USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 492 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 32 GLN : amide:sc= 2.11 K(o=3.3,f=-2.7!) USER MOD Set 1.2: A 33 TYR OH : rot 136:sc= 1.19 USER MOD Set 2.1: A 7 SER OG : rot 142:sc= 1.81 USER MOD Set 2.2: A 10 THR OG1 : rot 180:sc= 0.986 USER MOD Single : A 1 LYS N :NH3+ -165:sc= 1.09 (180deg=0.92) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.0197 K(o=-0.02,f=-3.2) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -74:sc= 1.26 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.0328 X(o=-0.033,f=-0.062) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.305 K(o=-0.31,f=-3.6!) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.06) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 25.875 33.922 38.022 1.00 0.00 N ATOM 2 CA LYS A 1 27.007 33.014 37.737 1.00 0.00 C ATOM 3 C LYS A 1 26.890 32.440 36.329 1.00 0.00 C ATOM 4 O LYS A 1 25.806 32.381 35.755 1.00 0.00 O ATOM 5 CB LYS A 1 27.163 31.900 38.794 1.00 0.00 C ATOM 6 CG LYS A 1 27.818 32.418 40.086 1.00 0.00 C ATOM 7 CD LYS A 1 28.175 31.266 41.042 1.00 0.00 C ATOM 8 CE LYS A 1 28.869 31.757 42.322 1.00 0.00 C ATOM 9 NZ LYS A 1 30.282 32.152 42.100 1.00 0.00 N ATOM 0 H1 LYS A 1 26.092 34.494 38.863 1.00 0.00 H new ATOM 0 H2 LYS A 1 25.720 34.550 37.207 1.00 0.00 H new ATOM 0 H3 LYS A 1 25.016 33.362 38.196 1.00 0.00 H new ATOM 0 HA LYS A 1 27.918 33.609 37.793 1.00 0.00 H new ATOM 0 HB2 LYS A 1 26.184 31.482 39.027 1.00 0.00 H new ATOM 0 HB3 LYS A 1 27.766 31.091 38.381 1.00 0.00 H new ATOM 0 HG2 LYS A 1 28.719 32.978 39.838 1.00 0.00 H new ATOM 0 HG3 LYS A 1 27.140 33.110 40.586 1.00 0.00 H new ATOM 0 HD2 LYS A 1 27.267 30.725 41.309 1.00 0.00 H new ATOM 0 HD3 LYS A 1 28.827 30.560 40.527 1.00 0.00 H new ATOM 0 HE2 LYS A 1 28.318 32.608 42.724 1.00 0.00 H new ATOM 0 HE3 LYS A 1 28.832 30.969 43.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 30.698 32.474 42.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 30.819 31.336 41.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 30.321 32.924 41.404 1.00 0.00 H new ATOM 25 N GLU A 2 28.018 32.011 35.774 1.00 0.00 N ATOM 26 CA GLU A 2 28.160 31.369 34.460 1.00 0.00 C ATOM 27 C GLU A 2 29.391 30.433 34.431 1.00 0.00 C ATOM 28 O GLU A 2 30.335 30.621 35.206 1.00 0.00 O ATOM 29 CB GLU A 2 28.233 32.438 33.357 1.00 0.00 C ATOM 30 CG GLU A 2 29.337 33.496 33.557 1.00 0.00 C ATOM 31 CD GLU A 2 29.656 34.310 32.293 1.00 0.00 C ATOM 32 OE1 GLU A 2 29.197 33.966 31.177 1.00 0.00 O ATOM 33 OE2 GLU A 2 30.425 35.298 32.387 1.00 0.00 O ATOM 0 H GLU A 2 28.914 32.105 36.252 1.00 0.00 H new ATOM 0 HA GLU A 2 27.282 30.750 34.274 1.00 0.00 H new ATOM 0 HB2 GLU A 2 28.393 31.942 32.400 1.00 0.00 H new ATOM 0 HB3 GLU A 2 27.270 32.945 33.297 1.00 0.00 H new ATOM 0 HG2 GLU A 2 29.033 34.179 34.350 1.00 0.00 H new ATOM 0 HG3 GLU A 2 30.246 32.999 33.896 1.00 0.00 H new ATOM 40 N GLY A 3 29.396 29.416 33.564 1.00 0.00 N ATOM 41 CA GLY A 3 30.485 28.428 33.502 1.00 0.00 C ATOM 42 C GLY A 3 30.305 27.350 32.431 1.00 0.00 C ATOM 43 O GLY A 3 29.276 27.299 31.754 1.00 0.00 O ATOM 0 H GLY A 3 28.651 29.252 32.887 1.00 0.00 H new ATOM 0 HA2 GLY A 3 31.423 28.952 33.318 1.00 0.00 H new ATOM 0 HA3 GLY A 3 30.575 27.944 34.475 1.00 0.00 H new ATOM 47 N TYR A 4 31.299 26.472 32.267 1.00 0.00 N ATOM 48 CA TYR A 4 31.291 25.410 31.265 1.00 0.00 C ATOM 49 C TYR A 4 30.170 24.379 31.516 1.00 0.00 C ATOM 50 O TYR A 4 29.916 23.971 32.654 1.00 0.00 O ATOM 51 CB TYR A 4 32.670 24.733 31.239 1.00 0.00 C ATOM 52 CG TYR A 4 33.848 25.611 30.835 1.00 0.00 C ATOM 53 CD1 TYR A 4 34.167 25.803 29.475 1.00 0.00 C ATOM 54 CD2 TYR A 4 34.655 26.205 31.825 1.00 0.00 C ATOM 55 CE1 TYR A 4 35.285 26.586 29.113 1.00 0.00 C ATOM 56 CE2 TYR A 4 35.774 26.979 31.469 1.00 0.00 C ATOM 57 CZ TYR A 4 36.093 27.176 30.112 1.00 0.00 C ATOM 58 OH TYR A 4 37.167 27.945 29.783 1.00 0.00 O ATOM 0 H TYR A 4 32.144 26.482 32.838 1.00 0.00 H new ATOM 0 HA TYR A 4 31.084 25.856 30.292 1.00 0.00 H new ATOM 0 HB2 TYR A 4 32.870 24.328 32.231 1.00 0.00 H new ATOM 0 HB3 TYR A 4 32.623 23.888 30.553 1.00 0.00 H new ATOM 0 HD1 TYR A 4 33.555 25.350 28.709 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.412 26.065 32.868 1.00 0.00 H new ATOM 0 HE1 TYR A 4 35.523 26.735 28.070 1.00 0.00 H new ATOM 0 HE2 TYR A 4 36.389 27.423 32.238 1.00 0.00 H new ATOM 0 HH TYR A 4 37.602 28.267 30.600 1.00 0.00 H new ATOM 68 N LEU A 5 29.529 23.915 30.438 1.00 0.00 N ATOM 69 CA LEU A 5 28.612 22.769 30.445 1.00 0.00 C ATOM 70 C LEU A 5 29.415 21.501 30.784 1.00 0.00 C ATOM 71 O LEU A 5 30.358 21.176 30.060 1.00 0.00 O ATOM 72 CB LEU A 5 27.944 22.679 29.055 1.00 0.00 C ATOM 73 CG LEU A 5 26.957 21.507 28.875 1.00 0.00 C ATOM 74 CD1 LEU A 5 25.612 21.775 29.547 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.691 21.276 27.387 1.00 0.00 C ATOM 0 H LEU A 5 29.636 24.335 29.515 1.00 0.00 H new ATOM 0 HA LEU A 5 27.829 22.880 31.195 1.00 0.00 H new ATOM 0 HB2 LEU A 5 27.414 23.612 28.863 1.00 0.00 H new ATOM 0 HB3 LEU A 5 28.725 22.595 28.299 1.00 0.00 H new ATOM 0 HG LEU A 5 27.418 20.635 29.338 1.00 0.00 H new ATOM 0 HD11 LEU A 5 24.952 20.922 29.393 1.00 0.00 H new ATOM 0 HD12 LEU A 5 25.763 21.928 30.616 1.00 0.00 H new ATOM 0 HD13 LEU A 5 25.160 22.667 29.113 1.00 0.00 H new ATOM 0 HD21 LEU A 5 25.993 20.447 27.266 1.00 0.00 H new ATOM 0 HD22 LEU A 5 26.262 22.178 26.950 1.00 0.00 H new ATOM 0 HD23 LEU A 5 27.628 21.038 26.883 1.00 0.00 H new ATOM 87 N VAL A 6 29.050 20.802 31.866 1.00 0.00 N ATOM 88 CA VAL A 6 29.810 19.678 32.457 1.00 0.00 C ATOM 89 C VAL A 6 29.171 18.318 32.141 1.00 0.00 C ATOM 90 O VAL A 6 27.979 18.240 31.843 1.00 0.00 O ATOM 91 CB VAL A 6 30.022 19.924 33.971 1.00 0.00 C ATOM 92 CG1 VAL A 6 28.723 20.038 34.776 1.00 0.00 C ATOM 93 CG2 VAL A 6 30.911 18.881 34.658 1.00 0.00 C ATOM 0 H VAL A 6 28.190 21.005 32.376 1.00 0.00 H new ATOM 0 HA VAL A 6 30.796 19.637 31.994 1.00 0.00 H new ATOM 0 HB VAL A 6 30.532 20.887 33.976 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.960 20.210 35.826 1.00 0.00 H new ATOM 0 HG12 VAL A 6 28.132 20.871 34.396 1.00 0.00 H new ATOM 0 HG13 VAL A 6 28.153 19.114 34.679 1.00 0.00 H new ATOM 0 HG21 VAL A 6 31.009 19.126 35.716 1.00 0.00 H new ATOM 0 HG22 VAL A 6 30.460 17.894 34.554 1.00 0.00 H new ATOM 0 HG23 VAL A 6 