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 87 ASN : amide:sc= -4.16! C(o=-8.1!,f=-7.9!) USER MOD Set 1.2: A 90 GLN : amide:sc= -3.92! X(o=-8.1!,f=-7.9) USER MOD Set 2.1: A 51 SER OG : rot -128:sc= -0.224 USER MOD Set 2.2: A 84 THR OG1 : rot 146:sc= -0.188 USER MOD Set 2.3: A 85 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 3 HIS : no HD1:sc= -5.34! C(o=-7.6!,f=-8.4!) USER MOD Set 3.2: A 13 SER OG : rot -119:sc= -2.27! USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.841! USER MOD Single : A 8 SER OG : rot -59:sc= 0.924 USER MOD Single : A 12 TYR OH : rot -88:sc= 1.45 USER MOD Single : A 16 MET CE :methyl -135:sc= -0.34 (180deg=-1.15) USER MOD Single : A 17 GLN : amide:sc= -0.643 K(o=-0.64,f=0) USER MOD Single : A 20 LYS NZ :NH3+ 148:sc= -0.851 (180deg=-2.22!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 MET CE :methyl -158:sc= -0.0337 (180deg=-0.275) USER MOD Single : A 30 THR OG1 : rot -30:sc= -1.78! USER MOD Single : A 34 ASN : amide:sc= -2.37! C(o=-2.4!,f=-5.7!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.257 X(o=-0.26,f=0) USER MOD Single : A 46 THR OG1 : rot -120:sc= -1.5! USER MOD Single : A 47 TYR OH : rot -156:sc= 0.0513 USER MOD Single : A 50 ASN : amide:sc= -0.628 K(o=-0.63,f=1.2) USER MOD Single : A 52 ASN : amide:sc= -0.766 K(o=-0.77,f=-1.3) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -0.393 USER MOD Single : A 63 ASN : amide:sc= -0.0112 K(o=-0.011,f=-0.65) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 165:sc=-0.00677 USER MOD Single : A 69 SER OG : rot 180:sc= -0.287 USER MOD Single : A 71 THR OG1 : rot 177:sc= -0.0082 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.0713 X(o=-0.071,f=-0.5) USER MOD Single : A 83 SER OG : rot 20:sc= -0.889 USER MOD Single : A 86 SER OG : rot 180:sc= -0.129 USER MOD Single : A 88 TYR OH : rot 180:sc= -0.168 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ 171:sc= 0.0459 (180deg=0.031) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 96:sc= -1.91! USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 49.709 6.842 -39.747 1.00 0.00 N ATOM 32 CA HIS A 3 48.717 6.318 -38.816 1.00 0.00 C ATOM 33 C HIS A 3 48.887 6.943 -37.436 1.00 0.00 C ATOM 34 O HIS A 3 49.938 7.504 -37.125 1.00 0.00 O ATOM 35 CB HIS A 3 48.835 4.795 -38.715 1.00 0.00 C ATOM 36 CG HIS A 3 47.974 4.063 -39.695 1.00 0.00 C ATOM 37 ND1 HIS A 3 47.978 4.332 -41.048 1.00 0.00 N ATOM 38 CD2 HIS A 3 47.077 3.065 -39.515 1.00 0.00 C ATOM 39 CE1 HIS A 3 47.120 3.531 -41.656 1.00 0.00 C ATOM 40 NE2 HIS A 3 46.560 2.754 -40.749 1.00 0.00 N ATOM 0 HA HIS A 3 47.728 6.575 -39.195 1.00 0.00 H new ATOM 0 HB2 HIS A 3 49.875 4.508 -38.872 1.00 0.00 H new ATOM 0 HB3 HIS A 3 48.567 4.484 -37.705 1.00 0.00 H new ATOM 0 HD2 HIS A 3 46.816 2.600 -38.576 1.00 0.00 H new ATOM 0 HE1 HIS A 3 46.913 3.515 -42.716 1.00 0.00 H new ATOM 0 HE2 HIS A 3 45.857 2.038 -40.934 1.00 0.00 H new ATOM 49 N CYS A 4 47.849 6.844 -36.613 1.00 0.00 N ATOM 50 CA CYS A 4 47.892 7.404 -35.265 1.00 0.00 C ATOM 51 C CYS A 4 47.982 6.301 -34.216 1.00 0.00 C ATOM 52 O CYS A 4 47.348 5.255 -34.344 1.00 0.00 O ATOM 53 CB CYS A 4 46.659 8.273 -35.003 1.00 0.00 C ATOM 54 SG CYS A 4 45.244 7.916 -36.098 1.00 0.00 S ATOM 0 H CYS A 4 46.971 6.384 -36.853 1.00 0.00 H new ATOM 0 HA CYS A 4 48.785 8.025 -35.191 1.00 0.00 H new ATOM 0 HB2 CYS A 4 46.346 8.137 -33.968 1.00 0.00 H new ATOM 0 HB3 CYS A 4 46.936 9.321 -35.117 1.00 0.00 H new ATOM 59 N VAL A 5 48.771 6.547 -33.176 1.00 0.00 N ATOM 60 CA VAL A 5 48.944 5.578 -32.101 1.00 0.00 C ATOM 61 C VAL A 5 48.885 6.260 -30.738 1.00 0.00 C ATOM 62 O VAL A 5 48.925 7.487 -30.643 1.00 0.00 O ATOM 63 CB VAL A 5 50.284 4.829 -32.225 1.00 0.00 C ATOM 64 CG1 VAL A 5 50.095 3.506 -32.952 1.00 0.00 C ATOM 65 CG2 VAL A 5 51.316 5.695 -32.933 1.00 0.00 C ATOM 0 H VAL A 5 49.301 7.410 -33.055 1.00 0.00 H new ATOM 0 HA VAL A 5 48.127 4.861 -32.188 1.00 0.00 H new ATOM 0 HB VAL A 5 50.652 4.613 -31.222 1.00 0.00 H new ATOM 0 HG11 VAL A 5 51.054 2.993 -33.029 1.00 0.00 H new ATOM 0 HG12 VAL A 5 49.393 2.883 -32.397 1.00 0.00 H new ATOM 0 HG13 VAL A 5 49.702 3.693 -33.951 1.00 0.00 H new ATOM 0 HG21 VAL A 5 52.256 5.150 -33.012 1.00 0.00 H new ATOM 0 HG22 VAL A 5 50.957 5.946 -33.931 1.00 0.00 H new ATOM 0 HG23 VAL A 5 51.474 6.611 -32.364 1.00 0.00 H new ATOM 75 N THR A 6 48.791 5.456 -29.687 1.00 0.00 N ATOM 76 CA THR A 6 48.728 5.981 -28.328 1.00 0.00 C ATOM 77 C THR A 6 50.081 5.862 -27.635 1.00 0.00 C ATOM 78 O THR A 6 50.659 6.859 -27.203 1.00 0.00 O ATOM 79 CB THR A 6 47.667 5.243 -27.491 1.00 0.00 C ATOM 80 OG1 THR A 6 48.275 4.166 -26.768 1.00 0.00 O ATOM 81 CG2 THR A 6 46.558 4.701 -28.381 1.00 0.00 C ATOM 0 H THR A 6 48.757 4.438 -29.749 1.00 0.00 H new ATOM 0 HA THR A 6 48.451 7.033 -28.404 1.00 0.00 H new ATOM 0 HB THR A 6 47.233 5.953 -26.787 1.00 0.00 H new ATOM 0 HG1 THR A 6 47.594 3.703 -26.237 1.00 0.00 H new ATOM 0 HG21 THR A 6 45.820 4.184 -27.768 1.00 0.00 H new ATOM 0 HG22 THR A 6 46.078 5.526 -28.908 1.00 0.00 H new ATOM 0 HG23 THR A 6 46.980 4.005 -29.105 1.00 0.00 H new ATOM 89 N ASP A 7 50.581 4.636 -27.540 1.00 0.00 N ATOM 90 CA ASP A 7 51.868 4.378 -26.906 1.00 0.00 C ATOM 91 C ASP A 7 52.549 3.174 -27.547 1.00 0.00 C ATOM 92 O ASP A 7 53.758 3.180 -27.777 1.00 0.00 O ATOM 93 CB ASP A 7 51.685 4.142 -25.405 1.00 0.00 C ATOM 94 CG ASP A 7 51.327 5.411 -24.659 1.00 0.00 C ATOM 95 OD1 ASP A 7 50.123 5.736 -24.584 1.00 0.00 O ATOM 96 OD2 ASP A 7 52.249 6.081 -24.150 1.00 0.00 O ATOM 0 H ASP A 7 50.113 3.802 -27.895 1.00 0.00 H new ATOM 0 HA ASP A 7 52.502 5.253 -27.049 1.00 0.00 H new ATOM 0 HB2 ASP A 7 50.902 3.400 -25.250 1.00 0.00 H new ATOM 0 HB3 ASP A 7 52.604 3.727 -24.991 1.00 0.00 H new ATOM 101 N SER A 8 51.761 2.145 -27.833 1.00 0.00 N ATOM 102 CA SER A 8 52.277 0.930 -28.451 1.00 0.00 C ATOM 103 C SER A 8 51.301 -0.229 -28.267 1.00 0.00 C ATOM 104 O SER A 8 51.708 -1.368 -28.038 1.00 0.00 O ATOM 105 CB SER A 8 53.640 0.571 -27.860 1.00 0.00 C ATOM 106 OG SER A 8 53.965 -0.785 -28.110 1.00 0.00 O ATOM 0 H SER A 8 50.758 2.128 -27.646 1.00 0.00 H new ATOM 0 HA SER A 8 52.394 1.114 -29.519 1.00 0.00 H new ATOM 0 HB2 SER A 8 54.407 1.217 -28.288 1.00 0.00 H new ATOM 0 HB3 SER A 8 53.633 0.754 -26.786 1.00 0.00 H new ATOM 0 HG SER A 8 53.281 -1.364 -27.713 1.00 0.00 H new ATOM 112 N GLY A 9 50.011 0.073 -28.371 1.00 0.00 N ATOM 113 CA GLY A 9 48.993 -0.950 -28.219 1.00 0.00 C ATOM 114 C GLY A 9 47.960 -0.899 -29.325 1.00 0.00 C ATOM 115 O GLY A 9 47.460 -1.933 -29.768 1.00 0.00 O ATOM 0 H GLY A 9 49.652 1.009 -28.558 1.00 0.00 H new ATOM 0 HA2 GLY A 9 49.466 -1.932 -28.211 1.00 0.00 H new ATOM 0 HA3 GLY A 9 48.498 -0.827 -27.256 1.00 0.00 H new ATOM 119 N VAL A 10 47.643 0.310 -29.776 1.00 0.00 N ATOM 120 CA VAL A 10 46.667 0.501 -30.840 1.00 0.00 C ATOM 121 C VAL A 10 47.326 1.089 -32.083 1.00 0.00 C ATOM 122 O VAL A 10 48.438 1.614 -32.019 1.00 0.00 O ATOM 123 CB VAL A 10 45.522 1.429 -30.391 1.00 0.00 C ATOM 124 CG1 VAL A 10 44.234 1.085 -31.122 1.00 0.00 C ATOM 125 CG2 VAL A 10 45.328 1.347 -28.885 1.00 0.00 C ATOM 0 H VAL A 10 48.050 1.174 -29.419 1.00 0.00 H new ATOM 0 HA VAL A 10 46.256 -0.480 -31.077 1.00 0.00 H new ATOM 0 HB VAL A 10 45.791 2.454 -30.644 1.00 0.00 H new ATOM 0 HG11 VAL A 10 43.438 1.752 -30.790 1.00 0.00 H new ATOM 0 HG12 VAL A 10 44.382 1.203 -32.195 1.00 0.00 H new ATOM 0 HG13 VAL A 10 43.957 0.053 -30.905 1.00 0.00 H new ATOM 0 HG21 VAL A 10 44.515 2.009 -28.586 1.00 0.00 H new ATOM 0 HG22 VAL A 10 45.083 0.322 -28.605 1.00 0.00 H new ATOM 0 HG23 VAL A 10 46.247 1.651 -28.383 1.00 0.00 H new ATOM 135 N VAL A 11 46.634 1.000 -33.213 1.00 0.00 N ATOM 136 CA VAL A 11 47.153 1.524 -34.470 1.00 0.00 C ATOM 137 C VAL A 11 46.055 2.218 -35.265 1.00 0.00 C ATOM 138 O VAL A 11 45.444 1.624 -36.154 1.00 0.00 O ATOM 139 CB VAL A 11 47.772 0.410 -35.333 1.00 0.00 C ATOM 140 CG1 VAL A 11 48.313 0.981 -36.634 1.00 0.00 C ATOM 141 CG2 VAL A 11 48.867 -0.315 -34.564 1.00 0.00 C ATOM 0 H VAL A 11 45.712 0.570 -33.284 1.00 0.00 H new ATOM 0 HA VAL A 11 47.929 2.246 -34.217 1.00 0.00 H new ATOM 0 HB VAL A 11 46.992 -0.312 -35.577 1.00 0.00 H new ATOM 0 HG11 VAL A 11 48.747 0.179 -37.231 1.00 0.00 H new ATOM 0 HG12 VAL A 11 47.502 1.450 -37.191 1.00 0.00 H new ATOM 0 HG13 VAL A 11 49.079 1.725 -36.414 1.00 0.00 H new ATOM 0 HG21 VAL A 11 49.293 -1.099 -35.190 1.00 0.00 H new ATOM 0 HG22 VAL A 11 49.648 0.394 -34.288 1.00 0.00 H new ATOM 0 HG23 VAL A 11 48.445 -0.759 -33.662 1.00 0.00 H new ATOM 151 N TYR A 12 45.808 3.480 -34.936 1.00 0.00 N ATOM 152 CA TYR A 12 44.782 4.263 -35.611 1.00 0.00 C ATOM 153 C TYR A 12 45.286 4.791 -36.950 1.00 0.00 C ATOM 154 O TYR A 12 46.383 4.452 -37.392 1.00 0.00 O ATOM 155 CB TYR A 12 44.345 5.430 -34.723 1.00 0.00 C ATOM 156 CG TYR A 12 43.698 4.997 -33.432 1.00 0.00 C ATOM 