.681 -26.482 1.00 0.00 H new ATOM 1193 N SER A 83 22.229 15.941 -25.495 1.00 0.00 N ATOM 1194 CA SER A 83 21.235 15.249 -24.680 1.00 0.00 C ATOM 1195 C SER A 83 21.572 15.367 -23.198 1.00 0.00 C ATOM 1196 O SER A 83 22.736 15.289 -22.811 1.00 0.00 O ATOM 1197 CB SER A 83 21.149 13.776 -25.082 1.00 0.00 C ATOM 1198 OG SER A 83 20.813 12.962 -23.972 1.00 0.00 O ATOM 0 H SER A 83 23.088 15.414 -25.653 1.00 0.00 H new ATOM 0 HA SER A 83 20.267 15.720 -24.853 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.402 13.653 -25.866 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.104 13.453 -25.498 1.00 0.00 H new ATOM 0 HG SER A 83 20.454 12.107 -24.290 1.00 0.00 H new ATOM 1204 N THR A 84 20.547 15.556 -22.370 1.00 0.00 N ATOM 1205 CA THR A 84 20.746 15.684 -20.933 1.00 0.00 C ATOM 1206 C THR A 84 20.631 14.329 -20.239 1.00 0.00 C ATOM 1207 O THR A 84 21.217 14.115 -19.177 1.00 0.00 O ATOM 1208 CB THR A 84 19.731 16.658 -20.307 1.00 0.00 C ATOM 1209 OG1 THR A 84 18.405 16.134 -20.439 1.00 0.00 O ATOM 1210 CG2 THR A 84 19.813 18.024 -20.972 1.00 0.00 C ATOM 0 H THR A 84 19.575 15.623 -22.670 1.00 0.00 H new ATOM 0 HA THR A 84 21.751 16.080 -20.788 1.00 0.00 H new ATOM 0 HB THR A 84 19.972 16.772 -19.250 1.00 0.00 H new ATOM 0 HG1 THR A 84 18.154 16.114 -21.386 1.00 0.00 H new ATOM 0 HG21 THR A 84 19.087 18.696 -20.514 1.00 0.00 H new ATOM 0 HG22 THR A 84 20.816 18.431 -20.844 1.00 0.00 H new ATOM 0 HG23 THR A 84 19.595 17.925 -22.035 1.00 0.00 H new ATOM 1218 N THR A 85 19.878 13.417 -20.847 1.00 0.00 N ATOM 1219 CA THR A 85 19.695 12.083 -20.285 1.00 0.00 C ATOM 1220 C THR A 85 20.051 11.003 -21.306 1.00 0.00 C ATOM 1221 O THR A 85 20.142 11.272 -22.503 1.00 0.00 O ATOM 1222 CB THR A 85 18.248 11.869 -19.792 1.00 0.00 C ATOM 1223 OG1 THR A 85 18.230 10.898 -18.738 1.00 0.00 O ATOM 1224 CG2 THR A 85 17.342 11.405 -20.924 1.00 0.00 C ATOM 0 H THR A 85 19.386 13.577 -21.726 1.00 0.00 H new ATOM 0 HA THR A 85 20.368 12.003 -19.432 1.00 0.00 H new ATOM 0 HB THR A 85 17.875 12.824 -19.421 1.00 0.00 H new ATOM 0 HG1 THR A 85 17.309 10.768 -18.429 1.00 0.00 H new ATOM 0 HG21 THR A 85 16.330 11.263 -20.545 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.332 12.157 -21.713 1.00 0.00 H new ATOM 0 HG23 THR A 85 17.715 10.463 -21.325 1.00 0.00 H new ATOM 1232 N SER A 86 20.245 9.782 -20.822 1.00 0.00 N ATOM 1233 CA SER A 86 20.587 8.663 -21.691 1.00 0.00 C ATOM 1234 C SER A 86 19.538 8.479 -22.780 1.00 0.00 C ATOM 1235 O SER A 86 19.867 8.328 -23.956 1.00 0.00 O ATOM 1236 CB SER A 86 20.720 7.378 -20.872 1.00 0.00 C ATOM 1237 OG SER A 86 20.735 6.237 -21.712 1.00 0.00 O ATOM 0 H SER A 86 20.171 9.542 -19.833 1.00 0.00 H new ATOM 0 HA SER A 86 21.542 8.884 -22.167 1.00 0.00 H new ATOM 0 HB2 SER A 86 21.636 7.412 -20.283 1.00 0.00 H new ATOM 0 HB3 SER A 86 19.891 7.304 -20.168 1.00 0.00 H new ATOM 0 HG SER A 86 