31.897 18.880 34.193 1.00 0.00 H new ATOM 103 N SER A 7 29.946 17.232 32.165 1.00 0.00 N ATOM 104 CA SER A 7 29.446 15.858 32.023 1.00 0.00 C ATOM 105 C SER A 7 28.857 15.320 33.333 1.00 0.00 C ATOM 106 O SER A 7 29.506 15.378 34.383 1.00 0.00 O ATOM 107 CB SER A 7 30.578 14.947 31.548 1.00 0.00 C ATOM 108 OG SER A 7 30.095 13.623 31.497 1.00 0.00 O ATOM 0 H SER A 7 30.958 17.281 32.286 1.00 0.00 H new ATOM 0 HA SER A 7 28.643 15.871 31.286 1.00 0.00 H new ATOM 0 HB2 SER A 7 30.929 15.260 30.565 1.00 0.00 H new ATOM 0 HB3 SER A 7 31.428 15.014 32.227 1.00 0.00 H new ATOM 0 HG SER A 7 30.476 13.165 30.719 1.00 0.00 H new ATOM 114 N LYS A 8 27.649 14.735 33.288 1.00 0.00 N ATOM 115 CA LYS A 8 27.012 14.116 34.456 1.00 0.00 C ATOM 116 C LYS A 8 27.463 12.674 34.716 1.00 0.00 C ATOM 117 O LYS A 8 27.448 12.245 35.872 1.00 0.00 O ATOM 118 CB LYS A 8 25.485 14.267 34.351 1.00 0.00 C ATOM 119 CG LYS A 8 24.764 13.349 33.347 1.00 0.00 C ATOM 120 CD LYS A 8 23.248 13.583 33.409 1.00 0.00 C ATOM 121 CE LYS A 8 22.481 12.720 32.401 1.00 0.00 C ATOM 122 NZ LYS A 8 21.021 12.936 32.536 1.00 0.00 N ATOM 0 H LYS A 8 27.088 14.679 32.438 1.00 0.00 H new ATOM 0 HA LYS A 8 27.350 14.653 35.343 1.00 0.00 H new ATOM 0 HB2 LYS A 8 25.058 14.092 35.338 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.263 15.301 34.086 1.00 0.00 H new ATOM 0 HG2 LYS A 8 25.128 13.544 32.338 1.00 0.00 H new ATOM 0 HG3 LYS A 8 24.988 12.306 33.571 1.00 0.00 H new ATOM 0 HD2 LYS A 8 22.891 13.365 34.415 1.00 0.00 H new ATOM 0 HD3 LYS A 8 23.037 14.635 33.217 1.00 0.00 H new ATOM 0 HE2 LYS A 8 22.799 12.966 31.388 1.00 0.00 H new ATOM 0 HE3 LYS A 8 22.715 11.668 32.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.517 12.344 31.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 20.720 12.679 33.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 20.800 13.937 32.360 1.00 0.00 H new ATOM 136 N SER A 9 27.889 11.952 33.674 1.00 0.00 N ATOM 137 CA SER A 9 28.152 10.502 33.713 1.00 0.00 C ATOM 138 C SER A 9 29.453 10.035 33.037 1.00 0.00 C ATOM 139 O SER A 9 29.760 8.846 33.119 1.00 0.00 O ATOM 140 CB SER A 9 26.967 9.769 33.066 1.00 0.00 C ATOM 141 OG SER A 9 25.935 9.539 34.005 1.00 0.00 O ATOM 0 H SER A 9 28.066 12.365 32.758 1.00 0.00 H new ATOM 0 HA SER A 9 28.276 10.260 34.769 1.00 0.00 H new ATOM 0 HB2 SER A 9 26.581 10.359 32.234 1.00 0.00 H new ATOM 0 HB3 SER A 9 27.305 8.819 32.653 1.00 0.00 H new ATOM 0 HG SER A 9 25.192 9.073 33.567 1.00 0.00 H new ATOM 147 N THR A 10 30.211 10.909 32.365 1.00 0.00 N ATOM 148 CA THR A 10 31.373 10.521 31.527 1.00 0.00 C ATOM 149 C THR A 10 32.655 11.340 31.756 1.00 0.00 C ATOM 150 O THR A 10 33.663 11.086 31.092 1.00 0.00 O ATOM 151 CB THR A 10 31.024 10.519 30.026 1.00 0.00 C ATOM 152 OG1 THR A 10 30.795 11.828 29.557 1.00 0.00 O ATOM 153 CG2 THR A 10 29.783 9.689 29.692 1.00 0.00 C ATOM 0 H THR A 10 30.042 11.915 32.381 1.00 0.00 H new ATOM 0 HA THR A 10 31.598 9.508 31.860 1.00 0.00 H new ATOM 0 HB THR A 10 31.889 10.070 29.537 1.00 0.00 H new ATOM 0 HG1 THR A 10 30.577 11.800 28.602 1.00 0.00 H new ATOM 0 HG21 THR A 10 29.595 9.731 28.619 1.00 0.00 H new ATOM 0 HG22 THR A 10 29.946 8.654 29.991 1.00 0.00 H new ATOM 0 HG23 THR A 10 28.922 10.090 30.227 1.00 0.00 H new ATOM 161 N GLY A 11 32.660 12.303 32.687 1.00 0.00 N ATOM 162 CA GLY A 11 33.843 13.062 33.134 1.00 0.00 C ATOM 163 C GLY A 11 34.364 14.133 32.164 1.00 0.00 C ATOM 164 O GLY A 11 34.567 15.281 32.564 1.00 0.00 O ATOM 0 H GLY A 11 31.808 12.588 33.170 1.00 0.00 H new ATOM 0 HA2 GLY A 11 33.603 13.545 34.082 1.00 0.00 H new ATOM 0 HA3 GLY A 11 34.650 12.356 33.331 1.00 0.00 H new ATOM 168 N CYS A 12 34.565 13.779 30.896 1.00 0.00 N ATOM 169 CA CYS A 12 35.139 14.628 29.847 1.00 0.00 C ATOM 170 C CYS A 12 34.057 15.295 28.973 1.00 0.00 C ATOM 171 O CYS A 12 33.028 14.682 28.673 1.00 0.00 O ATOM 172 CB CYS A 12 36.118 13.766 29.030 1.00 0.00 C ATOM 173 SG CYS A 12 36.621 14.408 27.409 1.00 0.00 S ATOM 0 H CYS A 12 34.322 12.850 30.553 1.00 0.00 H new ATOM 0 HA CYS A 12 35.678 15.461 30.298 1.00 0.00 H new ATOM 0 HB2 CYS A 12 37.016 13.614 29.628 1.00 0.00 H new ATOM 0 HB3 CYS A 12 35.664 12.786 28.881 1.00 0.00 H new ATOM 178 N LYS A 13 34.316 16.528 28.516 1.00 0.00 N ATOM 179 CA LYS A 13 33.542 17.257 27.494 1.00 0.00 C ATOM 180 C LYS A 13 34.444 17.700 26.337 1.00 0.00 C ATOM 181 O LYS A 13 35.651 17.874 26.506 1.00 0.00 O ATOM 182 CB LYS A 13 32.817 18.463 28.121 1.00 0.00 C ATOM 183 CG LYS A 13 31.565 18.095 28.932 1.00 0.00 C ATOM 184 CD LYS A 13 30.370 17.722 28.040 1.00 0.00 C ATOM 185 CE LYS A 13 29.076 17.669 28.858 1.00 0.00 C ATOM 186 NZ LYS A 13 27.978 17.026 28.103 1.00 0.00 N ATOM 0 H LYS A 13 35.106 17.072 28.863 1.00 0.00 H new ATOM 0 HA LYS A 13 32.789 16.580 27.090 1.00 0.00 H new ATOM 0 HB2 LYS A 13 33.513 18.994 28.770 1.00 0.00 H new ATOM 0 HB3 LYS A 13 32.532 19.154 27.327 1.00 0.00 H new ATOM 0 HG2 LYS A 13 31.797 17.258 29.591 1.00 0.00 H new ATOM 0 HG3 LYS A 13 31.290 18.935 29.569 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.268 18.452 27.237 1.00 0.00 H new ATOM 0 HD3 LYS A 13 30.549 16.755 27.571 1.00 0.00 H new ATOM 0 HE2 LYS A 13 29.252 17.120 29.783 1.00 0.00 H new ATOM 0 HE3 LYS A 13 28.781 18.680 29.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 27.118 17.008 28.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.793 17.565 27.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 28.250 16.053 27.857 1.00 0.00 H new ATOM 200 N TYR A 14 33.847 17.905 25.165 1.00 0.00 N ATOM 201 CA TYR A 14 34.559 18.199 23.918 1.00 0.00 C ATOM 202 C TYR A 14 34.320 19.638 23.432 1.00 0.00 C ATOM 203 O TYR A 14 33.428 20.343 23.913 1.00 0.00 O ATOM 204 CB TYR A 14 34.162 17.163 22.850 1.00 0.00 C ATOM 205 CG TYR A 14 34.481 15.706 23.167 1.00 0.00 C ATOM 206 CD1 TYR A 14 35.793 15.314 23.514 1.00 0.00 C ATOM 207 CD2 TYR A 14 33.474 14.725 23.057 1.00 0.00 C ATOM 208 CE1 TYR A 14 36.093 13.955 23.740 1.00 0.00 C ATOM 209 CE2 TYR A 14 33.773 13.366 23.274 1.00 0.00 C ATOM 210 CZ TYR A 14 35.087 12.974 23.613 1.00 0.00 C ATOM 211 OH TYR A 14 35.382 11.655 23.795 1.00 0.00 O ATOM 0 H TYR A 14 32.834 17.871 25.051 1.00 0.00 H new ATOM 0 HA TYR A 14 35.630 18.124 24.107 1.00 0.00 H new ATOM 0 HB2 TYR A 14 33.090 17.247 22.674 1.00 0.00 H new ATOM 0 HB3 TYR A 14 34.660 17.426 21.917 