157 CD1 TYR A 12 42.357 4.636 -33.390 1.00 0.00 C ATOM 158 CD2 TYR A 12 44.430 4.942 -32.254 1.00 0.00 C ATOM 159 CE1 TYR A 12 41.764 4.234 -32.209 1.00 0.00 C ATOM 160 CE2 TYR A 12 43.845 4.539 -31.069 1.00 0.00 C ATOM 161 CZ TYR A 12 42.511 4.187 -31.052 1.00 0.00 C ATOM 162 OH TYR A 12 41.925 3.786 -29.873 1.00 0.00 O ATOM 0 H TYR A 12 46.307 3.984 -34.203 1.00 0.00 H new ATOM 0 HA TYR A 12 43.928 3.612 -35.800 1.00 0.00 H new ATOM 0 HB2 TYR A 12 45.214 6.047 -34.495 1.00 0.00 H new ATOM 0 HB3 TYR A 12 43.646 6.056 -35.278 1.00 0.00 H new ATOM 0 HD1 TYR A 12 41.769 4.670 -34.295 1.00 0.00 H new ATOM 0 HD2 TYR A 12 45.474 5.219 -32.264 1.00 0.00 H new ATOM 0 HE1 TYR A 12 40.720 3.958 -32.192 1.00 0.00 H new ATOM 0 HE2 TYR A 12 44.429 4.500 -30.161 1.00 0.00 H new ATOM 0 HH TYR A 12 41.532 4.562 -29.423 1.00 0.00 H new ATOM 172 N SER A 13 44.475 5.628 -37.586 1.00 0.00 N ATOM 173 CA SER A 13 44.829 6.215 -38.872 1.00 0.00 C ATOM 174 C SER A 13 44.390 7.673 -38.940 1.00 0.00 C ATOM 175 O SER A 13 43.395 8.062 -38.330 1.00 0.00 O ATOM 176 CB SER A 13 44.189 5.422 -40.012 1.00 0.00 C ATOM 177 OG SER A 13 44.614 4.070 -39.996 1.00 0.00 O ATOM 0 H SER A 13 43.564 5.916 -37.230 1.00 0.00 H new ATOM 0 HA SER A 13 45.913 6.175 -38.977 1.00 0.00 H new ATOM 0 HB2 SER A 13 43.103 5.466 -39.925 1.00 0.00 H new ATOM 0 HB3 SER A 13 44.451 5.877 -40.967 1.00 0.00 H new ATOM 0 HG SER A 13 45.075 3.862 -40.836 1.00 0.00 H new ATOM 183 N VAL A 14 45.148 8.474 -39.680 1.00 0.00 N ATOM 184 CA VAL A 14 44.854 9.895 -39.829 1.00 0.00 C ATOM 185 C VAL A 14 43.359 10.145 -40.023 1.00 0.00 C ATOM 186 O VAL A 14 42.874 10.221 -41.152 1.00 0.00 O ATOM 187 CB VAL A 14 45.627 10.499 -41.018 1.00 0.00 C ATOM 188 CG1 VAL A 14 45.562 9.571 -42.221 1.00 0.00 C ATOM 189 CG2 VAL A 14 45.091 11.879 -41.368 1.00 0.00 C ATOM 0 H VAL A 14 45.975 8.162 -40.189 1.00 0.00 H new ATOM 0 HA VAL A 14 45.173 10.380 -38.907 1.00 0.00 H new ATOM 0 HB VAL A 14 46.672 10.610 -40.727 1.00 0.00 H new ATOM 0 HG11 VAL A 14 46.113 10.013 -43.051 1.00 0.00 H new ATOM 0 HG12 VAL A 14 46.005 8.609 -41.963 1.00 0.00 H new ATOM 0 HG13 VAL A 14 44.522 9.425 -42.512 1.00 0.00 H new ATOM 0 HG21 VAL A 14 45.652 12.285 -42.210 1.00 0.00 H new ATOM 0 HG22 VAL A 14 44.038 11.803 -41.637 1.00 0.00 H new ATOM 0 HG23 VAL A 14 45.199 12.540 -40.508 1.00 0.00 H new ATOM 199 N GLY A 15 42.639 10.288 -38.914 1.00 0.00 N ATOM 200 CA GLY A 15 41.211 10.547 -38.980 1.00 0.00 C ATOM 201 C GLY A 15 40.370 9.374 -38.512 1.00 0.00 C ATOM 202 O GLY A 15 39.343 9.061 -39.112 1.00 0.00 O ATOM 0 H GLY A 15 43.019 10.229 -37.969 1.00 0.00 H new ATOM 0 HA2 GLY A 15 40.978 11.420 -38.370 1.00 0.00 H new ATOM 0 HA3 GLY A 15 40.940 10.794 -40.006 1.00 0.00 H new ATOM 206 N MET A 16 40.801 8.732 -37.434 1.00 0.00 N ATOM 207 CA MET A 16 40.074 7.596 -36.880 1.00 0.00 C ATOM 208 C MET A 16 39.687 7.868 -35.432 1.00 0.00 C ATOM 209 O MET A 16 39.969 7.068 -34.540 1.00 0.00 O ATOM 210 CB MET A 16 40.918 6.326 -36.971 1.00 0.00 C ATOM 211 CG MET A 16 40.439 5.355 -38.038 1.00 0.00 C ATOM 212 SD MET A 16 39.919 3.772 -37.352 1.00 0.00 S ATOM 213 CE MET A 16 41.497 3.085 -36.853 1.00 0.00 C ATOM 0 H MET A 16 41.650 8.978 -36.925 1.00 0.00 H new ATOM 0 HA MET A 16 39.164 7.452 -37.463 1.00 0.00 H new ATOM 0 HB2 MET A 16 41.952 6.601 -37.179 1.00 0.00 H new ATOM 0 HB3 MET A 16 40.910 5.824 -36.004 1.00 0.00 H new ATOM 0 HG2 MET A 16 39.607 5.801 -38.583 1.00 0.00 H new ATOM 0 HG3 MET A 16 41.240 5.189 -38.759 1.00 0.00 H new ATOM 0 HE1 MET A 16 41.554 2.042 -37.163 1.00 0.00 H new ATOM 0 HE2 MET A 16 42.304 3.648 -37.323 1.00 0.00 H new ATOM 0 HE3 MET A 16 41.594 3.147 -35.769 1.00 0.00 H new ATOM 223 N GLN A 17 39.045 9.009 -35.211 1.00 0.00 N ATOM 224 CA GLN A 17 38.617 9.411 -33.876 1.00 0.00 C ATOM 225 C GLN A 17 38.233 8.208 -33.023 1.00 0.00 C ATOM 226 O GLN A 17 37.536 7.303 -33.481 1.00 0.00 O ATOM 227 CB GLN A 17 37.431 10.373 -33.969 1.00 0.00 C ATOM 228 CG GLN A 17 37.774 11.700 -34.625 1.00 0.00 C ATOM 229 CD GLN A 17 36.551 12.558 -34.883 1.00 0.00 C ATOM 230 OE1 GLN A 17 36.496 13.302 -35.862 1.00 0.00 O ATOM 231 NE2 GLN A 17 35.563 12.461 -34.002 1.00 0.00 N ATOM 0 H GLN A 17 38.808 9.677 -35.945 1.00 0.00 H new ATOM 0 HA GLN A 17 39.459 9.912 -33.398 1.00 0.00 H new ATOM 0 HB2 GLN A 17 36.630 9.895 -34.532 1.00 0.00 H new ATOM 0 HB3 GLN A 17 37.047 10.561 -32.966 1.00 0.00 H new ATOM 0 HG2 GLN A 17 38.469 12.247 -33.988 1.00 0.00 H new ATOM 0 HG3 GLN A 17 38.287 11.513 -35.568 1.00 0.00 H new ATOM 0 HE21 GLN A 17 35.651 11.831 -33.205 1.00 0.00 H new ATOM 0 HE22 GLN A 17 34.716 13.016 -34.122 1.00 0.00 H new ATOM 240 N TRP A 18 38.683 8.217 -31.774 1.00 0.00 N ATOM 241 CA TRP A 18 38.381 7.143 -30.841 1.00 0.00 C ATOM 242 C TRP A 18 38.125 7.713 -29.448 1.00 0.00 C ATOM 243 O TRP A 18 38.031 8.929 -29.276 1.00 0.00 O ATOM 244 CB TRP A 18 39.517 6.117 -30.806 1.00 0.00 C ATOM 245 CG TRP A 18 40.789 6.643 -30.217 1.00 0.00 C ATOM 246 CD1 TRP A 18 41.144 6.633 -28.901 1.00 0.00 C ATOM 247 CD2 TRP A 18 41.879 7.248 -30.924 1.00 0.00 C ATOM 248 NE1 TRP A 18 42.386 7.195 -28.744 1.00 0.00 N ATOM 249 CE2 TRP A 18 42.857 7.584 -29.970 1.00 0.00 C ATOM 250 CE3 TRP A 18 42.121 7.541 -32.269 1.00 0.00 C ATOM 251 CZ2 TRP A 18 44.059 8.196 -30.321 1.00 0.00 C ATOM 252 CZ3 TRP A 18 43.313 8.148 -32.615 1.00 0.00 C ATOM 253 CH2 TRP A 18 44.268 8.470 -31.644 1.00 0.00 C ATOM 0 H TRP A 18 39.261 8.961 -31.384 1.00 0.00 H new ATOM 0 HA TRP A 18 37.479 6.633 -31.180 1.00 0.00 H new ATOM 0 HB2 TRP A 18 39.193 5.250 -30.231 1.00 0.00 H new ATOM 0 HB3 TRP A 18 39.713 5.771 -31.821 1.00 0.00 H new ATOM 0 HD1 TRP A 18 40.537 6.240 -28.099 1.00 0.00 H new ATOM 0 HE1 TRP A 18 42.879 7.305 -27.858 1.00 0.00 H new ATOM 0 HE3 TRP A 18 41.389 7.297 -33.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 44.799 8.445 -29.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 43.511 8.378 -33.652 1.00 0.00 H new ATOM 0 HH2 TRP A 18 45.190 8.945 -31.946 1.00 0.00 H new ATOM 264 N LEU A 19 38.002 6.838 -28.456 1.00 0.00 N ATOM 265 CA LEU A 19 37.740 7.278 -27.091 1.00 0.00 C ATOM 266 C LEU A 19 38.779 6.730 -26.121 1.00 0.00 C ATOM 267 O LEU A 19 38.871 5.520 -25.912 1.00 0.00 O ATOM 268 CB LEU A 19 36.342 6.837 -26.648 1.00 0.00 C ATOM 269 CG LEU A 19 35.181 7.646 -27.235 1.00 0.00 C ATOM 270 CD1 LEU A 19 35.209 9.079 -26.723 1.00 0.00 C ATOM 271 CD2 LEU A 19 35.227 7.620 -28.754 1.00 0.00 C ATOM 0 H LEU A 19 38.079 5.827 -28.570 1.00 0.00 H new ATOM 0 HA LEU A 19 37.799 8.366 -27.079 1.00 0.00 H new ATOM 0 HB2 LEU A 19 36.207 5.790 -26.919 1.00 0.00 H new ATOM 0 HB3 LEU A 19 36.289 6.894 -25.561 1.00 0.00 H new ATOM 0 HG LEU A 19 34.247 7.187 -26.911 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.376 9.635 -27.153 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.123 9.079 -25.636 1.00 0.00 H new ATOM 0 HD13 LEU A 19 36.148 9.551 -27.013 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.395 8.200 -29.153 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.167 8.051 -29.097 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.152 6.590 -29.103 1.00 0.00 H new ATOM 283 N LYS A 20 39.551 7.629 -25.522 1.00 0.00 N ATOM 284 CA LYS A 20 40.573 7.235 -24.560 1.00 0.00 C ATOM 285 C LYS A 20 40.013 7.254 -23.141 1.00 0.00 C ATOM 286 O LYS A 20 39.260 8.154 -22.772 1.00 0.00 O ATOM 287 CB LYS A 20 41.785 8.162 -24.652 1.00 0.00 C ATOM 288 CG LYS A 20 43.029 7.605 -23.979 1.00 0.00 C ATOM 289 CD LYS A 20 43.978 6.983 -24.989 1.00 0.00 C ATOM 290 CE LYS A 20 43.916 5.465 -24.950 1.00 0.00 C ATOM 291 NZ LYS A 20 43.994 4.870 -26.312 1.00 0.00 N ATOM 0 H LYS A 20 39.489 8.634 -25.685 1.00 0.00 H new ATOM 0 HA LYS A 20 40.887 6.219 -24.800 1.00 0.00 H new ATOM 0 HB2 LYS A 20 42.006 8.355 -25.702 1.00 0.00 H new ATOM 0 HB3 LYS A 20 41.534 9.120 -24.197 1.00 0.00 H new ATOM 0 HG2 LYS A 20 43.541 8.403 -23.441 1.00 0.00 H new ATOM 0 HG3 LYS A 20 42.740 6.857 -23.241 1.00 0.00 H new ATOM 0 HD2 LYS A 20 43.726 7.333 -25.990 1.00 0.00 H new ATOM 0 HD3 LYS A 20 44.997 7.312 -24.783 1.00 0.00 H new ATOM 0 HE2 LYS A 20 44.735 5.084 -24.340 1.00 0.00 H new ATOM 0 HE3 LYS A 20 42.989 5.152 -24.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 44.476 3.950 -26.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 43.034 4.738 -26.