20.822 5.429 -21.165 1.00 0.00 H new ATOM 1243 N ASN A 87 18.272 8.494 -22.379 1.00 0.00 N ATOM 1244 CA ASN A 87 17.171 8.330 -23.319 1.00 0.00 C ATOM 1245 C ASN A 87 16.592 9.683 -23.717 1.00 0.00 C ATOM 1246 O ASN A 87 15.673 10.189 -23.072 1.00 0.00 O ATOM 1247 CB ASN A 87 16.077 7.455 -22.706 1.00 0.00 C ATOM 1248 CG ASN A 87 15.756 6.246 -23.560 1.00 0.00 C ATOM 1249 OD1 ASN A 87 15.864 5.106 -23.108 1.00 0.00 O ATOM 1250 ND2 ASN A 87 15.359 6.488 -24.804 1.00 0.00 N ATOM 0 H ASN A 87 17.983 8.618 -21.409 1.00 0.00 H new ATOM 0 HA ASN A 87 17.558 7.842 -24.214 1.00 0.00 H new ATOM 0 HB2 ASN A 87 16.393 7.124 -21.717 1.00 0.00 H new ATOM 0 HB3 ASN A 87 15.174 8.050 -22.570 1.00 0.00 H new ATOM 0 HD21 ASN A 87 15.130 5.713 -25.426 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.283 7.449 -25.137 1.00 0.00 H new ATOM 1257 N TYR A 88 17.133 10.264 -24.783 1.00 0.00 N ATOM 1258 CA TYR A 88 16.666 11.556 -25.264 1.00 0.00 C ATOM 1259 C TYR A 88 15.389 11.401 -26.079 1.00 0.00 C ATOM 1260 O TYR A 88 14.580 12.325 -26.169 1.00 0.00 O ATOM 1261 CB TYR A 88 17.746 12.230 -26.112 1.00 0.00 C ATOM 1262 CG TYR A 88 17.221 13.352 -26.976 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.811 14.553 -26.413 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.134 13.209 -28.355 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.330 15.582 -27.199 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.654 14.234 -29.149 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.254 15.417 -28.567 1.00 0.00 C ATOM 1268 OH TYR A 88 15.775 16.439 -29.353 1.00 0.00 O ATOM 0 H TYR A 88 17.894 9.860 -25.329 1.00 0.00 H new ATOM 0 HA TYR A 88 16.451 12.182 -24.398 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.522 12.621 -25.454 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.216 11.481 -26.749 1.00 0.00 H new ATOM 0 HD1 TYR A 88 16.869 14.685 -25.343 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.446 12.283 -28.814 1.00 0.00 H new ATOM 0 HE1 TYR A 88 16.015 16.510 -26.746 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.593 14.108 -30.220 1.00 0.00 H new ATOM 0 HH TYR A 88 16.076 17.299 -28.991 1.00 0.00 H new ATOM 1278 N GLU A 89 15.213 10.225 -26.671 1.00 0.00 N ATOM 1279 CA GLU A 89 14.031 9.949 -27.478 1.00 0.00 C ATOM 1280 C GLU A 89 12.851 9.550 -26.601 1.00 0.00 C ATOM 1281 O GLU A 89 11.806 9.135 -27.102 1.00 0.00 O ATOM 1282 CB GLU A 89 14.326 8.843 -28.493 1.00 0.00 C ATOM 1283 CG GLU A 89 15.107 9.323 -29.705 1.00 0.00 C ATOM 1284 CD GLU A 89 14.544 10.603 -30.292 1.00 0.00 C ATOM 1285 OE1 GLU A 89 13.325 10.835 -30.150 1.00 0.00 O ATOM 1286 OE2 GLU A 89 15.322 11.374 -30.893 1.00 0.00 O ATOM 0 H GLU A 89 15.872 9.449 -26.607 1.00 0.00 H new ATOM 0 HA GLU A 89 13.768 10.862 -28.013 1.00 0.00 H new ATOM 0 HB2 GLU A 89 14.888 8.049 -28.000 1.00 0.00 H new ATOM 0 HB3 GLU A 89 13.384 8.407 -28.827 1.00 0.00 H new ATOM 0 HG2 GLU A 89 16.147 9.484 -29.422 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.101 8.545 -30.468 1.00 0.00 H new ATOM 1293 N GLN A 90 13.021 9.677 -25.288 1.00 0.00 N ATOM 1294 CA GLN A 90 11.967 9.329 -24.344 1.00 0.00 C ATOM 1295 C GLN A 90 11.596 10.531 -23.479 1.00 0.00 C ATOM 1296 O GLN A 90 10.426 10.895 -23.371 1.00 0.00 O ATOM 1297 CB GLN A 90 12.410 8.155 -23.463 1.00 0.00 C ATOM 1298 CG GLN A 90 11.765 8.134 -22.087 1.00 0.00 C ATOM 1299 CD GLN A 90 10.292 7.773 -22.138 1.00 0.00 C ATOM 1300 OE1 GLN A 90 9.891 6.859 -22.859 1.00 0.00 O ATOM 1301 NE2 GLN A 90 9.480 8.489 -21.369 1.00 0.00 N ATOM 0 H GLN A 90 13.879 10.018 -24.855 1.00 0.00 H new ATOM 0 HA GLN A 90 11.085 9.030 -24.910 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.177 7.222 -23.976 1.00 0.00 H new ATOM 0 HB3 GLN A 90 13.493 8.192 -23.344 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.289 7.417 -21.455 1.00 0.00 H new ATOM 0 HG3 GLN A 90 11.879 9.113 -21.621 1.00 0.00 H new ATOM 0 HE21 GLN A 90 9.857 9.237 -20.787 1.00 0.00 H new ATOM 0 HE22 GLN A 90 8.480 8.291 -21.360 1.00 0.00 H new ATOM 1310 N ASP A 91 12.605 11.140 -22.869 1.00 0.00 N ATOM 1311 CA ASP A 91 12.391 12.301 -22.013 1.00 0.00 C ATOM 1312 C ASP A 91 12.131 13.549 -22.849 1.00 0.00 C ATOM 1313 O ASP A 91 11.170 14.280 -22.610 1.00 0.00 O ATOM 1314 CB ASP A 91 13.604 12.523 -21.107 1.00 0.00 C ATOM 1315 CG ASP A 91 13.733 11.453 -20.040 1.00 0.00 C ATOM 1316 OD1 ASP A 91 13.319 10.303 -20.299 1.00 0.00 O ATOM 1317 OD2 ASP A 91 14.249 11.764 -18.947 1.00 0.00 O ATOM 0 H ASP A 91 13.579 10.850 -22.951 1.00 0.00 H new ATOM 0 HA ASP A 91 11.515 12.110 -21.394 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.509 12.538 -21.714 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.524 13.500 -20.630 1.00 0.00 H new ATOM 1322 N GLN A 92 12.996 13.782 -23.830 1.00 0.00 N ATOM 1323 CA GLN A 92 12.869 14.939 -24.710 1.00 0.00 C ATOM 1324 C GLN A 92 13.439 16.192 -24.054 1.00 0.00 C ATOM 1325 O GLN A 92 12.898 17.286 -24.206 1.00 0.00 O ATOM 1326 CB GLN A 92 11.403 15.170 -25.084 1.00 0.00 C ATOM 1327 CG GLN A 92 11.219 16.128 -26.250 1.00 0.00 C ATOM 1328 CD GLN A 92 11.043 15.410 -27.573 1.00 0.00 C ATOM 1329 OE1 GLN A 92 11.702 15.734 -28.561 1.00 0.00 O ATOM 1330 NE2 GLN A 92 10.149 14.428 -27.599 1.00 0.00 N ATOM 0 H GLN A 92 13.795 13.183 -24.037 1.00 0.00 H new ATOM 0 HA GLN A 92 13.440 14.733 -25.616 1.00 0.00 H new ATOM 0 HB2 GLN A 92 10.945 14.213 -25.334 1.00 0.00 H new ATOM 0 HB3 GLN A 92 10.872 15.560 -24.216 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.349 16.758 -26.064 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.083 16.789 -26.312 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.625 14.193 -26.756 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.987 13.909 -28.462 1.00 0.00 