1.00 0.00 H new ATOM 0 HD1 TYR A 14 36.570 16.059 23.607 1.00 0.00 H new ATOM 0 HD2 TYR A 14 32.466 15.018 22.804 1.00 0.00 H new ATOM 0 HE1 TYR A 14 37.097 13.664 24.011 1.00 0.00 H new ATOM 0 HE2 TYR A 14 32.996 12.622 23.181 1.00 0.00 H new ATOM 0 HH TYR A 14 34.571 11.118 23.671 1.00 0.00 H new ATOM 221 N GLU A 15 35.111 20.068 22.448 1.00 0.00 N ATOM 222 CA GLU A 15 34.973 21.357 21.761 1.00 0.00 C ATOM 223 C GLU A 15 33.569 21.572 21.154 1.00 0.00 C ATOM 224 O GLU A 15 32.881 20.621 20.756 1.00 0.00 O ATOM 225 CB GLU A 15 36.098 21.515 20.717 1.00 0.00 C ATOM 226 CG GLU A 15 35.943 20.600 19.492 1.00 0.00 C ATOM 227 CD GLU A 15 37.202 20.587 18.621 1.00 0.00 C ATOM 228 OE1 GLU A 15 37.427 21.551 17.847 1.00 0.00 O ATOM 229 OE2 GLU A 15 37.987 19.609 18.694 1.00 0.00 O ATOM 0 H GLU A 15 35.890 19.513 22.095 1.00 0.00 H new ATOM 0 HA GLU A 15 35.079 22.146 22.506 1.00 0.00 H new ATOM 0 HB2 GLU A 15 36.127 22.552 20.382 1.00 0.00 H new ATOM 0 HB3 GLU A 15 37.056 21.307 21.195 1.00 0.00 H new ATOM 0 HG2 GLU A 15 35.721 19.586 19.823 1.00 0.00 H new ATOM 0 HG3 GLU A 15 35.094 20.933 18.896 1.00 0.00 H new ATOM 236 N CYS A 16 33.139 22.832 21.070 1.00 0.00 N ATOM 237 CA CYS A 16 31.801 23.224 20.613 1.00 0.00 C ATOM 238 C CYS A 16 31.623 23.079 19.088 1.00 0.00 C ATOM 239 O CYS A 16 32.561 22.701 18.375 1.00 0.00 O ATOM 240 CB CYS A 16 31.518 24.643 21.120 1.00 0.00 C ATOM 241 SG CYS A 16 32.397 25.979 20.269 1.00 0.00 S ATOM 0 H CYS A 16 33.724 23.628 21.323 1.00 0.00 H new ATOM 0 HA CYS A 16 31.061 22.542 21.032 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.447 24.830 21.039 1.00 0.00 H new ATOM 0 HB3 CYS A 16 31.770 24.686 22.180 1.00 0.00 H new ATOM 246 N LEU A 17 30.423 23.351 18.566 1.00 0.00 N ATOM 247 CA LEU A 17 30.130 23.201 17.135 1.00 0.00 C ATOM 248 C LEU A 17 30.253 24.526 16.366 1.00 0.00 C ATOM 249 O LEU A 17 30.802 24.536 15.264 1.00 0.00 O ATOM 250 CB LEU A 17 28.742 22.554 16.980 1.00 0.00 C ATOM 251 CG LEU A 17 28.407 22.125 15.540 1.00 0.00 C ATOM 252 CD1 LEU A 17 29.312 20.996 15.039 1.00 0.00 C ATOM 253 CD2 LEU A 17 26.964 21.636 15.480 1.00 0.00 C ATOM 0 H LEU A 17 29.631 23.679 19.119 1.00 0.00 H new ATOM 0 HA LEU A 17 30.878 22.547 16.686 1.00 0.00 H new ATOM 0 HB2 LEU A 17 28.685 21.681 17.630 1.00 0.00 H new ATOM 0 HB3 LEU A 17 27.984 23.258 17.324 1.00 0.00 H new ATOM 0 HG LEU A 17 28.561 22.997 14.904 1.00 0.00 H new ATOM 0 HD11 LEU A 17 29.033 20.732 14.019 1.00 0.00 H new ATOM 0 HD12 LEU A 17 30.350 21.327 15.057 1.00 0.00 H new ATOM 0 HD13 LEU A 17 29.197 20.125 15.684 1.00 0.00 H new ATOM 0 HD21 LEU A 17 26.725 21.332 14.461 1.00 0.00 H new ATOM 0 HD22 LEU A 17 26.840 20.786 16.151 1.00 0.00 H new ATOM 0 HD23 LEU A 17 26.294 22.440 15.785 1.00 0.00 H new ATOM 265 N LYS A 18 29.754 25.627 16.942 1.00 0.00 N ATOM 266 CA LYS A 18 29.645 26.962 16.326 1.00 0.00 C ATOM 267 C LYS A 18 29.843 28.098 17.339 1.00 0.00 C ATOM 268 O LYS A 18 29.519 27.943 18.518 1.00 0.00 O ATOM 269 CB LYS A 18 28.248 27.144 15.694 1.00 0.00 C ATOM 270 CG LYS A 18 27.821 26.051 14.702 1.00 0.00 C ATOM 271 CD LYS A 18 26.487 26.422 14.043 1.00 0.00 C ATOM 272 CE LYS A 18 26.000 25.297 13.127 1.00 0.00 C ATOM 273 NZ LYS A 18 24.797 25.730 12.389 1.00 0.00 N ATOM 0 H LYS A 18 29.397 25.614 17.897 1.00 0.00 H new ATOM 0 HA LYS A 18 30.433 27.015 15.575 1.00 0.00 H new ATOM 0 HB2 LYS A 18 27.510 27.191 16.495 1.00 0.00 H new ATOM 0 HB3 LYS A 18 28.224 28.105 15.181 1.00 0.00 H new ATOM 0 HG2 LYS A 18 28.588 25.923 13.939 1.00 0.00 H new ATOM 0 HG3 LYS A 18 27.725 25.097 15.220 1.00 0.00 H new ATOM 0 HD2 LYS A 18 25.740 26.620 14.811 1.00 0.00 H new ATOM 0 HD3 LYS A 18 26.604 27.340 13.468 1.00 0.00 H new ATOM 0 HE2 LYS A 18 26.787 25.022 12.425 1.00 0.00 H new ATOM 0 HE3 LYS A 18 25.774 24.409 13.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 24.474 24.960 11.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 24.044 25.971 13.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 25.025 26.565 11.813 1.00 0.00 H new ATOM 287 N LEU A 19 30.245 29.265 16.831 1.00 0.00 N ATOM 288 CA LEU A 19 30.053 30.594 17.428 1.00 0.00 C ATOM 289 C LEU A 19 29.111 31.434 16.544 1.00 0.00 C ATOM 290 O LEU A 19 29.102 31.282 15.319 1.00 0.00 O ATOM 291 CB LEU A 19 31.417 31.290 17.598 1.00 0.00 C ATOM 292 CG LEU A 19 32.231 30.773 18.798 1.00 0.00 C ATOM 293 CD1 LEU A 19 33.693 31.189 18.652 1.00 0.00 C ATOM 294 CD2 LEU A 19 31.712 31.362 20.111 1.00 0.00 C ATOM 0 H LEU A 19 30.742 29.314 15.941 1.00 0.00 H new ATOM 0 HA LEU A 19 29.595 30.489 18.412 1.00 0.00 H new ATOM 0 HB2 LEU A 19 32.001 31.152 16.688 1.00 0.00 H new ATOM 0 HB3 LEU A 19 31.256 32.362 17.714 1.00 0.00 H new ATOM 0 HG LEU A 19 32.133 29.688 18.816 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.263 30.820 19.505 1.00 0.00 H new ATOM 0 HD12 LEU A 19 34.101 30.768 17.733 1.00 0.00 H new ATOM 0 HD13 LEU A 19 33.760 32.276 18.614 1.00 0.00 H new ATOM 0 HD21 LEU A 19 32.306 30.979 20.941 1.00 0.00 H new ATOM 0 HD22 LEU A 19 31.791 32.449 20.079 1.00 0.00 H new ATOM 0 HD23 LEU A 19 30.669 31.078 20.250 1.00 0.00 H new ATOM 306 N GLY A 20 28.321 32.318 17.156 1.00 0.00 N ATOM 307 CA GLY A 20 27.261 33.111 16.508 1.00 0.00 C ATOM 308 C GLY A 20 25.868 32.465 16.576 1.00 0.00 C ATOM 309 O GLY A 20 24.860 33.158 16.740 1.00 0.00 O ATOM 0 H GLY A 20 28.401 32.513 18.154 1.00 0.00 H new ATOM 0 HA2 GLY A 20 27.218 34.094 16.978 1.00 0.00 H new ATOM 0 HA3 GLY A 20 27.527 33.269 15.463 1.00 0.00 H new ATOM 313 N ASP A 21 25.804 31.132 16.563 1.00 0.00 N ATOM 314 CA ASP A 21 24.642 30.360 17.013 1.00 0.00 C ATOM 315 C ASP A 21 24.969 29.585 18.296 1.00 0.00 C ATOM 316 O ASP A 21 26.090 29.098 18.473 1.00 0.00 O ATOM 317 CB ASP A 21 24.133 29.426 15.909 1.00 0.00 C ATOM 318 CG ASP A 21 22.836 28.735 16.334 1.00 0.00 C ATOM 319 OD1 ASP A 21 21.948 29.419 16.892 1.00 0.00 O ATOM 320 OD2 ASP A 21 22.688 27.510 16.133 1.00 0.00 O ATOM 0 H ASP A 21 26.572 30.547 16.233 1.00 0.00 H new ATOM 0 HA ASP A 21 23.839 31.061 17.241 1.00 0.00 H new ATOM 0 HB2 ASP A 21 23.964 29.995 14.995 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.892 28.677 15.682 1.00 0.00 H new ATOM 325 N ASN A 22 23.984 29.450 19.182 1.00 0.00 N ATOM 326 CA ASN A 22 24.143 28.926 20.543 1.00 0.00 C ATOM 327 C ASN A 22 23.468 27.578 20.823 1.00 0.00 C ATOM 328 O