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.527 5.506 -26.939 1.00 0.00 H new ATOM 379 N GLN A 26 37.136 9.572 -18.603 1.00 0.00 N ATOM 380 CA GLN A 26 36.767 9.591 -20.014 1.00 0.00 C ATOM 381 C GLN A 26 37.536 10.677 -20.761 1.00 0.00 C ATOM 382 O GLN A 26 37.697 11.792 -20.265 1.00 0.00 O ATOM 383 CB GLN A 26 35.261 9.812 -20.170 1.00 0.00 C ATOM 384 CG GLN A 26 34.681 9.166 -21.417 1.00 0.00 C ATOM 385 CD GLN A 26 33.166 9.117 -21.399 1.00 0.00 C ATOM 386 OE1 GLN A 26 32.501 9.836 -22.145 1.00 0.00 O ATOM 387 NE2 GLN A 26 32.612 8.264 -20.545 1.00 0.00 N ATOM 0 HA GLN A 26 37.028 8.624 -20.445 1.00 0.00 H new ATOM 0 HB2 GLN A 26 34.750 9.414 -19.293 1.00 0.00 H new ATOM 0 HB3 GLN A 26 35.060 10.883 -20.198 1.00 0.00 H new ATOM 0 HG2 GLN A 26 35.012 9.719 -22.296 1.00 0.00 H new ATOM 0 HG3 GLN A 26 35.072 8.153 -21.512 1.00 0.00 H new ATOM 0 HE21 GLN A 26 33.202 7.687 -19.945 1.00 0.00 H new ATOM 0 HE22 GLN A 26 31.597 8.186 -20.489 1.00 0.00 H new ATOM 396 N MET A 27 38.011 10.339 -21.954 1.00 0.00 N ATOM 397 CA MET A 27 38.769 11.279 -22.774 1.00 0.00 C ATOM 398 C MET A 27 38.712 10.880 -24.245 1.00 0.00 C ATOM 399 O MET A 27 39.236 9.838 -24.629 1.00 0.00 O ATOM 400 CB MET A 27 40.226 11.325 -22.308 1.00 0.00 C ATOM 401 CG MET A 27 40.518 12.450 -21.331 1.00 0.00 C ATOM 402 SD MET A 27 41.740 13.616 -21.963 1.00 0.00 S ATOM 403 CE MET A 27 43.182 12.562 -22.090 1.00 0.00 C ATOM 0 H MET A 27 37.885 9.419 -22.377 1.00 0.00 H new ATOM 0 HA MET A 27 38.323 12.267 -22.663 1.00 0.00 H new ATOM 0 HB2 MET A 27 40.479 10.374 -21.840 1.00 0.00 H new ATOM 0 HB3 MET A 27 40.873 11.434 -23.178 1.00 0.00 H new ATOM 0 HG2 MET A 27 39.593 12.983 -21.109 1.00 0.00 H new ATOM 0 HG3 MET A 27 40.876 12.027 -20.392 1.00 0.00 H new ATOM 0 HE1 MET A 27 44.083 13.175 -22.082 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.205 11.873 -21.246 1.00 0.00 H new ATOM 0 HE3 MET A 27 43.137 11.995 -23.020 1.00 0.00 H new ATOM 413 N LEU A 28 38.086 11.717 -25.065 1.00 0.00 N ATOM 414 CA LEU A 28 37.980 11.443 -26.494 1.00 0.00 C ATOM 415 C LEU A 28 39.281 11.809 -27.191 1.00 0.00 C ATOM 416 O LEU A 28 39.697 12.964 -27.160 1.00 0.00 O ATOM 417 CB LEU A 28 36.819 12.230 -27.108 1.00 0.00 C ATOM 418 CG LEU A 28 36.886 12.401 -28.628 1.00 0.00 C ATOM 419 CD1 LEU A 28 35.935 11.437 -29.319 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.563 13.837 -29.012 1.00 0.00 C ATOM 0 H LEU A 28 37.646 12.587 -24.767 1.00 0.00 H new ATOM 0 HA LEU A 28 37.788 10.379 -26.630 1.00 0.00 H new ATOM 0 HB2 LEU A 28 35.885 11.728 -26.855 1.00 0.00 H new ATOM 0 HB3 LEU A 28 36.785 13.217 -26.647 1.00 0.00 H new ATOM 0 HG LEU A 28 37.900 12.173 -28.957 1.00 0.00 H new ATOM 0 HD11 LEU A 28 35.998 11.575 -30.398 1.00 0.00 H new ATOM 0 HD12 LEU A 28 36.209 10.412 -29.067 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.915 11.632 -28.987 1.00 0.00 H new ATOM 0 HD21 LEU A 28 36.614 13.944 -30.095 1.00 0.00 H new ATOM 0 HD22 LEU A 28 35.559 14.088 -28.670 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.284 14.509 -28.546 1.00 0.00 H new ATOM 432 N CYS A 29 39.921 10.825 -27.812 1.00 0.00 N ATOM 433 CA CYS A 29 41.185 11.053 -28.507 1.00 0.00 C ATOM 434 C CYS A 29 41.002 11.028 -30.022 1.00 0.00 C ATOM 435 O CYS A 29 40.351 10.137 -30.565 1.00 0.00 O ATOM 436 CB CYS A 29 42.206 9.993 -28.091 1.00 0.00 C ATOM 437 SG CYS A 29 43.151 10.408 -26.588 1.00 0.00 S ATOM 0 H CYS A 29 39.587 9.862 -27.849 1.00 0.00 H new ATOM 0 HA CYS A 29 41.548 12.042 -28.227 1.00 0.00 H new ATOM 0 HB2 CYS A 29 41.686 9.049 -27.930 1.00 0.00 H new ATOM 0 HB3 CYS A 29 42.904 9.836 -28.913 1.00 0.00 H new ATOM 442 N THR A 30 41.589 12.013 -30.699 1.00 0.00 N ATOM 443 CA THR A 30 41.500 12.101 -32.154 1.00 0.00 C ATOM 444 C THR A 30 42.857 12.406 -32.771 1.00 0.00 C ATOM 445 O THR A 30 43.637 13.185 -32.225 1.00 0.00 O ATOM 446 CB THR A 30 40.510 13.191 -32.606 1.00 0.00 C ATOM 447 OG1 THR A 30 39.192 12.884 -32.136 1.00 0.00 O ATOM 448 CG2 THR A 30 40.504 13.313 -34.127 1.00 0.00 C ATOM 0 H THR A 30 42.130 12.760 -30.264 1.00 0.00 H new ATOM 0 HA THR A 30 41.144 11.129 -32.495 1.00 0.00 H new ATOM 0 HB THR A 30 40.828 14.143 -32.182 1.00 0.00 H new ATOM 0 HG1 THR A 30 39.086 11.912 -32.072 1.00 0.00 H new ATOM 0 HG21 THR A 30 39.799 14.088 -34.427 1.00 0.00 H new ATOM 0 HG22 THR A 30 41.503 13.577 -34.475 1.00 0.00 H new ATOM 0 HG23 THR A 30 40.206 12.361 -34.567 1.00 0.00 H new ATOM 456 N CYS A 31 43.128 11.799 -33.920 1.00 0.00 N ATOM 457 CA CYS A 31 44.386 12.022 -34.613 1.00 0.00 C ATOM 458 C CYS A 31 44.161 12.833 -35.882 1.00 0.00 C ATOM 459 O CYS A 31 43.630 12.332 -36.873 1.00 0.00 O ATOM 460 CB CYS A 31 45.065 10.694 -34.939 1.00 0.00 C ATOM 461 SG CYS A 31 44.017 9.511 -35.838 1.00 0.00 S ATOM 0 H CYS A 31 42.495 11.151 -34.388 1.00 0.00 H new ATOM 0 HA CYS A 31 45.043 12.589 -33.954 1.00 0.00 H new ATOM 0 HB2 CYS A 31 45.958 10.893 -35.532 1.00 0.00 H new ATOM 0 HB3 CYS A 31 45.397 10.232 -34.009 1.00 0.00 H new ATOM 466 N LEU A 32 44.565 14.097 -35.834 1.00 0.00 N ATOM 467 CA LEU A 32 44.404 15.000 -36.969 1.00 0.00 C ATOM 468 C LEU A 32 45.492 14.766 -38.014 1.00 0.00 C ATOM 469 O LEU A 32 45.343 13.920 -38.896 1.00 0.00 O ATOM 470 CB LEU A 32 44.436 16.458 -36.499 1.00 0.00 C ATOM 471 CG LEU A 32 45.227 16.712 -35.213 1.00 0.00 C ATOM 472 CD1 LEU A 32 45.906 18.071 -35.259 1.00 0.00 C ATOM 473 CD2 LEU A 32 44.316 16.609 -33.998 1.00 0.00 C ATOM 0 H LEU A 32 45.008 14.521 -35.019 1.00 0.00 H new ATOM 0 HA LEU A 32 43.437 14.794 -37.427 1.00 0.00 H new ATOM 0 HB2 LEU A 32 44.861 17.070 -37.295 1.00 0.00 H new ATOM 0 HB3 LEU A 32 43.411 16.797 -36.349 1.00 0.00 H new ATOM 0 HG LEU A 32 46.000 15.948 -35.130 1.00 0.00 H new ATOM 0 HD11 LEU A 32 46.462 18.231 -34.336 1.00 0.00 H new ATOM 0 HD12 LEU A 32 46.591 18.107 -36.106 1.00 0.00 H new ATOM 0 HD13 LEU A 32 45.152 18.851 -35.368 1.00 0.00 H new ATOM 0 HD21 LEU A 32 44.895 16.792 -33.093 1.00 0.00 H new ATOM 0 HD22 LEU A 32 43.520 17.350 -34.076 1.00 0.00 H new ATOM 0 HD23 LEU A 32 43.880 15.611 -33.954 1.00 0.00 H new ATOM 485 N GLY A 33 46.581 15.521 -37.915 1.00 0.00 N ATOM 486 CA GLY A 33 47.668 15.375 -38.864 1.00 0.00 C ATOM 487 C GLY A 33 49.031 15.456 -38.210 1.00 0.00 C ATOM 488 O GLY A 33 49.900 14.620 -38.461 1.00 0.00 O ATOM 0 H GLY A 33 46.730 16.229 -37.196 1.00 0.00 H new ATOM 0 HA2 GLY A 33 47.572 14.417 -39.376 1.00 0.00 H new ATOM 0 HA3 GLY A 33 47.588 16.152 -39.624 1.00 0.00 H new ATOM 492 N ASN A 34 49.218 16.463 -37.368 1.00 0.00 N ATOM 493 CA ASN A 34 50.485 16.652 -36.671 1.00 0.00 C ATOM 494 C ASN A 34 50.632 15.641 -35.541 1.00 0.00 C ATOM 495 O ASN A 34 51.740 15.216 -35.213 1.00 0.00 O ATOM 496 CB ASN A 34 50.582 18.074 -36.118 1.00 0.00 C ATOM 497 CG ASN A 34 49.317 18.502 -35.400 1.00 0.00 C ATOM 498 OD1 ASN A 34 48.437 19.129 -35.991 1.00 0.00 O ATOM 499 ND2 ASN A 34 49.220 18.164 -34.120 1.00 0.00 N ATOM 0 H ASN A 34 48.509 17.163 -37.150 1.00 0.00 H new ATOM 0 HA ASN A 34 51.294 16.496 -37.385 1.00 0.00 H new ATOM 0 HB2 ASN A 34 51.426 18.137 -35.431 1.00 0.00 H new ATOM 0 HB3 ASN A 34 50.784 18.766 -36.936 1.00 0.00 H new ATOM 0 HD21 ASN A 34 48.391 18.424 -33.585 1.00 0.00 H new ATOM 0 HD22 ASN A 34 49.974 17.644 -33.671 1.00 0.00 H new ATOM 506 N GLY A 35 49.504 15.260 -34.951 1.00 0.00 N ATOM 507 CA GLY A 35 49.523 14.300 -33.864 1.00 0.00 C ATOM 508 C GLY A 35 48.136 13.804 -33.507 1.00 0.00 C ATOM 509 O GLY A 35 47.342 13.474 -34.387 1.00 0.00 O ATOM 0 H GLY A 35 48.577 15.599 -35.207 1.00 0.00 H new ATOM 0 HA2 GLY A 35 50.149 13.452 -34.143 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.979 14.758 -32.986 1.00 0.00 H new ATOM 513 N VAL A 36 47.842 13.758 -32.212 1.00 0.00 N ATOM 514 CA VAL A 36 46.539 13.305 -31.741 1.00 0.00 C ATOM 515 C VAL A 36 46.070 14.137 -30.555 1.00 0.00 C ATOM 516 O VAL A 36 46.687 14.126 -29.489 1.00 0.00 O ATOM 517 CB VAL A 36 46.561 11.816 -31.339 1.00 0.00 C ATOM 518 CG1 VAL A 36 45.178 11.360 -30.895 1.00 0.00 C ATOM 519 CG2 VAL A 36 47.067 10.957 -32.487 1.00 0.00 C ATOM 0 H VAL A 36 48.488 14.029 -31.471 1.00 0.00 H new ATOM 0 HA VAL A 36 45.844 13.430 -32.571 1.00 0.00 H new ATOM 0 HB VAL A 36 47.246 11.699 -30.499 1.00 0.00 H new ATOM 0 HG11 VAL A 36 45.214 10.307 -30.616 1.00 0.00 H new ATOM 0 HG12 VAL A 36 44.857 11.952 -30.038 1.00 0.00 H new ATOM 0 HG13 VAL A 36 44.471 11.494 -31.713 1.00 0.00 H new ATOM 0 HG21 VAL A 36 47.075 9.910 -32.182 1.00 0.00 H new ATOM 0 HG22 VAL A 36 46.412 11.079 -33.349 1.00 0.00 H new ATOM 0 HG23 VAL A 36 48.078 11.265 -32.753 1.00 0.00 H new ATOM 529 N SER A 37 44.971 14.858 -30.749 1.00 0.00 N ATOM 530 CA SER A 37 44.412 15.700 -29.700 1.00 0.00 C ATOM 531 C SER A 37 43.139 15.080 -29.140 1.00 0.00 C ATOM 532 O SER A 37 42.263 14.653 -29.892 1.00 0.00 O ATOM 533 CB SER A 37 44.118 17.099 -30.243 1.00 0.00 C ATOM 534 OG SER A 37 43.881 18.016 -29.190 1.00 0.00 O ATOM 0 H SER A 37 44.449 14.875 -31.625 1.00 0.00 H new ATOM 0 HA SER A 37 45.144 15.780 -28.896 1.00 0.00 H new ATOM 0 HB2 SER A 37 44.959 17.442 -30.846 1.00 0.00 H new ATOM 0 HB3 SER A 37 43.249 17.062 -30.900 1.00 0.00 H new ATOM 0 HG SER A 37 43.697 18.903 -29.564 1.00 0.00 H new ATOM 540 N CYS A 38 43.043 15.026 -27.818 1.00 0.00 N ATOM 541 CA CYS A 38 41.874 14.450 -27.168 1.00 0.00 C ATOM 542 C CYS A 38 