H new ATOM 1339 N LYS A 93 14.539 16.023 -23.327 1.00 0.00 N ATOM 1340 CA LYS A 93 15.186 17.140 -22.652 1.00 0.00 C ATOM 1341 C LYS A 93 16.628 17.288 -23.126 1.00 0.00 C ATOM 1342 O LYS A 93 17.531 16.603 -22.643 1.00 0.00 O ATOM 1343 CB LYS A 93 15.144 16.958 -21.131 1.00 0.00 C ATOM 1344 CG LYS A 93 14.706 15.572 -20.679 1.00 0.00 C ATOM 1345 CD LYS A 93 15.900 14.660 -20.466 1.00 0.00 C ATOM 1346 CE LYS A 93 16.362 14.687 -19.019 1.00 0.00 C ATOM 1347 NZ LYS A 93 15.726 13.610 -18.213 1.00 0.00 N ATOM 0 H LYS A 93 15.000 15.123 -23.191 1.00 0.00 H new ATOM 0 HA LYS A 93 14.640 18.049 -22.904 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.134 17.164 -20.724 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.465 17.697 -20.707 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.137 15.652 -19.753 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.041 15.137 -21.425 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.637 13.640 -20.747 1.00 0.00 H new ATOM 0 HD3 LYS A 93 16.718 14.969 -21.117 1.00 0.00 H new ATOM 0 HE2 LYS A 93 17.446 14.576 -18.982 1.00 0.00 H new ATOM 0 HE3 LYS A 93 16.125 15.656 -18.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.076 14.033 -17.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.195 12.973 -18.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 16.461 13.070 -17.714 1.00 0.00 H new ATOM 1361 N TYR A 94 16.830 18.183 -24.087 1.00 0.00 N ATOM 1362 CA TYR A 94 18.151 18.424 -24.649 1.00 0.00 C ATOM 1363 C TYR A 94 18.678 19.803 -24.261 1.00 0.00 C ATOM 1364 O TYR A 94 17.975 20.596 -23.635 1.00 0.00 O ATOM 1365 CB TYR A 94 18.094 18.308 -26.173 1.00 0.00 C ATOM 1366 CG TYR A 94 17.330 19.434 -26.833 1.00 0.00 C ATOM 1367 CD1 TYR A 94 17.845 20.725 -26.859 1.00 0.00 C ATOM 1368 CD2 TYR A 94 16.094 19.209 -27.425 1.00 0.00 C ATOM 1369 CE1 TYR A 94 17.149 21.759 -27.456 1.00 0.00 C ATOM 1370 CE2 TYR A 94 15.392 20.239 -28.025 1.00 0.00 C ATOM 1371 CZ TYR A 94 15.925 21.511 -28.038 1.00 0.00 C ATOM 1372 OH TYR A 94 15.229 22.537 -28.633 1.00 0.00 O ATOM 0 H TYR A 94 16.090 18.756 -24.494 1.00 0.00 H new ATOM 0 HA TYR A 94 18.831 17.674 -24.245 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.110 18.289 -26.567 1.00 0.00 H new ATOM 0 HB3 TYR A 94 17.630 17.359 -26.441 1.00 0.00 H new ATOM 0 HD1 TYR A 94 18.805 20.923 -26.405 1.00 0.00 H new ATOM 0 HD2 TYR A 94 15.674 18.214 -27.417 1.00 0.00 H new ATOM 0 HE1 TYR A 94 17.563 22.757 -27.466 1.00 0.00 H new ATOM 0 HE2 TYR A 94 14.432 20.048 -28.481 1.00 0.00 H new ATOM 0 HH TYR A 94 14.386 22.193 -28.996 1.00 0.00 H new ATOM 1382 N SER A 95 19.918 20.078 -24.651 1.00 0.00 N ATOM 1383 CA SER A 95 20.553 21.358 -24.362 1.00 0.00 C ATOM 1384 C SER A 95 21.203 21.919 -25.623 1.00 0.00 C ATOM 1385 O SER A 95 21.150 21.294 -26.681 1.00 0.00 O ATOM 1386 CB SER A 95 21.603 21.196 -23.261 1.00 0.00 C ATOM 