ASN A 22 23.613 27.009 21.906 1.00 0.00 O ATOM 329 CB ASN A 22 23.657 30.010 21.523 1.00 0.00 C ATOM 330 CG ASN A 22 22.165 30.320 21.426 1.00 0.00 C ATOM 331 OD1 ASN A 22 21.432 29.763 20.620 1.00 0.00 O ATOM 332 ND2 ASN A 22 21.656 31.215 22.235 1.00 0.00 N ATOM 0 H ASN A 22 23.021 29.710 18.968 1.00 0.00 H new ATOM 0 HA ASN A 22 25.202 28.703 20.676 1.00 0.00 H new ATOM 0 HB2 ASN A 22 23.885 29.692 22.540 1.00 0.00 H new ATOM 0 HB3 ASN A 22 24.219 30.926 21.342 1.00 0.00 H new ATOM 0 HD21 ASN A 22 20.662 31.439 22.188 1.00 0.00 H new ATOM 0 HD22 ASN A 22 22.254 31.688 22.913 1.00 0.00 H new ATOM 339 N ASP A 23 22.719 27.081 19.851 1.00 0.00 N ATOM 340 CA ASP A 23 21.663 26.085 20.071 1.00 0.00 C ATOM 341 C ASP A 23 22.210 24.720 20.516 1.00 0.00 C ATOM 342 O ASP A 23 21.634 24.085 21.400 1.00 0.00 O ATOM 343 CB ASP A 23 20.815 25.966 18.803 1.00 0.00 C ATOM 344 CG ASP A 23 19.520 25.208 19.078 1.00 0.00 C ATOM 345 OD1 ASP A 23 18.574 25.806 19.642 1.00 0.00 O ATOM 346 OD2 ASP A 23 19.429 24.017 18.698 1.00 0.00 O ATOM 0 H ASP A 23 22.822 27.356 18.874 1.00 0.00 H new ATOM 0 HA ASP A 23 21.039 26.430 20.896 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.584 26.961 18.422 1.00 0.00 H new ATOM 0 HB3 ASP A 23 21.384 25.452 18.028 1.00 0.00 H new ATOM 351 N TYR A 24 23.360 24.318 19.967 1.00 0.00 N ATOM 352 CA TYR A 24 24.106 23.098 20.308 1.00 0.00 C ATOM 353 C TYR A 24 24.587 23.044 21.775 1.00 0.00 C ATOM 354 O TYR A 24 24.818 21.960 22.318 1.00 0.00 O ATOM 355 CB TYR A 24 25.280 23.008 19.323 1.00 0.00 C ATOM 356 CG TYR A 24 26.106 21.746 19.415 1.00 0.00 C ATOM 357 CD1 TYR A 24 25.712 20.594 18.710 1.00 0.00 C ATOM 358 CD2 TYR A 24 27.283 21.734 20.186 1.00 0.00 C ATOM 359 CE1 TYR A 24 26.490 19.424 18.782 1.00 0.00 C ATOM 360 CE2 TYR A 24 28.064 20.567 20.259 1.00 0.00 C ATOM 361 CZ TYR A 24 27.665 19.406 19.560 1.00 0.00 C ATOM 362 OH TYR A 24 28.414 18.272 19.623 1.00 0.00 O ATOM 0 H TYR A 24 23.821 24.860 19.236 1.00 0.00 H new ATOM 0 HA TYR A 24 23.442 22.238 20.219 1.00 0.00 H new ATOM 0 HB2 TYR A 24 24.889 23.093 18.309 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.935 23.864 19.485 1.00 0.00 H new ATOM 0 HD1 TYR A 24 24.812 20.608 18.113 1.00 0.00 H new ATOM 0 HD2 TYR A 24 27.587 22.621 20.722 1.00 0.00 H new ATOM 0 HE1 TYR A 24 26.187 18.540 18.241 1.00 0.00 H new ATOM 0 HE2 TYR A 24 28.968 20.558 20.849 1.00 0.00 H new ATOM 0 HH TYR A 24 29.191 18.425 20.200 1.00 0.00 H new ATOM 372 N CYS A 25 24.694 24.203 22.434 1.00 0.00 N ATOM 373 CA CYS A 25 25.002 24.320 23.860 1.00 0.00 C ATOM 374 C CYS A 25 23.733 24.580 24.692 1.00 0.00 C ATOM 375 O CYS A 25 23.475 23.887 25.678 1.00 0.00 O ATOM 376 CB CYS A 25 26.041 25.435 24.048 1.00 0.00 C ATOM 377 SG CYS A 25 27.573 25.258 23.087 1.00 0.00 S ATOM 0 H CYS A 25 24.565 25.106 21.978 1.00 0.00 H new ATOM 0 HA CYS A 25 25.416 23.378 24.220 1.00 0.00 H new ATOM 0 HB2 CYS A 25 25.577 26.386 23.785 1.00 0.00 H new ATOM 0 HB3 CYS A 25 26.302 25.489 25.105 1.00 0.00 H new ATOM 382 N LEU A 26 22.907 25.543 24.267 1.00 0.00 N ATOM 383 CA LEU A 26 21.693 25.995 24.957 1.00 0.00 C ATOM 384 C LEU A 26 20.716 24.849 25.258 1.00 0.00 C ATOM 385 O LEU A 26 20.209 24.753 26.381 1.00 0.00 O ATOM 386 CB LEU A 26 21.032 27.061 24.063 1.00 0.00 C ATOM 387 CG LEU A 26 19.718 27.645 24.611 1.00 0.00 C ATOM 388 CD1 LEU A 26 19.944 28.429 25.903 1.00 0.00 C ATOM 389 CD2 LEU A 26 19.132 28.595 23.575 1.00 0.00 C ATOM 0 H LEU A 26 23.073 26.049 23.397 1.00 0.00 H new ATOM 0 HA LEU A 26 21.964 26.407 25.929 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.739 27.876 23.912 1.00 0.00 H new ATOM 0 HB3 LEU A 26 20.837 26.623 23.084 1.00 0.00 H new ATOM 0 HG LEU A 26 19.042 26.816 24.820 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.993 28.826 26.259 1.00 0.00 H new ATOM 0 HD12 LEU A 26 20.368 27.769 26.660 1.00 0.00 H new ATOM 0 HD13 LEU A 26 20.632 29.252 25.713 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.200 29.015 23.953 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.840 29.400 23.378 1.00 0.00 H new ATOM 0 HD23 LEU A 26 18.936 28.050 22.651 1.00 0.00 H new ATOM 401 N ARG A 27 20.504 23.951 24.284 1.00 0.00 N ATOM 402 CA ARG A 27 19.593 22.800 24.408 1.00 0.00 C ATOM 403 C ARG A 27 19.960 21.850 25.554 1.00 0.00 C ATOM 404 O ARG A 27 19.075 21.207 26.116 1.00 0.00 O ATOM 405 CB ARG A 27 19.516 22.064 23.055 1.00 0.00 C ATOM 406 CG ARG A 27 20.777 21.239 22.727 1.00 0.00 C ATOM 407 CD ARG A 27 20.679 20.476 21.406 1.00 0.00 C ATOM 408 NE ARG A 27 20.683 21.360 20.226 1.00 0.00 N ATOM 409 CZ ARG A 27 21.303 21.144 19.081 1.00 0.00 C ATOM 410 NH1 ARG A 27 22.091 20.134 18.865 1.00 0.00 N ATOM 411 NH2 ARG A 27 21.171 21.965 18.091 1.00 0.00 N ATOM 0 H ARG A 27 20.966 24.003 23.376 1.00 0.00 H new ATOM 0 HA ARG A 27 18.607 23.185 24.669 1.00 0.00 H new ATOM 0 HB2 ARG A 27 18.650 21.402 23.060 1.00 0.00 H new ATOM 0 HB3 ARG A 27 19.354 22.795 22.262 1.00 0.00 H new ATOM 0 HG2 ARG A 27 21.638 21.906 22.689 1.00 0.00 H new ATOM 0 HG3 ARG A 27 20.958 20.530 23.535 1.00 0.00 H new ATOM 0 HD2 ARG A 27 21.514 19.779 21.333 1.00 0.00 H new ATOM 0 HD3 ARG A 27 19.766 19.881 21.404 1.00 0.00 H new ATOM 0 HE ARG A 27 20.152 22.228 20.302 1.00 0.00 H new ATOM 0 HH11 ARG A 27 22.260 19.452 19.604 1.00 0.00 H new ATOM 0 HH12 ARG A 27 22.541 20.023 17.956 1.00 0.00 H new ATOM 0 HH21 ARG A 27 20.582 22.792 18.189 1.00 0.00 H new ATOM 0 HH22 ARG A 27 21.656 21.786 17.212 1.00 0.00 H new ATOM 425 N GLU A 28 21.247 21.793 25.911 1.00 0.00 N ATOM 426 CA GLU A 28 21.785 20.976 27.002 1.00 0.00 C ATOM 427 C GLU A 28 21.954 21.765 28.310 1.00 0.00 C ATOM 428 O GLU A 28 21.818 21.176 29.384 1.00 0.00 O ATOM 429 CB GLU A 28 23.122 20.341 26.590 1.00 0.00 C ATOM 430 CG GLU A 28 22.986 19.334 25.437 1.00 0.00 C ATOM 431 CD GLU A 28 24.089 18.273 25.496 1.00 0.00 C ATOM 432 OE1 GLU A 28 24.052 17.450 26.445 1.00 0.00 O ATOM 433 OE2 GLU A 28 25.000 18.260 24.630 1.00 0.00 O ATOM 0 H GLU A 28 21.967 22.333 25.431 1.00 0.00 H new ATOM 0 HA GLU A 28 21.053 20.191 27.195 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.815 21.129 26.295 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.559 19.838 27.453 1.00 0.00 H new ATOM 0 HG2 GLU A 28 22.010 18.851 25.486 1.00 0.00 H new ATOM 0 HG3 GLU A 28 23.034 19.860 24.484 1.00 0.00 H new ATOM 440 