41.117 15.502 -26.366 1.00 0.00 C ATOM 543 O CYS A 38 41.571 16.637 -26.225 1.00 0.00 O ATOM 544 CB CYS A 38 42.293 13.294 -26.257 1.00 0.00 C ATOM 545 SG CYS A 38 43.711 12.336 -26.880 1.00 0.00 S ATOM 0 H CYS A 38 43.757 15.372 -27.177 1.00 0.00 H new ATOM 0 HA CYS A 38 41.208 14.071 -27.943 1.00 0.00 H new ATOM 0 HB2 CYS A 38 42.541 13.692 -25.273 1.00 0.00 H new ATOM 0 HB3 CYS A 38 41.444 12.623 -26.125 1.00 0.00 H new ATOM 550 N GLN A 39 39.959 15.114 -25.842 1.00 0.00 N ATOM 551 CA GLN A 39 39.134 16.021 -25.052 1.00 0.00 C ATOM 552 C GLN A 39 38.915 15.470 -23.648 1.00 0.00 C ATOM 553 O GLN A 39 38.329 14.400 -23.473 1.00 0.00 O ATOM 554 CB GLN A 39 37.787 16.252 -25.740 1.00 0.00 C ATOM 555 CG GLN A 39 37.439 17.721 -25.920 1.00 0.00 C ATOM 556 CD GLN A 39 36.709 17.993 -27.222 1.00 0.00 C ATOM 557 OE1 GLN A 39 36.952 19.002 -27.884 1.00 0.00 O ATOM 558 NE2 GLN A 39 35.807 17.092 -27.595 1.00 0.00 N ATOM 0 H GLN A 39 39.570 14.177 -25.950 1.00 0.00 H new ATOM 0 HA GLN A 39 39.658 16.973 -24.972 1.00 0.00 H new ATOM 0 HB2 GLN A 39 37.800 15.768 -26.717 1.00 0.00 H new ATOM 0 HB3 GLN A 39 37.003 15.770 -25.156 1.00 0.00 H new ATOM 0 HG2 GLN A 39 36.819 18.049 -25.085 1.00 0.00 H new ATOM 0 HG3 GLN A 39 38.353 18.313 -25.890 1.00 0.00 H new ATOM 0 HE21 GLN A 39 35.638 16.270 -27.016 1.00 0.00 H new ATOM 0 HE22 GLN A 39 35.284 17.222 -28.461 1.00 0.00 H new ATOM 636 N GLN A 45 29.665 22.848 -20.790 1.00 0.00 N ATOM 637 CA GLN A 45 28.702 23.594 -19.989 1.00 0.00 C ATOM 638 C GLN A 45 27.462 23.947 -20.806 1.00 0.00 C ATOM 639 O GLN A 45 27.397 23.683 -22.006 1.00 0.00 O ATOM 640 CB GLN A 45 29.344 24.871 -19.442 1.00 0.00 C ATOM 641 CG GLN A 45 30.646 24.628 -18.698 1.00 0.00 C ATOM 642 CD GLN A 45 30.918 25.684 -17.643 1.00 0.00 C ATOM 643 OE1 GLN A 45 31.430 25.382 -16.564 1.00 0.00 O ATOM 644 NE2 GLN A 45 30.575 26.929 -17.950 1.00 0.00 N ATOM 0 HA GLN A 45 28.396 22.960 -19.157 1.00 0.00 H new ATOM 0 HB2 GLN A 45 29.530 25.557 -20.269 1.00 0.00 H new ATOM 0 HB3 GLN A 45 28.639 25.364 -18.772 1.00 0.00 H new ATOM 0 HG2 GLN A 45 30.613 23.647 -18.225 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.470 24.610 -19.411 1.00 0.00 H new ATOM 0 HE21 GLN A 45 30.153 27.133 -18.856 1.00 0.00 H new ATOM 0 HE22 GLN A 45 30.733 27.682 -17.280 1.00 0.00 H new ATOM 653 N THR A 46 26.481 24.548 -20.141 1.00 0.00 N ATOM 654 CA THR A 46 25.238 24.944 -20.795 1.00 0.00 C ATOM 655 C THR A 46 24.652 26.186 -20.132 1.00 0.00 C ATOM 656 O THR A 46 24.677 26.317 -18.908 1.00 0.00 O ATOM 657 CB THR A 46 24.195 23.812 -20.758 1.00 0.00 C ATOM 658 OG1 THR A 46 23.891 23.469 -19.401 1.00 0.00 O ATOM 659 CG2 THR A 46 24.705 22.583 -21.495 1.00 0.00 C ATOM 0 H THR A 46 26.523 24.772 -19.147 1.00 0.00 H new ATOM 0 HA THR A 46 25.479 25.164 -21.835 1.00 0.00 H new ATOM 0 HB THR A 46 23.291 24.165 -21.254 1.00 0.00 H new ATOM 0 HG1 THR A 46 24.111 22.527 -19.245 1.00 0.00 H new ATOM 0 HG21 THR A 46 23.951 21.796 -21.456 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.907 22.840 -22.535 1.00 0.00 H new ATOM 0 HG23 THR A 46 25.622 22.231 -21.023 1.00 0.00 H new ATOM 667 N TYR A 47 24.133 27.100 -20.944 1.00 0.00 N ATOM 668 CA TYR A 47 23.551 28.333 -20.427 1.00 0.00 C ATOM 669 C TYR A 47 22.063 28.432 -20.753 1.00 0.00 C ATOM 670 O TYR A 47 21.285 28.982 -19.974 1.00 0.00 O ATOM 671 CB TYR A 47 24.280 29.547 -20.999 1.00 0.00 C ATOM 672 CG TYR A 47 24.713 29.372 -22.436 1.00 0.00 C ATOM 673 CD1 TYR A 47 23.785 29.408 -23.469 1.00 0.00 C ATOM 674 CD2 TYR A 47 26.049 29.171 -22.761 1.00 0.00 C ATOM 675 CE1 TYR A 47 24.175 29.249 -24.784 1.00 0.00 C ATOM 676 CE2 TYR A 47 26.447 29.012 -24.074 1.00 0.00 C ATOM 677 CZ TYR A 47 25.507 29.051 -25.082 1.00 0.00 C ATOM 678 OH TYR A 47 25.900 28.891 -26.391 1.00 0.00 O ATOM 0 H TYR A 47 24.103 27.011 -21.960 1.00 0.00 H new ATOM 0 HA TYR A 47 23.664 28.317 -19.343 1.00 0.00 H new ATOM 0 HB2 TYR A 47 23.628 30.418 -20.928 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.158 29.755 -20.387 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.741 29.563 -23.240 1.00 0.00 H new ATOM 0 HD2 TYR A 47 26.788 29.139 -21.974 1.00 0.00 H new ATOM 0 HE1 TYR A 47 23.441 29.280 -25.575 1.00 0.00 H new ATOM 0 HE2 TYR A 47 27.490 28.858 -24.310 1.00 0.00 H new ATOM 0 HH TYR A 47 26.747 28.399 -26.420 1.00 0.00 H new ATOM 688 N GLY A 48 21.675 27.904 -21.907 1.00 0.00 N ATOM 689 CA GLY A 48 20.284 27.955 -22.309 1.00 0.00 C ATOM 690 C GLY A 48 19.910 26.827 -23.250 1.00 0.00 C ATOM 691 O GLY A 48 20.226 25.666 -22.995 1.00 0.00 O ATOM 0 H GLY A 48 22.298 27.442 -22.570 1.00 0.00 H new ATOM 0 HA2 GLY A 48 19.651 27.909 -21.423 1.00 0.00 H new ATOM 0 HA3 GLY A 48 20.084 28.910 -22.795 1.00 0.00 H new ATOM 695 N GLY A 49 19.237 27.173 -24.342 1.00 0.00 N ATOM 696 CA GLY A 49 18.830 26.172 -25.309 1.00 0.00 C ATOM 697 C GLY A 49 17.438 25.637 -25.039 1.00 0.00 C ATOM 698 O GLY A 49 16.658 26.254 -24.315 1.00 0.00 O ATOM 0 H GLY A 49 18.966 28.129 -24.574 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.862 26.604 -26.309 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.542 25.347 -25.295 1.00 0.00 H new ATOM 702 N ASN A 50 17.126 24.485 -25.622 1.00 0.00 N ATOM 703 CA ASN A 50 15.819 23.867 -25.439 1.00 0.00 C ATOM 704 C ASN A 50 15.687 23.286 -24.035 1.00 0.00 C ATOM 705 O ASN A 50 14.591 22.929 -23.601 1.00 0.00 O ATOM 706 CB ASN A 50 15.599 22.769 -26.481 1.00 0.00 C ATOM 707 CG ASN A 50 14.529 23.135 -27.491 1.00 0.00 C ATOM 708 OD1 ASN A 50 14.702 22.942 -28.693 1.00 0.00 O ATOM 709 ND2 ASN A 50 13.414 23.668 -27.005 1.00 0.00 N ATOM 0 H ASN A 50 17.760 23.961 -26.225 1.00 0.00 H new ATOM 0 HA ASN A 50 15.058 24.637 -25.569 1.00 0.00 H new ATOM 0 HB2 ASN A 50 16.536 22.575 -27.003 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.317 21.845 -25.977 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.659 23.935 -27.637 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.313 23.810 -26.000 1.00 0.00 H new ATOM 716 N SER A 51 16.810 23.195 -23.329 1.00 0.00 N ATOM 717 CA SER A 51 16.816 22.656 -21.974 1.00 0.00 C ATOM 718 C SER A 51 17.080 23.753 -20.946 1.00 0.00 C ATOM 719 O SER A 51 16.734 23.607 -19.775 1.00 0.00 O ATOM 720 CB SER A 51 17.868 21.554 -21.843 1.00 0.00 C ATOM 721 OG SER A 51 17.304 20.379 -21.285 1.00 0.00 O ATOM 0 H SER A 51 17.725 23.487 -23.672 1.00 0.00 H new ATOM 0 HA SER A 51 15.831 22.233 -21.778 1.00 0.00 H new ATOM 0 HB2 SER A 51 18.289 21.330 -22.823 1.00 0.00 H new ATOM 0 HB3 SER A 51 18.688 21.902 -21.215 1.00 0.00 H new ATOM 0 HG SER A 51 17.846 20.086 -20.523 1.00 0.00 H new ATOM 727 N ASN A 52 17.692 24.849 -21.394 1.00 0.00 N ATOM 728 CA ASN A 52 17.999 25.972 -20.521 1.00 0.00 C ATOM 729 C ASN A 52 19.220 25.675 -19.656 1.00 0.00 C ATOM 730 O ASN A 52 19.525 26.416 -18.720 1.00 0.00 O ATOM 731 CB ASN A 52 16.797 26.300 -19.644 1.00 0.00 C ATOM 732 CG ASN A 52 16.989 27.577 -18.848 1.00 0.00 C ATOM 733 OD1 ASN A 52 17.423 27.545 -17.696 1.00 0.00 O ATOM 734 ND2 ASN A 52 16.666 28.709 -19.461 1.00 0.00 N ATOM 0 H ASN A 52 17.985 24.979 -22.362 1.00 0.00 H new ATOM 0 HA ASN A 52 18.228 26.836 -21.145 1.00 0.00 H new ATOM 0 HB2 ASN A 52 15.910 26.396 -20.270 1.00 0.00 H new ATOM 0 HB3 ASN A 52 16.615 25.472 -18.958 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.774 29.600 -18.977 1.00 0.00 H new ATOM 0 HD22 ASN A 52 16.310 28.688 -20.417 1.00 0.00 H new ATOM 741 N GLY A 53 19.918 24.591 -19.976 1.00 0.00 N ATOM 742 CA GLY A 53 21.102 24.220 -19.222 1.00 0.00 C ATOM 743 C GLY A 53 20.873 23.015 -18.330 1.00 0.00 C ATOM 744 O GLY A 53 20.127 23.089 -17.354 1.00 0.00 O ATOM 0 H GLY A 53 19.685 23.962 -20.744 1.00 0.00 H new ATOM 0 HA2 GLY A 53 21.916 24.005 -19.914 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.418 25.065 -18.610 1.00 0.00 H new ATOM 748 N GLU A 54 21.521 21.903 -18.666 1.00 0.00 N ATOM 749 CA GLU A 54 21.392 20.677 -17.889 1.00 0.00 C ATOM 750 C GLU A 54 22.415 19.638 -18.348 1.00 0.00 C ATOM 751 O GLU A 54 23.056 19.803 -19.386 1.00 0.00 O ATOM 752 CB GLU A 54 19.961 20.127 -18.003 1.00 0.00 C ATOM 753 CG GLU A 54 19.817 18.930 -18.932 1.00 0.00 C ATOM 754 CD GLU A 54 18.425 18.329 -18.895 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.111 17.616 -17.918 1.00 0.00 O ATOM 756 OE2 GLU A 54 17.647 18.574 -19.842 1.00 0.00 O ATOM 0 H GLU A 54 22.141 21.827 -19.472 1.00 0.00 H new ATOM 0 HA GLU A 54 21.592 20.903 -16.842 1.00 0.00 H new ATOM 0 HB2 GLU A 54 19.614 19.844 -17.009 1.00 0.00 H new ATOM 0 HB3 GLU A 54 19.306 20.924 -18.354 1.00 0.00 H new ATOM 0 HG2 GLU A 54 20.050 19.236 -19.952 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.545 18.168 -18.653 1.00 0.00 H new ATOM 763 N PRO A 55 22.579 18.551 -17.578 1.00 0.00 N ATOM 764 CA PRO A 55 23.528 17.484 -17.912 1.00 0.00 C ATOM 765 C PRO A 55 