1387 OG SER A 95 21.691 19.847 -22.833 1.00 0.00 O ATOM 0 H SER A 95 20.506 19.427 -25.171 1.00 0.00 H new ATOM 0 HA SER A 95 19.788 22.054 -24.017 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.574 21.528 -23.629 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.348 21.833 -22.414 1.00 0.00 H new ATOM 0 HG SER A 95 22.156 19.317 -23.514 1.00 0.00 H new ATOM 1393 N PHE A 96 21.818 23.092 -25.508 1.00 0.00 N ATOM 1394 CA PHE A 96 22.478 23.718 -26.650 1.00 0.00 C ATOM 1395 C PHE A 96 23.979 23.830 -26.416 1.00 0.00 C ATOM 1396 O PHE A 96 24.480 23.481 -25.347 1.00 0.00 O ATOM 1397 CB PHE A 96 21.895 25.105 -26.920 1.00 0.00 C ATOM 1398 CG PHE A 96 20.652 25.087 -27.766 1.00 0.00 C ATOM 1399 CD1 PHE A 96 20.539 24.218 -28.839 1.00 0.00 C ATOM 1400 CD2 PHE A 96 19.597 25.944 -27.488 1.00 0.00 C ATOM 1401 CE1 PHE A 96 19.399 24.203 -29.620 1.00 0.00 C ATOM 1402 CE2 PHE A 96 18.455 25.933 -28.266 1.00 0.00 C ATOM 1403 CZ PHE A 96 18.356 25.062 -29.333 1.00 0.00 C ATOM 0 H PHE A 96 21.873 23.626 -24.641 1.00 0.00 H new ATOM 0 HA PHE A 96 22.304 23.085 -27.520 1.00 0.00 H new ATOM 0 HB2 PHE A 96 21.668 25.585 -25.968 1.00 0.00 H new ATOM 0 HB3 PHE A 96 22.650 25.717 -27.414 1.00 0.00 H new ATOM 0 HD1 PHE A 96 21.351 23.544 -29.068 1.00 0.00 H new ATOM 0 HD2 PHE A 96 19.669 26.627 -26.655 1.00 0.00 H new ATOM 0 HE1 PHE A 96 19.324 23.521 -30.454 1.00 0.00 H new ATOM 0 HE2 PHE A 96 17.640 26.605 -28.040 1.00 0.00 H new ATOM 0 HZ PHE A 96 17.464 25.052 -29.942 1.00 0.00 H new ATOM 1413 N CYS A 97 24.689 24.327 -27.424 1.00 0.00 N ATOM 1414 CA CYS A 97 26.137 24.496 -27.340 1.00 0.00 C ATOM 1415 C CYS A 97 26.626 25.518 -28.361 1.00 0.00 C ATOM 1416 O CYS A 97 27.047 25.156 -29.460 1.00 0.00 O ATOM 1417 CB CYS A 97 26.852 23.163 -27.574 1.00 0.00 C ATOM 1418 SG CYS A 97 26.193 21.773 -26.599 1.00 0.00 S ATOM 0 H CYS A 97 24.284 24.621 -28.313 1.00 0.00 H new ATOM 0 HA CYS A 97 26.369 24.856 -26.338 1.00 0.00 H new ATOM 0 HB2 CYS A 97 26.787 22.911 -28.633 1.00 0.00 H new ATOM 0 HB3 CYS A 97 27.909 23.286 -27.340 1.00 0.00 H new ATOM 1423 N THR A 98 26.572 26.794 -27.995 1.00 0.00 N ATOM 1424 CA THR A 98 27.017 27.859 -28.886 1.00 0.00 C ATOM 1425 C THR A 98 28.304 27.464 -29.599 1.00 0.00 C ATOM 1426 O THR A 98 28.516 27.811 -30.761 1.00 0.00 O ATOM 1427 CB THR A 98 27.250 29.175 -28.121 1.00 0.00 C ATOM 1428 OG1 THR A 98 28.156 30.012 -28.851 1.00 0.00 O ATOM 1429 CG2 THR A 98 27.811 28.901 -26.733 1.00 0.00 C ATOM 0 H THR A 98 26.226 27.115 -27.091 1.00 0.00 H new ATOM 0 HA THR A 98 26.225 28.014 -29.619 1.00 0.00 H new ATOM 0 HB THR A 98 26.292 29.683 -28.015 1.00 0.00 H new ATOM 0 HG1 THR A 98 28.298 30.848 -28.359 1.00 0.00 H new ATOM 0 HG21 THR A 98 27.968 29.845 -26.211 1.00 0.00 H new ATOM 0 HG22 THR A 98 27.107 28.288 -26.171 1.00 0.00 H new ATOM 0 HG23 THR A 98 28.761 28.374 -26.822 1.00 0.00 H new