N CYS A 29 22.181 23.085 28.247 1.00 0.00 N ATOM 441 CA CYS A 29 22.213 23.960 29.424 1.00 0.00 C ATOM 442 C CYS A 29 20.882 23.927 30.190 1.00 0.00 C ATOM 443 O CYS A 29 20.878 23.700 31.401 1.00 0.00 O ATOM 444 CB CYS A 29 22.559 25.397 29.005 1.00 0.00 C ATOM 445 SG CYS A 29 24.274 25.653 28.481 1.00 0.00 S ATOM 0 H CYS A 29 22.349 23.578 27.370 1.00 0.00 H new ATOM 0 HA CYS A 29 22.987 23.590 30.097 1.00 0.00 H new ATOM 0 HB2 CYS A 29 21.899 25.690 28.189 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.348 26.064 29.841 1.00 0.00 H new ATOM 450 N LYS A 30 19.739 24.037 29.498 1.00 0.00 N ATOM 451 CA LYS A 30 18.418 23.968 30.156 1.00 0.00 C ATOM 452 C LYS A 30 18.103 22.588 30.747 1.00 0.00 C ATOM 453 O LYS A 30 17.379 22.508 31.734 1.00 0.00 O ATOM 454 CB LYS A 30 17.310 24.444 29.207 1.00 0.00 C ATOM 455 CG LYS A 30 17.502 25.912 28.795 1.00 0.00 C ATOM 456 CD LYS A 30 16.275 26.412 28.031 1.00 0.00 C ATOM 457 CE LYS A 30 16.553 27.775 27.405 1.00 0.00 C ATOM 458 NZ LYS A 30 15.354 28.297 26.717 1.00 0.00 N ATOM 0 H LYS A 30 19.698 24.173 28.488 1.00 0.00 H new ATOM 0 HA LYS A 30 18.460 24.648 31.007 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.299 23.815 28.317 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.341 24.327 29.692 1.00 0.00 H new ATOM 0 HG2 LYS A 30 17.664 26.527 29.680 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.391 26.009 28.172 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.007 25.696 27.254 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.423 26.483 28.707 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.867 28.477 28.178 1.00 0.00 H new ATOM 0 HE3 LYS A 30 17.376 27.692 26.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.570 29.225 26.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.070 27.637 25.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.577 28.397 27.401 1.00 0.00 H new ATOM 472 N GLN A 31 18.714 21.519 30.222 1.00 0.00 N ATOM 473 CA GLN A 31 18.663 20.166 30.803 1.00 0.00 C ATOM 474 C GLN A 31 19.557 20.013 32.057 1.00 0.00 C ATOM 475 O GLN A 31 19.388 19.051 32.804 1.00 0.00 O ATOM 476 CB GLN A 31 19.033 19.124 29.725 1.00 0.00 C ATOM 477 CG GLN A 31 17.991 19.017 28.593 1.00 0.00 C ATOM 478 CD GLN A 31 18.417 18.086 27.452 1.00 0.00 C ATOM 479 OE1 GLN A 31 19.580 17.999 27.063 1.00 0.00 O ATOM 480 NE2 GLN A 31 17.497 17.368 26.848 1.00 0.00 N ATOM 0 H GLN A 31 19.268 21.568 29.367 1.00 0.00 H new ATOM 0 HA GLN A 31 17.641 19.992 31.141 1.00 0.00 H new ATOM 0 HB2 GLN A 31 20.000 19.385 29.295 1.00 0.00 H new ATOM 0 HB3 GLN A 31 19.147 18.148 30.197 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.049 18.660 29.010 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.803 20.012 28.188 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.525 17.423 27.153 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.755 16.755 26.074 1.00 0.00 H new ATOM 489 N GLN A 32 20.480 20.952 32.316 1.00 0.00 N ATOM 490 CA GLN A 32 21.440 20.914 33.432 1.00 0.00 C ATOM 491 C GLN A 32 21.160 21.956 34.536 1.00 0.00 C ATOM 492 O GLN A 32 21.430 21.678 35.706 1.00 0.00 O ATOM 493 CB GLN A 32 22.857 21.045 32.841 1.00 0.00 C ATOM 494 CG GLN A 32 23.974 20.771 33.860 1.00 0.00 C ATOM 495 CD GLN A 32 25.317 20.520 33.176 1.00 0.00 C ATOM 496 OE1 GLN A 32 26.163 21.394 33.014 1.00 0.00 O ATOM 497 NE2 GLN A 32 25.542 19.305 32.735 1.00 0.00 N ATOM 0 H GLN A 32 20.583 21.785 31.737 1.00 0.00 H new ATOM 0 HA GLN A 32 21.335 19.960 33.949 1.00 0.00 H new ATOM 0 HB2 GLN A 32 22.959 20.352 32.006 1.00 0.00 H new ATOM 0 HB3 GLN A 32 22.982 22.050 32.438 1.00 0.00 H new ATOM 0 HG2 GLN A 32 24.064 21.620 34.537 1.00 0.00 H new ATOM 0 HG3 GLN A 32 23.708 19.906 34.467 1.00 0.00 H new ATOM 0 HE21 GLN A 32 24.841 18.576 32.868 1.00 0.00 H new ATOM 0 HE22 GLN A 32 26.418 19.089 32.259 1.00 0.00 H new ATOM 506 N TYR A 33 20.577 23.117 34.207 1.00 0.00 N ATOM 507 CA TYR A 33 20.308 24.220 35.156 1.00 0.00 C ATOM 508 C TYR A 33 18.842 24.706 35.168 1.00 0.00 C ATOM 509 O TYR A 33 18.468 25.550 35.989 1.00 0.00 O ATOM 510 CB TYR A 33 21.277 25.381 34.870 1.00 0.00 C ATOM 511 CG TYR A 33 22.742 24.979 34.842 1.00 0.00 C ATOM 512 CD1 TYR A 33 23.495 24.920 36.033 1.00 0.00 C ATOM 513 CD2 TYR A 33 23.343 24.637 33.615 1.00 0.00 C ATOM 514 CE1 TYR A 33 24.831 24.470 36.003 1.00 0.00 C ATOM 515 CE2 TYR A 33 24.663 24.157 33.587 1.00 0.00 C ATOM 516 CZ TYR A 33 25.401 24.054 34.781 1.00 0.00 C ATOM 517 OH TYR A 33 26.629 23.478 34.752 1.00 0.00 O ATOM 0 H TYR A 33 20.271 23.325 33.257 1.00 0.00 H new ATOM 0 HA TYR A 33 20.476 23.824 36.158 1.00 0.00 H new ATOM 0 HB2 TYR A 33 21.017 25.829 33.911 1.00 0.00 H new ATOM 0 HB3 TYR A 33 21.138 26.151 35.629 1.00 0.00 H new ATOM 0 HD1 TYR A 33 23.048 25.220 36.969 1.00 0.00 H new ATOM 0 HD2 TYR A 33 22.788 24.744 32.694 1.00 0.00 H new ATOM 0 HE1 TYR A 33 25.415 24.444 36.911 1.00 0.00 H new ATOM 0 HE2 TYR A 33 25.112 23.867 32.649 1.00 0.00 H new ATOM 0 HH TYR A 33 26.611 22.700 34.157 1.00 0.00 H new ATOM 527 N GLY A 34 17.986 24.161 34.299 1.00 0.00 N ATOM 528 CA GLY A 34 16.564 24.506 34.199 1.00 0.00 C ATOM 529 C GLY A 34 16.241 25.659 33.239 1.00 0.00 C ATOM 530 O GLY A 34 17.124 26.319 32.682 1.00 0.00 O ATOM 0 H GLY A 34 18.270 23.448 33.627 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.013 23.622 33.879 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.198 24.767 35.192 1.00 0.00 H new ATOM 534 N LYS A 35 14.938 25.872 33.026 1.00 0.00 N ATOM 535 CA LYS A 35 14.354 26.723 31.972 1.00 0.00 C ATOM 536 C LYS A 35 14.685 28.223 32.018 1.00 0.00 C ATOM 537 O LYS A 35 14.512 28.880 30.995 1.00 0.00 O ATOM 538 CB LYS A 35 12.836 26.469 31.921 1.00 0.00 C ATOM 539 CG LYS A 35 12.060 27.002 33.143 1.00 0.00 C ATOM 540 CD LYS A 35 10.679 26.334 33.223 1.00 0.00 C ATOM 541 CE LYS A 35 9.777 26.928 34.313 1.00 0.00 C ATOM 542 NZ LYS A 35 9.247 28.258 33.935 1.00 0.00 N ATOM 0 H LYS A 35 14.224 25.437 33.610 1.00 0.00 H new ATOM 0 HA LYS A 35 14.842 26.418 31.046 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.433 26.931 31.020 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.662 25.396 31.835 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.622 26.803 34.056 1.00 0.00 H new ATOM 0 HG3 LYS A 35 11.946 28.083 33.068 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.181 26.429 32.258 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.809 25.268 33.411 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.946 26.249 34.505 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.340 27.014 35.