23.194 16.810 -19.239 1.00 0.00 C ATOM 766 O PRO A 55 22.153 16.168 -19.374 1.00 0.00 O ATOM 767 CB PRO A 55 23.384 16.490 -16.754 1.00 0.00 C ATOM 768 CG PRO A 55 22.062 16.801 -16.137 1.00 0.00 C ATOM 769 CD PRO A 55 21.854 18.275 -16.329 1.00 0.00 C ATOM 0 HA PRO A 55 24.541 17.867 -18.032 1.00 0.00 H new ATOM 0 HB2 PRO A 55 23.420 15.461 -17.111 1.00 0.00 H new ATOM 0 HB3 PRO A 55 24.193 16.605 -16.032 1.00 0.00 H new ATOM 0 HG2 PRO A 55 21.265 16.229 -16.612 1.00 0.00 H new ATOM 0 HG3 PRO A 55 22.054 16.540 -15.079 1.00 0.00 H new ATOM 0 HD2 PRO A 55 20.797 18.526 -16.412 1.00 0.00 H new ATOM 0 HD3 PRO A 55 22.254 18.851 -15.494 1.00 0.00 H new ATOM 777 N CYS A 56 24.083 16.961 -20.215 1.00 0.00 N ATOM 778 CA CYS A 56 23.879 16.368 -21.531 1.00 0.00 C ATOM 779 C CYS A 56 23.662 14.862 -21.421 1.00 0.00 C ATOM 780 O CYS A 56 23.833 14.278 -20.351 1.00 0.00 O ATOM 781 CB CYS A 56 25.072 16.663 -22.441 1.00 0.00 C ATOM 782 SG CYS A 56 25.591 18.409 -22.440 1.00 0.00 S ATOM 0 H CYS A 56 24.951 17.488 -20.119 1.00 0.00 H new ATOM 0 HA CYS A 56 22.985 16.813 -21.967 1.00 0.00 H new ATOM 0 HB2 CYS A 56 25.914 16.044 -22.131 1.00 0.00 H new ATOM 0 HB3 CYS A 56 24.820 16.370 -23.460 1.00 0.00 H new ATOM 787 N VAL A 57 23.275 14.240 -22.530 1.00 0.00 N ATOM 788 CA VAL A 57 23.027 12.804 -22.552 1.00 0.00 C ATOM 789 C VAL A 57 23.695 12.137 -23.749 1.00 0.00 C ATOM 790 O VAL A 57 23.019 11.607 -24.632 1.00 0.00 O ATOM 791 CB VAL A 57 21.519 12.500 -22.592 1.00 0.00 C ATOM 792 CG1 VAL A 57 20.896 13.058 -23.862 1.00 0.00 C ATOM 793 CG2 VAL A 57 21.273 11.003 -22.483 1.00 0.00 C ATOM 0 H VAL A 57 23.127 14.708 -23.424 1.00 0.00 H new ATOM 0 HA VAL A 57 23.455 12.400 -21.635 1.00 0.00 H new ATOM 0 HB VAL A 57 21.046 12.986 -21.738 1.00 0.00 H new ATOM 0 HG11 VAL A 57 19.829 12.834 -23.873 1.00 0.00 H new ATOM 0 HG12 VAL A 57 21.040 14.138 -23.894 1.00 0.00 H new ATOM 0 HG13 VAL A 57 21.372 12.603 -24.731 1.00 0.00 H new ATOM 0 HG21 VAL A 57 20.201 10.807 -22.513 1.00 0.00 H new ATOM 0 HG22 VAL A 57 21.758 10.493 -23.315 1.00 0.00 H new ATOM 0 HG23 VAL A 57 21.683 10.634 -21.543 1.00 0.00 H new ATOM 803 N LEU A 58 25.023 12.159 -23.775 1.00 0.00 N ATOM 804 CA LEU A 58 25.773 11.547 -24.867 1.00 0.00 C ATOM 805 C LEU A 58 26.460 10.266 -24.402 1.00 0.00 C ATOM 806 O LEU A 58 26.554 9.998 -23.204 1.00 0.00 O ATOM 807 CB LEU A 58 26.811 12.525 -25.429 1.00 0.00 C ATOM 808 CG LEU A 58 27.233 13.656 -24.489 1.00 0.00 C ATOM 809 CD1 LEU A 58 26.058 14.568 -24.181 1.00 0.00 C ATOM 810 CD2 LEU A 58 27.826 13.089 -23.207 1.00 0.00 C ATOM 0 H LEU A 58 25.601 12.592 -23.055 1.00 0.00 H new ATOM 0 HA LEU A 58 25.066 11.296 -25.658 1.00 0.00 H new ATOM 0 HB2 LEU A 58 27.700 11.961 -25.711 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.411 12.966 -26.342 1.00 0.00 H new ATOM 0 HG LEU A 58 27.999 14.249 -24.989 1.00 0.00 H new ATOM 0 HD11 LEU A 58 26.382 15.365 -23.511 1.00 0.00 H new ATOM 0 HD12 LEU A 58 25.682 15.003 -25.107 1.00 0.00 H new ATOM 0 HD13 LEU A 58 25.266 13.992 -23.703 1.00 0.00 H new ATOM 0 HD21 LEU A 58 28.121 13.907 -22.550 1.00 0.00 H new ATOM 0 HD22 LEU A 58 27.082 12.470 -22.705 1.00 0.00 H new ATOM 0 HD23 LEU A 58 28.700 12.483 -23.447 1.00 0.00 H new ATOM 822 N PRO A 59 26.947 9.454 -25.353 1.00 0.00 N ATOM 823 CA PRO A 59 26.847 9.753 -26.782 1.00 0.00 C ATOM 824 C PRO A 59 25.421 9.629 -27.302 1.00 0.00 C ATOM 825 O PRO A 59 24.693 8.705 -26.940 1.00 0.00 O ATOM 826 CB PRO A 59 27.739 8.695 -27.449 1.00 0.00 C ATOM 827 CG PRO A 59 28.491 8.035 -26.337 1.00 0.00 C ATOM 828 CD PRO A 59 27.638 8.183 -25.113 1.00 0.00 C ATOM 0 HA PRO A 59 27.149 10.779 -26.993 1.00 0.00 H new ATOM 0 HB2 PRO A 59 27.140 7.970 -28.000 1.00 0.00 H new ATOM 0 HB3 PRO A 59 28.422 9.154 -28.164 1.00 0.00 H new ATOM 0 HG2 PRO A 59 28.673 6.984 -26.560 1.00 0.00 H new ATOM 0 HG3 PRO A 59 29.464 8.504 -26.193 1.00 0.00 H new ATOM 0 HD2 PRO A 59 26.937 7.355 -25.005 1.00 0.00 H new ATOM 0 HD3 PRO A 59 28.237 8.214 -24.203 1.00 0.00 H new ATOM 836 N PHE A 60 25.035 10.560 -28.164 1.00 0.00 N ATOM 837 CA PHE A 60 23.701 10.555 -28.752 1.00 0.00 C ATOM 838 C PHE A 60 23.803 10.440 -30.268 1.00 0.00 C ATOM 839 O PHE A 60 24.899 10.472 -30.824 1.00 0.00 O ATOM 840 CB PHE A 60 22.942 11.825 -28.371 1.00 0.00 C ATOM 841 CG PHE A 60 23.774 13.069 -28.465 1.00 0.00 C ATOM 842 CD1 PHE A 60 24.018 13.662 -29.691 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.311 13.646 -27.325 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.785 14.808 -29.781 1.00 0.00 C ATOM 845 CE2 PHE A 60 25.079 14.790 -27.408 1.00 0.00 C ATOM 846 CZ PHE A 60 25.316 15.373 -28.638 1.00 0.00 C ATOM 0 H PHE A 60 25.628 11.330 -28.473 1.00 0.00 H new ATOM 0 HA PHE A 60 23.152 9.696 -28.365 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.073 11.928 -29.021 1.00 0.00 H new ATOM 0 HB3 PHE A 60 22.568 11.724 -27.352 1.00 0.00 H new ATOM 0 HD1 PHE A 60 23.604 13.224 -30.588 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.127 13.196 -26.361 1.00 0.00 H new ATOM 0 HE1 PHE A 60 24.969 15.261 -30.744 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.494 15.229 -26.513 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.915 16.269 -28.706 1.00 0.00 H new ATOM 856 N THR A 61 22.664 10.306 -30.937 1.00 0.00 N ATOM 857 CA THR A 61 22.656 10.187 -32.387 1.00 0.00 C ATOM 858 C THR A 61 21.901 11.343 -33.031 1.00 0.00 C ATOM 859 O THR A 61 20.722 11.562 -32.751 1.00 0.00 O ATOM 860 CB THR A 61 22.027 8.857 -32.843 1.00 0.00 C ATOM 861 OG1 THR A 61 21.810 8.004 -31.712 1.00 0.00 O ATOM 862 CG2 THR A 61 22.924 8.155 -33.851 1.00 0.00 C ATOM 0 H THR A 61 21.742 10.277 -30.502 1.00 0.00 H new ATOM 0 HA THR A 61 23.697 10.214 -32.709 1.00 0.00 H new ATOM 0 HB THR A 61 21.071 9.075 -33.320 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.408 7.161 -32.010 1.00 0.00 H new ATOM 0 HG21 THR A 61 22.461 7.218 -34.160 1.00 0.00 H new ATOM 0 HG22 THR A 61 23.063 8.795 -34.722 1.00 0.00 H new ATOM 0 HG23 THR A 61 23.892 7.948 -33.395 1.00 0.00 H new ATOM 870 N TYR A 62 22.589 12.078 -33.896 1.00 0.00 N ATOM 871 CA TYR A 62 21.988 13.211 -34.582 1.00 0.00 C ATOM 872 C TYR A 62 22.417 13.248 -36.045 1.00 0.00 C ATOM 873 O TYR A 62 23.607 13.191 -36.355 1.00 0.00 O ATOM 874 CB TYR A 62 22.378 14.518 -33.893 1.00 0.00 C ATOM 875 CG TYR A 62 21.792 15.745 -34.552 1.00 0.00 C ATOM 876 CD1 TYR A 62 20.498 16.159 -34.266 1.00 0.00 C ATOM 877 CD2 TYR A 62 22.534 16.487 -35.462 1.00 0.00 C ATOM 878 CE1 TYR A 62 19.959 17.280 -34.868 1.00 0.00 C ATOM 879 CE2 TYR A 62 22.003 17.610 -36.067 1.00 0.00 C ATOM 880 CZ TYR A 62 20.715 18.001 -35.767 1.00 0.00 C ATOM 881 OH TYR A 62 20.182 19.118 -36.367 1.00 0.00 O ATOM 0 H TYR A 62 23.565 11.908 -34.138 1.00 0.00 H new ATOM 0 HA TYR A 62 20.905 13.096 -34.540 1.00 0.00 H new ATOM 0 HB2 TYR A 62 22.052 14.483 -32.854 1.00 0.00 H new ATOM 0 HB3 TYR A 62 23.465 14.604 -33.883 1.00 0.00 H new ATOM 0 HD1 TYR A 62 19.903 15.596 -33.562 1.00 0.00 H new ATOM 0 HD2 TYR A 62 23.542 16.181 -35.700 1.00 0.00 H new ATOM 0 HE1 TYR A 62 18.951 17.589 -34.635 1.00 0.00 H new ATOM 0 HE2 TYR A 62 22.593 18.178 -36.771 1.00 0.00 H new ATOM 0 HH TYR A 62 19.532 19.535 -35.764 1.00 0.00 H new ATOM 891 N ASN A 63 21.441 13.341 -36.942 1.00 0.00 N ATOM 892 CA ASN A 63 21.722 13.384 -38.373 1.00 0.00 C ATOM 893 C ASN A 63 22.168 12.017 -38.885 1.00 0.00 C ATOM 894 O ASN A 63 22.495 11.863 -40.062 1.00 0.00 O ATOM 895 CB ASN A 63 22.800 14.427 -38.669 1.00 0.00 C ATOM 896 CG ASN A 63 22.630 15.064 -40.032 1.00 0.00 C ATOM 897 OD1 ASN A 63 21.976 14.506 -40.914 1.00 0.00 O ATOM 898 ND2 ASN A 63 23.217 16.240 -40.212 1.00 0.00 N ATOM 0 H ASN A 63 20.450 13.388 -36.704 1.00 0.00 H new ATOM 0 HA ASN A 63 20.803 13.661 -38.889 1.00 0.00 H new ATOM 0 HB2 ASN A 63 22.772 15.202 -37.903 1.00 0.00 H new ATOM 0 HB3 ASN A 63 23.782 13.957 -38.611 1.00 0.00 H new ATOM 0 HD21 ASN A 63 23.136 16.718 -41.109 1.00 0.00 H new ATOM 0 HD22 ASN A 63 23.749 16.666 -39.453 1.00 0.00 H new ATOM 905 N GLY A 64 22.180 11.029 -37.996 1.00 0.00 N ATOM 906 CA GLY A 64 22.589 9.691 -38.382 1.00 0.00 C ATOM 907 C GLY A 64 23.926 9.297 -37.785 1.00 0.00 C ATOM 908 O GLY A 64 24.324 8.134 -37.849 1.00 0.00 O ATOM 0 H GLY A 64 21.914 11.131 -37.017 1.00 0.00 H new ATOM 0 HA2 GLY A 64 21.829 8.977 -38.065 1.00 0.00 H new ATOM 0 HA3 GLY A 64 22.649 9.632 -39.469 1.00 0.00 H new ATOM 912 N ARG A 65 24.621 10.269 -37.203 1.00 0.00 N ATOM 913 CA ARG A 65 25.922 10.019 -36.592 1.00 0.00 C ATOM 914 C ARG A 65 25.822 10.058 -35.071 1.00 0.00 C ATOM 915 O ARG A 65 24.728 9.985 -34.513 1.00 0.00 O ATOM 916 CB ARG A 65 26.940 11.050 -37.082 1.00 0.00 C ATOM 917 CG ARG A 65 26.589 12.482 -36.715 1.00 0.00 C ATOM 918 CD ARG A 65 26.522 13.365 -37.947 1.00 0.00 C ATOM 919 NE ARG A 65 25.726 12.749 -38.999 1.00 0.00 N ATOM 920 CZ ARG A 65 25.810 13.083 -40.283 1.00 0.00 C ATOM 921 NH1 ARG A 65 26.660 14.024 -40.673 1.00 0.00 N ATOM 922 NH2 ARG A 65 25.046 12.474 -41.179 1.00 0.00 N ATOM 0 H ARG A 65 24.305 11.237 -37.142 1.00 0.00 H new ATOM 0 HA ARG A 65 26.255 9.024 -36.887 1.00 0.00 H new ATOM 0 HB2 ARG A 65 27.918 10.807 -36.666 1.00 0.00 H new ATOM 0 HB3 ARG A 65 27.027 10.974 -38.166 1.00 0.00 H new ATOM 0 HG2 ARG A 65 25.630 12.503 -36.197 1.00 0.00 H new ATOM 0 HG3 ARG A 65 27.333 12.875 -36.023 1.00 0.00 H new ATOM 0 HD2 ARG A 65 26.092 14.331 -37.681 1.00 0.00 H new ATOM 0 HD3 ARG A 65 27.530 13.555 -38.315 1.00 0.00 H new ATOM 0 HE ARG A 65 25.065 12.018 -38.735 1.00 0.00 H new ATOM 0 HH11 ARG A 65 27.251 14.493 -39.987 1.00 0.00 H new ATOM 0 HH12 ARG A 65 26.722 14.278 -41.659 1.00 0.00 H new ATOM 0 HH21 ARG A 65 24.393 11.748 -40.883 1.00 0.00 H new ATOM 0 HH22 ARG A 65 25.111 12.731 -42.164 1.00 0.00 H new ATOM 936 N THR A 66 26.967 10.166 -34.403 1.00 0.00 N ATOM 937 CA THR A 66 26.997 10.208 -32.945 1.00 0.00 C ATOM 938 C THR A 66 27.934 11.303 -32.439 1.00 0.00 C ATOM 939 O THR A 66 28.834 11.742 -33.154 1.00 0.00 O ATOM 940 CB THR A 66 27.437 8.853 -32.358 1.00 0.00 C ATOM 941 OG1 THR A 66 26.608 7.804 -32.872 1.00 0.00 O ATOM 942 CG2 THR A 66 27.359 8.865 -30.839 1.00 0.00 C ATOM 0 H THR A 66 27.883 10.226 -34.847 1.00 0.00 H new ATOM 0 HA THR A 66 25.982 10.429 -32.613 1.00 0.00 H new ATOM 0 HB THR A 66 28.472 8.678 -32.651 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.895 6.946 -32.495 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.675 7.897 -30.451 1.00 0.00 H new ATOM 0 HG22 THR A 66 28.013 9.644 -30.447 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.333 9.063 -30.529 1.00 0.00 H new ATOM 950 N PHE A 67 27.716 11.742 -31.200 1.00 0.00 N ATOM 951 CA PHE A 67 28.541 12.789 -30.604 1.00 0.00 C ATOM 952 C PHE A 67 28.699 12.576 -29.098 1.00 0.00 C ATOM 953 O PHE A 67 27.731 12.282 -28.396 1.00 0.00 O ATOM 954 CB PHE A 67 27.928 14.164 -30.873 1.00 0.00 C ATOM 955 CG PHE A 67 27.369 14.311 -32.261 1.00 0.00 C ATOM 956 CD1 PHE A 67 26.252 13.591 -32.654 1.00 0.00 C ATOM 957 CD2 PHE A 67 27.961 15.174 -33.169 1.00 0.00 C ATOM 958 CE1 PHE A 67 25.737 13.729 -33.929 1.00 0.00 C ATOM 959 CE2 PHE A 67 27.450 15.315 -34.446 1.00 0.00 C ATOM 960 CZ PHE A 67 26.337 14.592 -34.826 1.00 0.00 C ATOM 0 H PHE A 67 26.977 11.389 -30.592 1.00 0.00 H new ATOM 0 HA PHE A 67 29.529 12.740 -31.063 1.00 0.00 H new ATOM 0 HB2 PHE A 67 27.134 14.347 -30.149 1.00 0.00 H new ATOM 0 HB3 PHE A 67 28.688 14.929 -30.713 1.00 0.00 H new ATOM 0 HD1 PHE A 67 25.779 12.915 -31.957 1.00 0.00 H new ATOM 0 HD2 PHE A 67 28.831 15.743 -32.876 1.00 0.00 H new ATOM 0 HE1 PHE A 67 24.866 13.163 -34.224 1.00 0.00 H new ATOM 0 HE2 PHE A 67 27.921 15.990 -35.145 1.00 0.00 H new ATOM 0 HZ PHE A 67 25.936 14.701 -35.823 1.00 0.00 H new ATOM 970 N TYR A 68 29.930 12.724 -28.609 1.00 0.00 N ATOM 971 CA TYR A 68 30.220 12.545 -27.190 1.00 0.00 C ATOM 972 C TYR A 68 30.139 13.868 -26.433 1.00 0.00 C ATOM 973 O TYR A 68 30.460 13.932 -25.246 1.00 0.00 O ATOM 974 CB TYR A 68 31.609 11.931 -27.019 1.00 0.00 C ATOM 975 CG TYR A 68 31.829 10.719 -27.890 1.00 0.00 C ATOM 976 CD1 TYR A 68 30.870 9.721 -27.966 1.00 0.00 C ATOM 977 CD2 TYR A 68 32.991 10.574 -28.632 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.060 8.609 -28.760 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.191 9.467 -29.431 1.00 0.00 C ATOM 980 CZ TYR A 68 32.222 8.485 -29.492 1.00 0.00 C ATOM 981 OH TYR A 68 32.416 7.380 -30.288 1.00 0.00 O ATOM 0 H TYR A 68 30.742 12.968 -29.177 1.00 0.00 H new ATOM 0 HA TYR A 68 29.469 11.874 -26.773 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.363 12.682 -27.254 1.00 0.00 H new ATOM 0 HB3 TYR A 68 31.751 11.652 -25.975 1.00 0.00 H new ATOM 0 HD1 TYR A 68 29.959 9.816 -27.394 1.00 0.00 H new ATOM 0 HD2 TYR A 68 33.751 11.339 -28.584 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.303 7.840 -28.808 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.100 9.369 -30.005 1.00 0.00 H new ATOM 0 HH TYR A 68 33.153 7.551 -30.911 1.00 0.00 H new ATOM 991 N SER A 69 29.706 14.918 -27.121 1.00 0.00 N ATOM 992 CA SER A 69 29.585 16.235 -26.503 1.00 0.00 C ATOM 993 C SER A 69 28.809 17.193 -27.399 1.00 0.00 C ATOM 994 O SER A 69 28.166 16.778 -28.364 1.00 0.00 O ATOM 995 CB SER A 69 30.971 16.810 -26.202 1.00 0.00 C ATOM 996 OG SER A 69 31.993 15.997 -26.751 1.00 0.00 O ATOM 0 H SER A 69 29.434 14.885 -28.103 1.00 0.00 H new ATOM 0 HA SER A 69 29.035 16.118 -25.569 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.046 17.818 -26.610 1.00 0.00 H new ATOM 0 HB3 SER A 69 31.107 16.892 -25.124 1.00 0.00 H new ATOM 0 HG SER A 69 32.868 16.388 -26.545 1.00 0.00 H new ATOM 1002 N CYS A 70 28.872 18.480 -27.072 1.00 0.00 N ATOM 1003 CA CYS A 70 28.179 19.502 -27.840 1.00 0.00 C ATOM 1004 C CYS A 70 28.502 19.383 -29.327 1.00 0.00 C ATOM 1005 O CYS A 70 29.320 18.557 -29.729 1.00 0.00 O ATOM 1006 CB CYS A 70 28.564 20.889 -27.326 1.00 0.00 C ATOM 1007 SG CYS A 70 28.239 21.138 -25.549 1.00 0.00 S ATOM 0 H CYS A 70 29.399 18.839 -26.276 1.00 0.00 H new ATOM 0 HA CYS A 70 27.106 19.357 -27.715 1.00 0.00 H new ATOM 0 HB2 CYS A 70 29.624 21.055 -27.518 1.00 0.00 H new ATOM 0 HB3 CYS A 70 28.016 21.641 -27.894 1.00 0.00 H new ATOM 1012 N THR A 71 27.851 20.212 -30.136 1.00 0.00 N ATOM 1013 CA THR A 71 28.066 20.196 -31.578 1.00 0.00 C ATOM 1014 C THR A 71 27.193 21.234 -32.272 1.00 0.00 C ATOM 1015 O THR A 71 26.149 21.628 -31.754 1.00 0.00 O ATOM 1016 CB THR A 71 27.762 18.810 -32.176 1.00 0.00 C ATOM 1017 OG1 THR A 71 28.015 18.818 -33.586 1.00 0.00 O ATOM 1018 CG2 THR A 71 26.316 18.418 -31.915 1.00 0.00 C ATOM 0 H THR A 71 27.171 20.903 -29.818 1.00 0.00 H new ATOM 0 HA THR A 71 29.117 20.434 -31.744 1.00 0.00 H new ATOM 0 HB THR A 71 28.413 18.079 -31.697 1.00 0.00 H new ATOM 0 HG1 THR A 71 27.864 17.921 -33.950 1.00 0.00 H new ATOM 0 HG21 THR A 71 26.122 17.436 -32.346 1.00 0.00 H new ATOM 0 HG22 THR A 71 26.136 18.385 -30.840 1.00 0.00 H new ATOM 0 HG23 THR A 71 25.652 19.152 -32.372 1.00 0.00 H new ATOM 1026 N THR A 72 27.624 21.670 -33.450 1.00 0.00 N ATOM 1027 CA THR A 72 26.877 22.659 -34.215 1.00 0.00 C ATOM 1028 C THR A 72 26.432 22.089 -35.558 1.00 0.00 C ATOM 1029 O THR A 72 26.394 22.797 -36.564 1.00 0.00 O ATOM 1030 CB THR A 72 27.709 23.930 -34.461 1.00 0.00 C ATOM 1031 OG1 THR A 72 29.105 23.609 -34.482 1.00 0.00 O ATOM 1032 CG2 THR A 72 27.439 24.968 -33.383 1.00 0.00 C ATOM 0 H THR A 72 28.486 21.354 -33.895 1.00 0.00 H new ATOM 0 HA THR A 72 26.000 22.920 -33.622 1.00 0.00 H new ATOM 0 HB THR A 72 27.419 24.345 -35.426 1.00 0.00 H new ATOM 0 HG1 THR A 72 29.626 24.424 -34.641 1.00 0.00 H new ATOM 0 HG21 THR A 72 28.038 25.858 -33.577 1.00 0.00 H new ATOM 0 HG22 THR A 72 26.382 25.233 -33.390 1.00 0.00 H new ATOM 0 HG23 THR A 72 27.704 24.558 -32.408 1.00 0.00 H new ATOM 1040 N GLU A 73 26.099 20.801 -35.566 1.00 0.00 N ATOM 1041 CA GLU A 73 25.658 20.129 -36.783 1.00 0.00 C ATOM 1042 C GLU A 73 24.158 20.306 -36.996 1.00 0.00 C ATOM 1043 O GLU A 73 23.570 19.676 -37.875 1.00 0.00 O ATOM 1044 CB GLU A 73 25.996 18.640 -36.715 1.00 0.00 C ATOM 1045 CG GLU A 73 27.184 18.243 -37.576 1.00 0.00 C ATOM 1046 CD GLU A 73 26.768 17.652 -38.909 1.00 0.00 C ATOM 1047 OE1 GLU A 73 26.405 16.457 -38.941 1.00 0.00 O ATOM 1048 OE2 GLU A 73 26.806 18.384 -39.921 1.00 0.00 O ATOM 0 H GLU A 73 26.127 20.202 -34.741 1.00 0.00 H new ATOM 0 HA GLU A 73 26.182 20.582 -37.625 1.00 0.00 H new ATOM 0 HB2 GLU A 73 26.203 18.370 -35.679 1.00 0.00 H new ATOM 0 HB3 GLU A 73 25.124 18.064 -37.026 1.00 0.00 H new ATOM 0 HG2 GLU A 73 27.810 19.118 -37.751 1.00 0.00 H new ATOM 0 HG3 GLU A 73 27.793 17.518 -37.036 1.00 0.00 H new ATOM 1055 N GLY A 74 23.545 21.160 -36.185 1.00 0.00 N ATOM 1056 CA GLY A 74 22.117 21.395 -36.302 1.00 0.00 C ATOM 1057 C GLY A 74 21.779 22.851 -36.560 1.00 0.00 C ATOM 1058 O GLY A 74 20.667 23.168 -36.982 1.00 0.00 O ATOM 0 H GLY A 74 24.009 21.693 -35.450 1.00 0.00 H new ATOM 0 HA2 GLY A 74 21.719 20.785 -37.113 1.00 0.00 H new ATOM 0 HA3 GLY A 74 21.624 21.069 -35.386 1.00 0.00 H new ATOM 1122 N HIS A 79 26.448 28.126 -32.734 1.00 0.00 N ATOM 1123 CA HIS A 79 26.249 27.920 -31.305 1.00 0.00 C ATOM 1124 C HIS A 79 26.270 26.435 -30.962 1.00 0.00 C ATOM 1125 O HIS A 79 25.434 25.666 -31.434 1.00 0.00 O ATOM 1126 CB HIS A 79 24.926 28.538 -30.854 1.00 0.00 C ATOM 1127 CG HIS A 79 24.580 29.804 -31.575 1.00 0.00 C ATOM 1128 ND1 HIS A 79 25.508 30.780 -31.871 1.00 0.00 N ATOM 1129 CD2 HIS A 79 23.398 30.252 -32.063 1.00 0.00 C ATOM 1130 CE1 HIS A 79 24.914 31.773 -32.508 1.00 0.00 C ATOM 1131 NE2 HIS A 79 23.634 31.477 -32.637 1.00 0.00 N ATOM 0 HA HIS A 79 27.068 28.410 -30.778 1.00 0.00 H