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.643 28.621 34.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.038 28.915 33.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.687 28.173 33.063 1.00 0.00 H new ATOM 556 N SER A 36 15.184 28.772 33.131 1.00 0.00 N ATOM 557 CA SER A 36 15.638 30.176 33.195 1.00 0.00 C ATOM 558 C SER A 36 17.070 30.403 32.691 1.00 0.00 C ATOM 559 O SER A 36 17.454 31.548 32.423 1.00 0.00 O ATOM 560 CB SER A 36 15.445 30.771 34.596 1.00 0.00 C ATOM 561 OG SER A 36 16.261 30.171 35.585 1.00 0.00 O ATOM 0 H SER A 36 15.286 28.264 34.010 1.00 0.00 H new ATOM 0 HA SER A 36 14.994 30.711 32.497 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.658 31.839 34.560 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.400 30.664 34.886 1.00 0.00 H new ATOM 0 HG SER A 36 16.091 30.596 36.451 1.00 0.00 H new ATOM 567 N SER A 37 17.857 29.335 32.526 1.00 0.00 N ATOM 568 CA SER A 37 19.252 29.401 32.065 1.00 0.00 C ATOM 569 C SER A 37 19.390 29.643 30.553 1.00 0.00 C ATOM 570 O SER A 37 18.459 29.417 29.770 1.00 0.00 O ATOM 571 CB SER A 37 20.033 28.154 32.500 1.00 0.00 C ATOM 572 OG SER A 37 19.582 26.984 31.839 1.00 0.00 O ATOM 0 H SER A 37 17.540 28.384 32.711 1.00 0.00 H new ATOM 0 HA SER A 37 19.689 30.275 32.548 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.093 28.301 32.293 1.00 0.00 H new ATOM 0 HB3 SER A 37 19.933 28.022 33.577 1.00 0.00 H new ATOM 0 HG SER A 37 18.720 26.708 32.214 1.00 0.00 H new ATOM 578 N GLY A 38 20.564 30.129 30.152 1.00 0.00 N ATOM 579 CA GLY A 38 20.987 30.326 28.764 1.00 0.00 C ATOM 580 C GLY A 38 22.308 29.609 28.459 1.00 0.00 C ATOM 581 O GLY A 38 22.819 28.852 29.288 1.00 0.00 O ATOM 0 H GLY A 38 21.283 30.410 30.819 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.211 29.958 28.093 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.099 31.392 28.567 1.00 0.00 H new ATOM 585 N GLY A 39 22.893 29.852 27.285 1.00 0.00 N ATOM 586 CA GLY A 39 24.212 29.319 26.928 1.00 0.00 C ATOM 587 C GLY A 39 24.746 29.764 25.566 1.00 0.00 C ATOM 588 O GLY A 39 24.029 30.392 24.786 1.00 0.00 O ATOM 0 H GLY A 39 22.468 30.423 26.555 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.926 29.616 27.696 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.163 28.230 26.943 1.00 0.00 H new ATOM 592 N TYR A 40 26.021 29.459 25.307 1.00 0.00 N ATOM 593 CA TYR A 40 26.767 29.687 24.054 1.00 0.00 C ATOM 594 C TYR A 40 28.119 28.935 24.078 1.00 0.00 C ATOM 595 O TYR A 40 28.383 28.188 25.023 1.00 0.00 O ATOM 596 CB TYR A 40 26.957 31.198 23.796 1.00 0.00 C ATOM 597 CG TYR A 40 28.011 31.977 24.570 1.00 0.00 C ATOM 598 CD1 TYR A 40 28.240 31.773 25.948 1.00 0.00 C ATOM 599 CD2 TYR A 40 28.716 32.992 23.895 1.00 0.00 C ATOM 600 CE1 TYR A 40 29.171 32.578 26.636 1.00 0.00 C ATOM 601 CE2 TYR A 40 29.645 33.793 24.580 1.00 0.00 C ATOM 602 CZ TYR A 40 29.879 33.587 25.952 1.00 0.00 C ATOM 603 OH TYR A 40 30.758 34.386 26.612 1.00 0.00 O ATOM 0 H TYR A 40 26.606 29.014 26.015 1.00 0.00 H new ATOM 0 HA TYR A 40 26.183 29.286 23.226 1.00 0.00 H new ATOM 0 HB2 TYR A 40 27.178 31.320 22.736 1.00 0.00 H new ATOM 0 HB3 TYR A 40 25.997 31.681 23.980 1.00 0.00 H new ATOM 0 HD1 TYR A 40 27.702 31.000 26.476 1.00 0.00 H new ATOM 0 HD2 TYR A 40 28.541 33.156 22.842 1.00 0.00 H new ATOM 0 HE1 TYR A 40 29.342 32.421 27.691 1.00 0.00 H new ATOM 0 HE2 TYR A 40 30.181 34.568 24.052 1.00 0.00 H new ATOM 0 HH TYR A 40 31.155 35.024 25.983 1.00 0.00 H new ATOM 613 N CYS A 41 28.981 29.107 23.071 1.00 0.00 N ATOM 614 CA CYS A 41 30.367 28.622 23.117 1.00 0.00 C ATOM 615 C CYS A 41 31.345 29.652 23.728 1.00 0.00 C ATOM 616 O CYS A 41 31.309 30.846 23.415 1.00 0.00 O ATOM 617 CB CYS A 41 30.794 28.123 21.732 1.00 0.00 C ATOM 618 SG CYS A 41 32.469 27.430 21.692 1.00 0.00 S ATOM 0 H CYS A 41 28.740 29.585 22.203 1.00 0.00 H new ATOM 0 HA CYS A 41 30.408 27.773 23.800 1.00 0.00 H new ATOM 0 HB2 CYS A 41 30.088 27.364 21.395 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.735 28.949 21.024 1.00 0.00 H new ATOM 623 N TYR A 42 32.252 29.178 24.589 1.00 0.00 N ATOM 624 CA TYR A 42 33.261 29.980 25.289 1.00 0.00 C ATOM 625 C TYR A 42 34.601 29.233 25.385 1.00 0.00 C ATOM 626 O TYR A 42 34.631 28.019 25.607 1.00 0.00 O ATOM 627 CB TYR A 42 32.735 30.337 26.685 1.00 0.00 C ATOM 628 CG TYR A 42 33.709 31.111 27.551 1.00 0.00 C ATOM 629 CD1 TYR A 42 34.610 30.417 28.382 1.00 0.00 C ATOM 630 CD2 TYR A 42 33.716 32.519 27.531 1.00 0.00 C ATOM 631 CE1 TYR A 42 35.498 31.124 29.210 1.00 0.00 C ATOM 632 CE2 TYR A 42 34.599 33.231 28.365 1.00 0.00 C ATOM 633 CZ TYR A 42 35.485 32.531 29.213 1.00 0.00 C ATOM 634 OH TYR A 42 36.319 33.203 30.046 1.00 0.00 O ATOM 0 H TYR A 42 32.305 28.187 24.826 1.00 0.00 H new ATOM 0 HA TYR A 42 33.443 30.894 24.723 1.00 0.00 H new ATOM 0 HB2 TYR A 42 31.823 30.923 26.575 1.00 0.00 H new ATOM 0 HB3 TYR A 42 32.463 29.417 27.202 1.00 0.00 H new ATOM 0 HD1 TYR A 42 34.618 29.337 28.383 1.00 0.00 H new ATOM 0 HD2 TYR A 42 33.044 33.053 26.876 1.00 0.00 H new ATOM 0 HE1 TYR A 42 36.190 30.588 29.843 1.00 0.00 H new ATOM 0 HE2 TYR A 42 34.599 34.311 28.356 1.00 0.00 H new ATOM 0 HH TYR A 42 36.191 34.168 29.929 1.00 0.00 H new ATOM 644 N ALA A 43 35.707 29.972 25.240 1.00 0.00 N ATOM 645 CA ALA A 43 37.094 29.496 25.128 1.00 0.00 C ATOM 646 C ALA A 43 37.326 28.548 23.935 1.00 0.00 C ATOM 647 O ALA A 43 38.017 28.922 22.985 1.00 0.00 O ATOM 648 CB ALA A 43 37.582 28.937 26.472 1.00 0.00 C ATOM 0 H ALA A 43 35.655 30.990 25.194 1.00 0.00 H new ATOM 0 HA ALA A 43 37.718 30.358 24.894 1.00 0.00 H new ATOM 0 HB1 ALA A 43 38.610 28.590 26.370 1.00 0.00 H new ATOM 0 HB2 ALA A 43 37.537 29.720 27.229 1.00 0.00 H new ATOM 0 HB3 ALA A 43 36.946 28.104 26.772 1.00 0.00 H new ATOM 654 N PHE A 44 36.709 27.364 23.962 1.00 0.00 N ATOM 655 CA PHE A 44 36.617 26.400 22.857 1.00 0.00 C ATOM 656 C PHE A 44 35.406 25.435 22.954 1.00 0.00 C ATOM 657 O PHE A 44 35.214 24.633 22.038 1.00 0.00 O ATOM 658 CB PHE A 44 37.930 25.593 22.790 1.00 0.00 C ATOM 659 CG PHE A 44 38.187 24.704 23.996 1.00 0.00 C ATOM 660 CD1 PHE A 44 38.797 25.232 25.150 1.00 0.00 C ATOM 661 CD2 PHE A 44 37.793 23.352 23.975 1.00 0.00 C ATOM 662 CE1 PHE A 44 39.002 24.420 26.277 1.00 0.00 C ATOM 663 CE2 PHE A 44 37.987 22.542 25.107 1.00 0.00 C ATOM 664 CZ PHE A 44 38.592 23.077 26.258 1.00 0.00 C ATOM 0 H PHE A 44 36.233 27.032 24.801 1.00 0.00 H new ATOM 0 HA PHE A 44 36.460 26.978 21.946 1.00 0.00 H new ATOM 0 HB2 PHE A 44 37.915 24.972 21.894 1.00 0.00 H new ATOM 0 HB3 PHE A 44 38.763 26.287 22.683 1.00 0.00 H new ATOM 0 HD1 PHE A 44 39.109 26.266 25.168 1.00 0.00 H new ATOM 0 HD2 PHE A 44 37.341 22.937 23.087 1.00 0.00 H new ATOM 0 HE1 PHE A 44 39.475 24.828 27.158 1.00 0.00 H new ATOM 0 HE2 PHE A 44 37.672 21.509 25.093 1.00 0.00 H new ATOM 0 HZ PHE A 44 38.741 22.455 27.128 1.00 0.00 H new ATOM 674 N ALA A 45 34.610 25.470 24.034 1.00 0.00 N ATOM 675 CA ALA A 45 33.621 24.447 24.412 1.00 0.00 C ATOM 676 C ALA A 45 32.268 25.055 24.847 1.00 0.00 C ATOM 677 O ALA A 45 32.136 26.275 24.957 1.00 0.00 O ATOM 678 CB ALA A 45 34.236 23.583 25.523 1.00 0.00 C ATOM 0 H ALA A 45 34.639 26.245 24.696 1.00 0.00 H new ATOM 0 HA ALA A 45 33.392 23.834 23.540 1.00 0.00 H new ATOM 0 HB1 ALA A 45 33.523 22.815 25.823 1.00 0.00 H new ATOM 0 HB2 ALA A 45 35.146 23.110 25.154 1.00 0.00 H new ATOM 0 HB3 ALA A 45 34.476 24.211 26.381 1.00 0.00 H new ATOM 684 N CYS A 46 31.240 24.227 25.083 1.00 0.00 N ATOM 685 CA CYS A 46 29.925 24.729 25.494 1.00 0.00 C ATOM 686 C CYS A 46 29.896 25.274 26.934 1.00 0.00 C ATOM 687 O CYS A 46 30.513 24.706 27.842 1.00 0.00 O ATOM 688 CB CYS A 46 28.870 23.637 25.295 1.00 0.00 C ATOM 689 SG CYS A 46 28.301 23.418 23.590 1.00 0.00 S ATOM 0 H CYS A 46 31.295 23.212 24.996 1.00 0.00 H new ATOM 0 HA CYS A 46 29.695 25.582 24.856 1.00 0.00 H new ATOM 0 HB2 CYS A 46 29.278 22.691 25.649 1.00 0.00 H new ATOM 0 HB3 CYS A 46 28.009 23.867 25.922 1.00 0.00 H new ATOM 694 N TRP A 47 29.127 26.348 27.136 1.00 0.00 N ATOM 695 CA TRP A 47 29.056 27.170 28.350 1.00 0.00 C ATOM 696 C TRP A 47 27.626 27.678 28.595 1.00 0.00 C ATOM 697 O TRP A 47 26.886 27.942 27.644 1.00 0.00 O ATOM 698 CB TRP A 47 30.043 28.328 28.146 1.00 0.00 C ATOM 699 CG TRP A 47 30.137 29.396 29.192 1.00 0.00 C ATOM 700 CD1 TRP A 47 29.236 30.382 29.398 1.00 0.00 C ATOM 701 CD2 TRP A 47 31.236 29.667 30.116 1.00 0.00 C ATOM 702 NE1 TRP A 47 29.718 31.262 30.347 1.00 0.00 N ATOM 703 CE2 TRP A 47 30.954 30.879 30.812 1.00 0.00 C ATOM 704 CE3 TRP A 47 32.456 29.026 30.418 1.00 0.00 C ATOM 705 CZ2 TRP A 47 31.849 31.445 31.732 1.00 0.00 C ATOM 706 CZ3 TRP A 47 33.347 29.572 31.360 1.00 0.00 C ATOM 707 CH2 TRP A 47 33.053 30.781 32.009 1.00 0.00 C ATOM 0 H TRP A 47 28.497 26.689 26.410 1.00 0.00 H new ATOM 0 HA TRP A 47 29.320 26.590 29.234 1.00 0.00 H new ATOM 0 HB2 TRP A 47 31.037 27.896 28.027 1.00 0.00 H new ATOM 0 HB3 TRP A 47 29.791 28.813 27.203 1.00 0.00 H new ATOM 0 HD1 TRP A 47 28.283 30.469 28.897 1.00 0.00 H new ATOM 0 HE1 TRP A 47 29.219 32.093 30.664 1.00 0.00 H new ATOM 0 HE3 TRP A 47 32.710 28.103 29.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 31.614 32.379 32.220 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 34.268 29.055 31.586 1.00 0.00 H new ATOM 0 HH2 TRP A 47 33.751 31.199 32.719 1.00 0.00 H new ATOM 718 N CYS A 48 27.237 27.837 29.861 1.00 0.00 N ATOM 719 CA CYS A 48 25.877 28.175 30.291 1.00 0.00 C ATOM 720 C CYS A 48 25.828 29.482 31.109 1.00 0.00 C ATOM 721 O CYS A 48 26.756 29.796 31.858 1.00 0.00 O ATOM 722 CB CYS A 48 25.276 26.989 31.057 1.00 0.00 C ATOM 723 SG CYS A 48 25.347 25.390 30.196 1.00 0.00 S ATOM 0 H CYS A 48 27.882 27.730 30.644 1.00 0.00 H new ATOM 0 HA CYS A 48 25.270 28.363 29.405 1.00 0.00 H new ATOM 0 HB2 CYS A 48 25.796 26.893 32.010 1.00 0.00 H new ATOM 0 HB3 CYS A 48 24.234 27.215 31.283 1.00 0.00 H new ATOM 728 N THR A 49 24.737 30.241 30.961 1.00 0.00 N ATOM 729 CA THR A 49 24.558 31.611 31.489 1.00 0.00 C ATOM 730 C THR A 49 23.290 31.754 32.342 1.00 0.00 C ATOM 731 O THR A 49 22.375 30.936 32.251 1.00 0.00 O ATOM 732 CB THR A 49 24.573 32.661 30.356 1.00 0.00 C ATOM 733 OG1 THR A 49 23.572 32.432 29.381 1.00 0.00 O ATOM 734 CG2 THR A 49 25.908 32.655 29.608 1.00 0.00 C ATOM 0 H THR A 49 23.918 29.911 30.451 1.00 0.00 H new ATOM 0 HA THR A 49 25.409 31.799 32.143 1.00 0.00 H new ATOM 0 HB THR A 49 24.398 33.613 30.856 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.624 33.124 28.689 1.00 0.00 H new ATOM 0 HG21 THR A 49 25.885 33.405 28.817 1.00 0.00 H new ATOM 0 HG22 THR A 49 26.716 32.885 30.303 1.00 0.00 H new ATOM 0 HG23 THR A 49 26.075 31.671 29.170 1.00 0.00 H new ATOM 742 N HIS A 50 23.240 32.803 33.174 1.00 0.00 N ATOM 743 CA HIS A 50 22.192 33.065 34.178 1.00 0.00 C ATOM 744 C HIS A 50 21.991 31.903 35.162 1.00 0.00 C ATOM 745 O HIS A 50 20.882 31.404 35.366 1.00 0.00 O ATOM 746 CB HIS A 50 20.898 33.569 33.522 1.00 0.00 C ATOM 747 CG HIS A 50 19.917 34.150 34.516 1.00 0.00 C ATOM 748 ND1 HIS A 50 20.149 35.251 35.347 1.00 0.00 N ATOM 749 CD2 HIS A 50 18.683 33.649 34.799 1.00 0.00 C ATOM 750 CE1 HIS A 50 19.039 35.398 36.091 1.00 0.00 C ATOM 751 NE2 HIS A 50 18.144 34.453 35.775 1.00 0.00 N ATOM 0 H HIS A 50 23.959 33.526 33.168 1.00 0.00 H new ATOM 0 HA HIS A 50 22.546 33.881 34.807 1.00 0.00 H new ATOM 0 HB2 HIS A 50 21.146 34.327 32.779 1.00 0.00 H new ATOM 0 HB3 HIS A 50 20.422 32.745 32.990 1.00 0.00 H new ATOM 0 HD2 HIS A 50 18.218 32.787 34.345 1.00 0.00 H new ATOM 0 HE1 HIS A 50 18.891 36.166 36.835 1.00 0.00 H new ATOM 0 HE2 HIS A 50 17.218 34.348 36.189 1.00 0.00 H new ATOM 759 N LEU A 51 23.091 31.468 35.777 1.00 0.00 N ATOM 760 CA LEU A 51 23.120 30.429 36.807 1.00 0.00 C ATOM 761 C LEU A 51 23.071 31.072 38.204 1.00 0.00 C ATOM 762 O LEU A 51 23.728 32.093 38.429 1.00 0.00 O ATOM 763 CB LEU A 51 24.365 29.536 36.622 1.00 0.00 C ATOM 764 CG LEU A 51 24.672 29.106 35.171 1.00 0.00 C ATOM 765 CD1 LEU A 51 25.885 28.177 35.159 1.00 0.00 C ATOM 766 CD2 LEU A 51 23.493 28.391 34.515 1.00 0.00 C ATOM 0 H LEU A 51 24.016 31.841 35.565 1.00 0.00 H new ATOM 0 HA LEU A 51 22.242 29.790 36.709 1.00 0.00 H new ATOM 0 HB2 LEU A 51 25.232 30.067 37.015 1.00 0.00 H new ATOM 0 HB3 LEU A 51 24.239 28.639 37.228 1.00 0.00 H new ATOM 0 HG LEU A 51 24.873 30.013 34.600 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.101 27.874 34.135 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.748 