new ATOM 0 HB2 HIS A 79 24.126 27.813 -31.005 1.00 0.00 H new ATOM 0 HB3 HIS A 79 24.975 28.741 -29.784 1.00 0.00 H new ATOM 0 HD2 HIS A 79 22.448 29.741 -32.010 1.00 0.00 H new ATOM 0 HE1 HIS A 79 25.394 32.673 -32.863 1.00 0.00 H new ATOM 0 HE2 HIS A 79 22.933 32.064 -33.090 1.00 0.00 H new ATOM 1140 N LEU A 80 27.231 26.043 -30.134 1.00 0.00 N ATOM 1141 CA LEU A 80 27.363 24.654 -29.722 1.00 0.00 C ATOM 1142 C LEU A 80 26.135 24.210 -28.937 1.00 0.00 C ATOM 1143 O LEU A 80 25.587 24.975 -28.143 1.00 0.00 O ATOM 1144 CB LEU A 80 28.621 24.472 -28.869 1.00 0.00 C ATOM 1145 CG LEU A 80 29.927 24.343 -29.654 1.00 0.00 C ATOM 1146 CD1 LEU A 80 30.135 25.552 -30.553 1.00 0.00 C ATOM 1147 CD2 LEU A 80 31.102 24.178 -28.702 1.00 0.00 C ATOM 0 H LEU A 80 27.930 26.669 -29.735 1.00 0.00 H new ATOM 0 HA LEU A 80 27.448 24.037 -30.617 1.00 0.00 H new ATOM 0 HB2 LEU A 80 28.706 25.321 -28.190 1.00 0.00 H new ATOM 0 HB3 LEU A 80 28.497 23.582 -28.252 1.00 0.00 H new ATOM 0 HG LEU A 80 29.864 23.456 -30.285 1.00 0.00 H new ATOM 0 HD11 LEU A 80 31.070 25.440 -31.103 1.00 0.00 H new ATOM 0 HD12 LEU A 80 29.307 25.628 -31.257 1.00 0.00 H new ATOM 0 HD13 LEU A 80 30.178 26.455 -29.944 1.00 0.00 H new ATOM 0 HD21 LEU A 80 32.025 24.087 -29.275 1.00 0.00 H new ATOM 0 HD22 LEU A 80 31.165 25.048 -28.048 1.00 0.00 H new ATOM 0 HD23 LEU A 80 30.959 23.281 -28.100 1.00 0.00 H new ATOM 1159 N TRP A 81 25.703 22.974 -29.162 1.00 0.00 N ATOM 1160 CA TRP A 81 24.536 22.444 -28.471 1.00 0.00 C ATOM 1161 C TRP A 81 24.691 20.953 -28.192 1.00 0.00 C ATOM 1162 O TRP A 81 25.211 20.205 -29.019 1.00 0.00 O ATOM 1163 CB TRP A 81 23.276 22.690 -29.301 1.00 0.00 C ATOM 1164 CG TRP A 81 23.248 21.918 -30.584 1.00 0.00 C ATOM 1165 CD1 TRP A 81 23.531 22.390 -31.833 1.00 0.00 C ATOM 1166 CD2 TRP A 81 22.917 20.532 -30.743 1.00 0.00 C ATOM 1167 NE1 TRP A 81 23.394 21.385 -32.758 1.00 0.00 N ATOM 1168 CE2 TRP A 81 23.018 20.236 -32.115 1.00 0.00 C ATOM 1169 CE3 TRP A 81 22.545 19.515 -29.859 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 22.760 18.965 -32.622 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 22.290 18.255 -30.365 1.00 0.00 C ATOM 1172 CH2 TRP A 81 22.399 17.988 -31.735 1.00 0.00 C ATOM 0 H TRP A 81 26.142 22.324 -29.814 1.00 0.00 H new ATOM 0 HA TRP A 81 24.446 22.962 -27.516 1.00 0.00 H new ATOM 0 HB2 TRP A 81 22.401 22.425 -28.707 1.00 0.00 H new ATOM 0 HB3 TRP A 81 23.199 23.754 -29.524 1.00 0.00 H new ATOM 0 HD1 TRP A 81 23.820 23.405 -32.060 1.00 0.00 H new ATOM 0 HE1 TRP A 81 23.547 21.479 -33.762 1.00 0.00 H new ATOM 0 HE3 TRP A 81 22.459 19.711 -28.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 22.842 18.758 -33.679 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 22.001 17.462 -29.692 1.00 0.00 H new ATOM 0 HH2 TRP A 81 22.194 16.992 -32.099 1.00 0.00 H new ATOM 1183 N CYS A 82 24.230 20.529 -27.019 1.00 0.00 N ATOM 1184 CA CYS A 82 24.310 19.128 -26.625 1.00 0.00 C ATOM 1185 C CYS A 82 22.920 18.574 -26.326 1.00 0.00 C ATOM 1186 O CYS A 82 21.968 19.331 -26.139 1.00 0.00 O ATOM 1187 CB CYS A 82 25.210 18.971 -25.399 1.00 0.00 C ATOM 1188 SG CYS A 82 24.370 19.276 -23.810 1.00 0.00 S ATOM 0 H CYS A 82 23.797 21.137 -26.324 1.00 0.00 H new ATOM 0 HA CYS A 82 24.739 18.564 -27.453 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.622 17.962 -25.391 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.052 19.658 -25.490 1.00 0.00 H new ATOM 1193 N SER A 83 22.809 17.250 -26.284 1.00 0.00 N ATOM 1194 CA SER A 83 21.532 16.603 -26.007 1.00 0.00 C ATOM 1195 C SER A 83 21.361 16.362 -24.511 1.00 0.00 C ATOM 1196 O SER A 83 22.327 16.076 -23.805 1.00 0.00 O ATOM 1197 CB SER A 83 21.429 15.281 -26.769 1.00 0.00 C ATOM 1198 OG SER A 83 20.098 14.792 -26.768 1.00 0.00 O ATOM 0 H SER A 83 23.585 16.606 -26.438 1.00 0.00 H new ATOM 0 HA SER A 83 20.734 17.266 -26.342 1.00 0.00 H new ATOM 0 HB2 SER A 83 21.767 15.423 -27.796 1.00 0.00 H new ATOM 0 HB3 SER A 83 22.091 14.544 -26.315 1.00 0.00 H new ATOM 0 HG SER A 83 19.480 15.527 -26.573 1.00 0.00 H new ATOM 1204 N THR A 84 20.128 16.485 -24.033 1.00 0.00 N ATOM 1205 CA THR A 84 19.834 16.286 -22.619 1.00 0.00 C ATOM 1206 C THR A 84 18.964 15.051 -22.402 1.00 0.00 C ATOM 1207 O THR A 84 18.983 14.446 -21.331 1.00 0.00 O ATOM 1208 CB THR A 84 19.128 17.517 -22.019 1.00 0.00 C ATOM 1209 OG1 THR A 84 17.740 17.508 -22.372 1.00 0.00 O ATOM 1210 CG2 THR A 84 19.776 18.804 -22.516 1.00 0.00 C ATOM 0 H THR A 84 19.316 16.721 -24.604 1.00 0.00 H new ATOM 0 HA THR A 84 20.788 16.140 -22.113 1.00 0.00 H new ATOM 0 HB THR A 84 19.225 17.473 -20.934 1.00 0.00 H new ATOM 0 HG1 THR A 84 17.213 17.884 -21.636 1.00 0.00 H new ATOM 0 HG21 THR A 84 19.263 19.661 -22.081 1.00 0.00 H new ATOM 0 HG22 THR A 84 20.825 18.821 -22.221 1.00 0.00 H new ATOM 0 HG23 THR A 84 19.704 18.851 -23.603 1.00 0.00 H new ATOM 1218 N THR A 85 18.206 14.679 -23.430 1.00 0.00 N ATOM 1219 CA THR A 85 17.334 13.512 -23.355 1.00 0.00 C ATOM 1220 C THR A 85 17.754 12.452 -24.368 1.00 0.00 C ATOM 1221 O THR A 85 17.712 12.685 -25.576 1.00 0.00 O ATOM 1222 CB THR A 85 15.862 13.891 -23.611 1.00 0.00 C ATOM 1223 OG1 THR A 85 15.371 14.703 -22.537 1.00 0.00 O ATOM 1224 CG2 THR A 85 14.995 12.647 -23.748 1.00 0.00 C ATOM 0 H THR A 85 18.178 15.169 -24.324 1.00 0.00 H new ATOM 0 HA THR A 85 17.428 13.110 -22.346 1.00 0.00 H new ATOM 0 HB THR A 85 15.813 14.452 -24.544 1.00 0.00 H new ATOM 0 HG1 THR A 85 14.436 14.941 -22.708 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.961 12.942 -23.928 1.00 0.00 H new ATOM 0 HG22 THR A 85 15.352 12.045 -24.584 1.00 0.00 H new ATOM 0 HG23 THR A 85 15.051 12.062 -22.830 1.00 0.00 H new ATOM 1232 N SER A 86 18.161 11.288 -23.870 1.00 0.00 N ATOM 1233 CA SER A 86 18.587 10.194 -24.736 1.00 0.00 C ATOM 1234 C SER A 86 17.658 10.068 -25.938 1.00 0.00 C ATOM 1235 O SER A 86 18.072 9.642 -27.017 1.00 0.00 O ATOM 1236 CB SER A 86 18.616 8.879 -23.956 1.00 0.00 C ATOM 1237 OG SER A 86 19.938 8.542 -23.571 1.00 0.00 O ATOM 0 H SER A 86 18.205 11.078 -22.873 1.00 0.00 H new ATOM 0 HA SER A 86 19.592 10.414 -25.095 1.00 0.00 H new ATOM 0 HB2 SER A 86 17.987 8.964 -23.070 1.00 0.00 H new ATOM 0 HB3 SER A 86 18.198 8.080 -24.568 1.00 0.00 H new ATOM 0 HG SER A 86 19.929 7.698 -23.072 1.00 0.00 H new ATOM 1243 N ASN A 87 16.400 10.445 -25.741 1.00 0.00 N ATOM 1244 CA ASN A 87 15.403 10.379 -26.803 1.00 0.00 C ATOM 1245 C ASN A 87 15.289 11.716 -27.524 1.00 0.00 C ATOM 1246 O ASN A 87 14.196 12.267 -27.650 1.00 0.00 O ATOM 1247 CB ASN A 87 14.041 9.996 -26.225 1.00 0.00 C ATOM 1248 CG ASN A 87 13.402 8.832 -26.955 1.00 0.00 C ATOM 1249 OD1 ASN A 87 14.022 8.206 -27.816 1.00 0.00 O ATOM 1250 ND2 ASN A 87 12.153 8.537 -26.614 1.00 0.00 N ATOM 0 H ASN A 87 16.045 10.801 -24.853 1.00 0.00 H new ATOM 0 HA ASN A 87 15.722 9.620 -27.518 1.00 0.00 H new ATOM 0 HB2 ASN A 87 14.157 9.740 -25.172 1.00 0.00 H new ATOM 0 HB3 ASN A 87 13.376 10.858 -26.272 1.00 0.00 H new ATOM 0 HD21 ASN A 87 11.668 7.764 -27.071 1.00 0.00 H new ATOM 0 HD22 ASN A 87 11.678 9.083 -25.895 1.00 0.00 H new ATOM 1257 N TYR A 88 16.415 12.233 -27.999 1.00 0.00 N ATOM 1258 CA TYR A 88 16.414 13.503 -28.709 1.00 0.00 C ATOM 1259 C TYR A 88 15.762 13.344 -30.073 1.00 0.00 C ATOM 1260 O TYR A 88 15.314 14.317 -30.679 1.00 0.00 O ATOM 1261 CB TYR A 88 17.834 14.037 -28.881 1.00 0.00 C ATOM 1262 CG TYR A 88 17.915 15.165 -29.881 1.00 0.00 C ATOM 1263 CD1 TYR A 88 17.975 14.907 -31.243 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.912 16.489 -29.463 1.00 0.00 C ATOM 1265 CE1 TYR A 88 18.033 15.937 -32.162 1.00 0.00 C ATOM 1266 CE2 TYR A 88 17.970 17.525 -30.375 1.00 0.00 C ATOM 1267 CZ TYR A 88 18.031 17.243 -31.723 1.00 0.00 C ATOM 1268 OH TYR A 88 18.087 18.272 -32.635 1.00 0.00 O ATOM 0 H TYR A 88 17.332 11.796 -27.906 1.00 0.00 H new ATOM 0 HA TYR A 88 15.843 14.217 -28.115 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.207 14.384 -27.917 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.487 13.225 -29.202 1.00 0.00 H new ATOM 0 HD1 TYR A 88 17.976 13.884 -31.590 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.864 16.713 -28.408 1.00 0.00 H new ATOM 0 HE1 TYR A 88 18.080 15.720 -33.219 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.968 18.550 -30.034 1.00 0.00 H new ATOM 0 HH TYR A 88 18.076 19.130 -32.161 1.00 0.00 H new ATOM 1278 N GLU A 89 15.712 12.106 -30.548 1.00 0.00 N ATOM 1279 CA GLU A 89 15.114 11.810 -31.838 1.00 0.00 C ATOM 1280 C GLU A 89 13.602 11.974 -31.774 1.00 0.00 C ATOM 1281 O GLU A 89 12.938 12.121 -32.801 1.00 0.00 O ATOM 1282 CB GLU A 89 15.470 10.388 -32.277 1.00 0.00 C ATOM 1283 CG GLU A 89 16.890 10.249 -32.800 1.00 0.00 C ATOM 1284 CD GLU A 89 17.144 8.901 -33.444 1.00 0.00 C ATOM 1285 OE1 GLU A 89 16.198 8.336 -34.031 1.00 0.00 O ATOM 1286 OE2 GLU A 89 18.290 8.411 -33.363 1.00 0.00 O ATOM 0 H GLU A 89 16.080 11.291 -30.056 1.00 0.00 H new ATOM 0 HA GLU A 89 15.511 12.513 -32.570 1.00 0.00 H new ATOM 0 HB2 GLU A 89 15.335 9.712 -31.433 1.00 0.00 H new ATOM 0 HB3 GLU A 89 14.773 10.072 -33.053 1.00 0.00 H new ATOM 0 HG2 GLU A 89 17.084 11.037 -33.527 1.00 0.00 H new ATOM 0 HG3 GLU A 89 17.592 10.393 -31.978 1.00 0.00 H new ATOM 1293 N GLN A 90 13.064 11.944 -30.560 1.00 0.00 N ATOM 1294 CA GLN A 90 11.627 12.084 -30.358 1.00 0.00 C ATOM 1295 C GLN A 90 11.320 13.274 -29.458 1.00 0.00 C ATOM 1296 O GLN A 90 10.341 13.991 -29.668 1.00 0.00 O ATOM 1297 CB GLN A 90 11.058 10.803 -29.755 1.00 0.00 C ATOM 1298 CG GLN A 90 11.987 9.612 -29.906 1.00 0.00 C ATOM 1299 CD GLN A 90 11.415 8.343 -29.307 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.357 8.361 -28.677 1.00 0.00 O ATOM 1301 NE2 GLN A 90 12.112 7.230 -29.501 1.00 0.00 N ATOM 0 H GLN A 90 13.601 11.824 -29.701 1.00 0.00 H new ATOM 0 HA GLN A 90 11.157 12.260 -31.326 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.854 10.966 -28.697 1.00 0.00 H new ATOM 0 HB3 GLN A 90 10.105 10.576 -30.232 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.192 9.449 -30.964 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.940 9.837 -29.427 1.00 0.00 H new ATOM 0 HE21 GLN A 90 12.984 7.260 -30.029 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.775 6.345 -29.122 1.00 0.00 H new ATOM 1310 N ASP A 91 12.169 13.483 -28.459 1.00 0.00 N ATOM 1311 CA ASP A 91 11.996 14.592 -27.529 1.00 0.00 C ATOM 1312 C ASP A 91 12.646 15.856 -28.082 1.00 0.00 C ATOM 1313 O ASP A 91 12.163 16.965 -27.857 1.00 0.00 O ATOM 1314 CB ASP A 91 12.596 14.245 -26.165 1.00 0.00 C ATOM 1315 CG ASP A 91 11.699 13.330 -25.354 1.00 0.00 C ATOM 1316 OD1 ASP A 91 10.811 13.847 -24.643 1.00 0.00 O ATOM 1317 OD2 ASP A 91 11.885 12.098 -25.429 1.00 0.00 O ATOM 0 H ASP A 91 12.984 12.899 -28.272 1.00 0.00 H new ATOM 0 HA ASP A 91 10.928 14.773 -27.405 1.00 0.00 H new ATOM 0 HB2 ASP A 91 13.564 13.766 -26.309 1.00 0.00 H new ATOM 0 HB3 ASP A 91 12.775 15.163 -25.606 1.00 0.00 H new ATOM 1322 N GLN A 92 13.741 15.677 -28.815 1.00 0.00 N ATOM 1323 CA GLN A 92 14.456 16.802 -29.409 1.00 0.00 C ATOM 1324 C GLN A 92 14.943 17.773 -28.338 1.00 0.00 C ATOM 1325 O GLN A 92 15.026 18.978 -28.575 1.00 0.00 O ATOM 1326 CB GLN A 92 13.556 17.534 -30.404 1.00 0.00 C ATOM 1327 CG GLN A 92 12.621 16.615 -31.171 1.00 0.00 C ATOM 1328 CD GLN A 92 12.553 16.953 -32.647 1.00 0.00 C ATOM 1329 OE1 GLN A 92 11.860 17.888 -33.050 1.00 0.00 O ATOM 1330 NE2 GLN A 92 13.275 16.195 -33.463 1.00 0.00 N ATOM 0 H GLN A 92 14.152 14.765 -29.012 1.00 0.00 H new ATOM 0 HA GLN A 92 15.326 16.407 -29.934 1.00 0.00 H new ATOM 0 HB2 GLN A 92 12.964 18.275 -29.868 1.00 0.00 H new ATOM 0 HB3 GLN A 92 14.180 18.077 -31.113 1.00 0.00 H new ATOM 0 HG2 GLN A 92 12.954 15.584 -31.053 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.621 16.679 -30.741 1.00 0.00 H new ATOM 0 HE21 GLN A 92 13.835 15.430 -33.086 1.00 0.00 H new ATOM 0 HE22 GLN A 92 13.270 16.377 -34.467 1.00 0.00 H new ATOM 1339 N LYS A 93 15.267 17.244 -27.164 1.00 0.00 N ATOM 1340 CA LYS A 93 15.749 18.072 -26.064 1.00 0.00 C ATOM 1341 C LYS A 93 17.246 18.323 -26.193 1.00 0.00 C ATOM 1342 O LYS A 93 18.053 17.399 -26.093 1.00 0.00 O ATOM 1343 CB LYS A 93 15.443 17.406 -24.721 1.00 0.00 C ATOM 1344 CG LYS A 93 14.029 17.660 -24.229 1.00 0.00 C ATOM 1345 CD LYS A 93 13.047 17.736 -25.387 1.00 0.00 C ATOM 1346 CE LYS A 93 11.607 17.679 -24.903 1.00 0.00 C ATOM 1347 NZ LYS A 93 10.726 18.601 -25.673 1.00 0.00 N ATOM 0 H LYS A 93 15.205 16.249 -26.949 1.00 0.00 H new ATOM 0 HA LYS A 93 15.232 19.030 -26.109 1.00 0.00 H new ATOM 0 HB2 LYS A 93 15.600 16.331 -24.813 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.150 17.769 -23.975 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.730 16.864 -23.548 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.000 18.591 -23.663 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.209 18.660 -25.942 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.233 16.913 -26.077 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.233 16.659 -24.994 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.569 17.939 -23.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.733 18.424 -25.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.971 19.586 -25.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.858 18.437 -26.692 1.00 0.00 H new ATOM 1361 N TYR A 94 17.609 19.580 -26.420 1.00 0.00 N ATOM 1362 CA TYR A 94 19.011 19.952 -26.569 1.00 0.00 C ATOM 1363 C TYR A 94 19.318 21.250 -25.830 1.00 0.00 C ATOM 1364 O TYR A 94 18.424 22.048 -25.551 1.00 0.00 O ATOM 1365 CB TYR A 94 19.363 20.106 -28.049 1.00 0.00 C ATOM 1366 CG TYR A 94 18.917 21.424 -28.643 1.00 0.00 C ATOM 1367 CD1 TYR A 94 19.604 22.600 -28.367 1.00 0.00 C ATOM 1368 CD2 TYR A 94 17.809 21.492 -29.479 1.00 0.00 C ATOM 1369 CE1 TYR A 94 19.200 23.806 -28.908 1.00 0.00 C ATOM 1370 CE2 TYR A 94 17.399 22.694 -30.023 1.00 0.00 C ATOM 1371 CZ TYR A 94 18.096 23.847 -29.734 1.00 0.00 C ATOM 1372 OH TYR A 94 17.691 25.047 -30.275 1.00 0.00 O ATOM 0 H TYR A 94 16.954 20.357 -26.505 1.00 0.00 H new ATOM 0 HA TYR A 94 19.616 19.157 -26.134 1.00 0.00 H new ATOM 0 HB2 TYR A 94 20.442 20.009 -28.169 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.905 19.291 -28.610 1.00 0.00 H new ATOM 0 HD1 TYR A 94 20.468 22.571 -27.719 1.00 0.00 H new ATOM 0 HD2 TYR A 94 17.260 20.591 -29.707 1.00 0.00 H new ATOM 0 HE1 TYR A 94 19.746 24.711 -28.685 1.00 0.00 H new ATOM 0 HE2 TYR A 94 16.536 22.730 -30.672 1.00 0.00 H new ATOM 0 HH TYR A 94 16.899 24.903 -30.834 1.00 0.00 H new ATOM 1382 N SER A 95 20.594 21.454 -25.525 1.00 0.00 N ATOM 1383 CA SER A 95 21.035 22.655 -24.829 1.00 0.00 C ATOM 1384 C SER A 95 22.151 23.338 -25.609 1.00 0.00 C ATOM 1385 O SER A 95 22.529 22.884 -26.688 1.00 0.00 O ATOM 1386 CB SER A 95 21.517 22.307 -23.420 1.00 0.00 C ATOM 1387 OG SER A 95 21.279 20.942 -23.121 1.00 0.00 O ATOM 0 H SER A 95 21.344 20.800 -25.750 1.00 0.00 H new ATOM 0 HA SER A 95 20.190 23.340 -24.751 1.00 0.00 H new ATOM 0 HB2 SER A 95 22.582 22.521 -23.334 1.00 0.00 H new ATOM 0 HB3 SER A 95 21.006 22.936 -22.692 1.00 0.00 H new ATOM 0 HG SER A 95 22.088 20.421 -23.306 1.00 0.00 H new ATOM 1393 N PHE A 96 22.677 24.427 -25.065 1.00 0.00 N ATOM 1394 CA PHE A 96 23.749 25.160 -25.725 1.00 0.00 C ATOM 1395 C PHE A 96 25.069 24.974 -24.987 1.00 0.00 C ATOM 1396 O PHE A 96 25.125 24.312 -23.951 1.00 0.00 O ATOM 1397 CB PHE A 96 23.407 26.646 -25.814 1.00 0.00 C ATOM 1398 CG PHE A 96 22.482 26.981 -26.949 1.00 0.00 C ATOM 1399 CD1 PHE A 96 22.711 26.472 -28.218 1.00 0.00 C ATOM 1400 CD2 PHE A 96 21.386 27.804 -26.749 1.00 0.00 C ATOM 1401 CE1 PHE A 96 21.863 26.777 -29.266 1.00 0.00 C ATOM 1402 CE2 PHE A 96 20.534 28.114 -27.792 1.00 0.00 C ATOM 1403 CZ PHE A 96 20.773 27.599 -29.052 1.00 0.00 C ATOM 0 H PHE A 96 22.381 24.821 -24.172 1.00 0.00 H new ATOM 0 HA PHE A 96 23.856 24.761 -26.734 1.00 0.00 H new ATOM 0 HB2 PHE A 96 22.949 26.962 -24.877 1.00 0.00 H new ATOM 0 HB3 PHE A 96 24.329 27.217 -25.926 1.00 0.00 H new ATOM 0 HD1 PHE A 96 23.562 25.830 -28.390 1.00 0.00 H new ATOM 0 HD2 PHE A 96 21.195 28.208 -25.766 1.00 0.00 H new ATOM 0 HE1 PHE A 96 22.052 26.374 -30.250 1.00 0.00 H new ATOM 0 HE2 PHE A 96 19.683 28.757 -27.623 1.00 0.00 H new ATOM 0 HZ PHE A 96 20.108 27.839 -29.869 1.00 0.00 H new ATOM 1413 N CYS A 97 26.127 25.563 -25.529 1.00 0.00 N ATOM 1414 CA CYS A 97 27.449 25.464 -24.924 1.00 0.00 C ATOM 1415 C CYS A 97 28.318 26.653 -25.315 1.00 0.00 C ATOM 1416 O CYS A 97 28.364 27.044 -26.480 1.00 0.00 O ATOM 1417 CB CYS A 97 28.130 24.163 -25.346 1.00 0.00 C ATOM 1418 SG CYS A 97 26.997 22.743 -25.502 1.00 0.00 S ATOM 0 H CYS A 97 26.096 26.114 -26.387 1.00 0.00 H new ATOM 0 HA CYS A 97 27.325 25.468 -23.841 1.00 0.00 H new ATOM 0 HB2 CYS A 97 28.630 24.321 -26.301 1.00 0.00 H new ATOM 0 HB3 CYS A 97 28.903 23.918 -24.618 1.00 0.00 H new ATOM 1423 N THR A 98 29.008 27.221 -24.333 1.00 0.00 N ATOM 1424 CA THR A 98 29.876 28.361 -24.569 1.00 0.00 C ATOM 1425 C THR A 98 31.109 27.959 -25.369 1.00 0.00 C ATOM 1426 O THR A 98 31.195 28.218 -26.570 1.00 0.00 O ATOM 1427 CB THR A 98 30.321 28.995 -23.242 1.00 0.00 C ATOM 1428 OG1 THR A 98 31.186 28.098 -22.534 1.00 0.00 O ATOM 1429 CG2 THR A 98 29.119 29.335 -22.374 1.00 0.00 C ATOM 0 H THR A 98 28.981 26.907 -23.363 1.00 0.00 H new ATOM 0 HA THR A 98 29.303 29.089 -25.143 1.00 0.00 H new ATOM 0 HB THR A 98 30.859 29.915 -23.469 1.00 0.00 H new ATOM 0 HG1 THR A 98 31.466 28.511 -21.691 1.00 0.00 H new ATOM 0 HG21 THR A 98 29.459 29.782 -21.440 1.00 0.00 H new ATOM 0 HG22 THR A 98 28.477 30.040 -22.902 1.00 0.00 H new ATOM 0 HG23 THR A 98 28.558 28.426 -22.157 1.00 0.00 H new