28.700 35.572 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.673 27.294 35.762 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.759 28.109 33.496 1.00 0.00 H new ATOM 0 HD22 LEU A 51 23.247 27.496 35.086 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.630 29.057 34.493 1.00 0.00 H new ATOM 778 N TYR A 52 22.317 30.480 39.135 1.00 0.00 N ATOM 779 CA TYR A 52 22.093 31.021 40.486 1.00 0.00 C ATOM 780 C TYR A 52 23.395 31.277 41.275 1.00 0.00 C ATOM 781 O TYR A 52 24.403 30.595 41.088 1.00 0.00 O ATOM 782 CB TYR A 52 21.177 30.075 41.285 1.00 0.00 C ATOM 783 CG TYR A 52 19.696 30.109 40.936 1.00 0.00 C ATOM 784 CD1 TYR A 52 18.948 31.285 41.153 1.00 0.00 C ATOM 785 CD2 TYR A 52 19.042 28.946 40.484 1.00 0.00 C ATOM 786 CE1 TYR A 52 17.558 31.302 40.918 1.00 0.00 C ATOM 787 CE2 TYR A 52 17.655 28.962 40.232 1.00 0.00 C ATOM 788 CZ TYR A 52 16.910 30.140 40.450 1.00 0.00 C ATOM 789 OH TYR A 52 15.568 30.134 40.225 1.00 0.00 O ATOM 0 H TYR A 52 21.835 29.596 38.972 1.00 0.00 H new ATOM 0 HA TYR A 52 21.616 31.992 40.352 1.00 0.00 H new ATOM 0 HB2 TYR A 52 21.537 29.055 41.148 1.00 0.00 H new ATOM 0 HB3 TYR A 52 21.284 30.311 42.344 1.00 0.00 H new ATOM 0 HD1 TYR A 52 19.444 32.179 41.502 1.00 0.00 H new ATOM 0 HD2 TYR A 52 19.606 28.038 40.330 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.990 32.203 41.096 1.00 0.00 H new ATOM 0 HE2 TYR A 52 17.162 28.071 39.872 1.00 0.00 H new ATOM 0 HH TYR A 52 15.294 29.249 39.904 1.00 0.00 H new ATOM 799 N GLU A 53 23.362 32.182 42.259 1.00 0.00 N ATOM 800 CA GLU A 53 24.490 32.418 43.180 1.00 0.00 C ATOM 801 C GLU A 53 24.816 31.177 44.046 1.00 0.00 C ATOM 802 O GLU A 53 25.932 31.051 44.559 1.00 0.00 O ATOM 803 CB GLU A 53 24.216 33.628 44.095 1.00 0.00 C ATOM 804 CG GLU A 53 23.893 34.941 43.362 1.00 0.00 C ATOM 805 CD GLU A 53 23.909 36.148 44.314 1.00 0.00 C ATOM 806 OE1 GLU A 53 23.139 36.159 45.308 1.00 0.00 O ATOM 807 OE2 GLU A 53 24.749 37.063 44.120 1.00 0.00 O ATOM 0 H GLU A 53 22.553 32.775 42.443 1.00 0.00 H new ATOM 0 HA GLU A 53 25.357 32.627 42.554 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.383 33.384 44.754 1.00 0.00 H new ATOM 0 HB3 GLU A 53 25.088 33.789 44.729 1.00 0.00 H new ATOM 0 HG2 GLU A 53 24.618 35.099 42.564 1.00 0.00 H new ATOM 0 HG3 GLU A 53 22.913 34.863 42.892 1.00 0.00 H new ATOM 814 N GLN A 54 23.864 30.244 44.180 1.00 0.00 N ATOM 815 CA GLN A 54 24.031 28.931 44.824 1.00 0.00 C ATOM 816 C GLN A 54 24.375 27.773 43.858 1.00 0.00 C ATOM 817 O GLN A 54 24.618 26.650 44.318 1.00 0.00 O ATOM 818 CB GLN A 54 22.804 28.624 45.703 1.00 0.00 C ATOM 819 CG GLN A 54 21.465 28.530 44.948 1.00 0.00 C ATOM 820 CD GLN A 54 20.336 28.139 45.898 1.00 0.00 C ATOM 821 OE1 GLN A 54 19.888 28.930 46.724 1.00 0.00 O ATOM 822 NE2 GLN A 54 19.867 26.916 45.861 1.00 0.00 N ATOM 0 H GLN A 54 22.917 30.388 43.829 1.00 0.00 H new ATOM 0 HA GLN A 54 24.916 29.003 45.456 1.00 0.00 H new ATOM 0 HB2 GLN A 54 22.976 27.682 46.224 1.00 0.00 H new ATOM 0 HB3 GLN A 54 22.720 29.399 46.465 1.00 0.00 H new ATOM 0 HG2 GLN A 54 21.238 29.488 44.480 1.00 0.00 H new ATOM 0 HG3 GLN A 54 21.544 27.795 44.147 1.00 0.00 H new ATOM 0 HE21 GLN A 54 20.231 26.250 45.179 1.00 0.00 H new ATOM 0 HE22 GLN A 54 19.137 26.630 46.514 1.00 0.00 H new ATOM 831 N ALA A 55 24.419 28.016 42.543 1.00 0.00 N ATOM 832 CA ALA A 55 24.792 27.013 41.542 1.00 0.00 C ATOM 833 C ALA A 55 26.307 26.741 41.545 1.00 0.00 C ATOM 834 O ALA A 55 27.113 27.620 41.865 1.00 0.00 O ATOM 835 CB ALA A 55 24.293 27.448 40.158 1.00 0.00 C ATOM 0 H ALA A 55 24.194 28.926 42.141 1.00 0.00 H new ATOM 0 HA ALA A 55 24.310 26.070 41.801 1.00 0.00 H new ATOM 0 HB1 ALA A 55 24.573 26.698 39.418 1.00 0.00 H new ATOM 0 HB2 ALA A 55 23.208 27.550 40.178 1.00 0.00 H new ATOM 0 HB3 ALA A 55 24.743 28.405 39.893 1.00 0.00 H new ATOM 841 N VAL A 56 26.695 25.518 41.176 1.00 0.00 N ATOM 842 CA VAL A 56 28.095 25.070 41.110 1.00 0.00 C ATOM 843 C VAL A 56 28.572 25.074 39.658 1.00 0.00 C ATOM 844 O VAL A 56 27.901 24.519 38.785 1.00 0.00 O ATOM 845 CB VAL A 56 28.257 23.680 41.757 1.00 0.00 C ATOM 846 CG1 VAL A 56 29.714 23.205 41.732 1.00 0.00 C ATOM 847 CG2 VAL A 56 27.799 23.690 43.223 1.00 0.00 C ATOM 0 H VAL A 56 26.031 24.792 40.908 1.00 0.00 H new ATOM 0 HA VAL A 56 28.718 25.763 41.676 1.00 0.00 H new ATOM 0 HB VAL A 56 27.637 23.003 41.170 1.00 0.00 H new ATOM 0 HG11 VAL A 56 29.784 22.222 42.197 1.00 0.00 H new ATOM 0 HG12 VAL A 56 30.059 23.143 40.700 1.00 0.00 H new ATOM 0 HG13 VAL A 56 30.337 23.912 42.281 1.00 0.00 H new ATOM 0 HG21 VAL A 56 27.926 22.695 43.651 1.00 0.00 H new ATOM 0 HG22 VAL A 56 28.397 24.406 43.786 1.00 0.00 H new ATOM 0 HG23 VAL A 56 26.748 23.976 43.274 1.00 0.00 H new ATOM 857 N VAL A 57 29.743 25.660 39.391 1.00 0.00 N ATOM 858 CA VAL A 57 30.331 25.771 38.040 1.00 0.00 C ATOM 859 C VAL A 57 31.657 25.011 37.913 1.00 0.00 C ATOM 860 O VAL A 57 32.525 25.076 38.788 1.00 0.00 O ATOM 861 CB VAL A 57 30.445 27.236 37.568 1.00 0.00 C ATOM 862 CG1 VAL A 57 29.055 27.794 37.237 1.00 0.00 C ATOM 863 CG2 VAL A 57 31.106 28.176 38.583 1.00 0.00 C ATOM 0 H VAL A 57 30.324 26.080 40.116 1.00 0.00 H new ATOM 0 HA VAL A 57 29.633 25.282 37.361 1.00 0.00 H new ATOM 0 HB VAL A 57 31.087 27.204 36.688 1.00 0.00 H new ATOM 0 HG11 VAL A 57 29.148 28.828 36.905 1.00 0.00 H new ATOM 0 HG12 VAL A 57 28.603 27.198 36.445 1.00 0.00 H new ATOM 0 HG13 VAL A 57 28.425 27.753 38.126 1.00 0.00 H new ATOM 0 HG21 VAL A 57 31.146 29.185 38.172 1.00 0.00 H new ATOM 0 HG22 VAL A 57 30.525 28.183 39.505 1.00 0.00 H new ATOM 0 HG23 VAL A 57 32.118 27.830 38.794 1.00 0.00 H new ATOM 873 N TRP A 58 31.802 24.260 36.822 1.00 0.00 N ATOM 874 CA TRP A 58 32.952 23.404 36.508 1.00 0.00 C ATOM 875 C TRP A 58 34.020 24.170 35.703 1.00 0.00 C ATOM 876 O TRP A 58 33.662 24.789 34.701 1.00 0.00 O ATOM 877 CB TRP A 58 32.435 22.202 35.710 1.00 0.00 C ATOM 878 CG TRP A 58 33.460 21.252 35.172 1.00 0.00 C ATOM 879 CD1 TRP A 58 34.323 20.513 35.906 1.00 0.00 C ATOM 880 CD2 TRP A 58 33.717 20.894 33.778 1.00 0.00 C ATOM 881 NE1 TRP A 58 35.109 19.748 35.065 1.00 0.00 N ATOM 882 CE2 TRP A 58 34.773 19.936 33.744 1.00 0.00 C ATOM 883 CE3 TRP A 58 33.150 21.260 32.536 1.00 0.00 C ATOM 884 CZ2 TRP A 58 35.254 19.385 32.549 1.00 0.00 C ATOM 885 CZ3 TRP A 58 33.626 20.714 31.328 1.00 0.00 C ATOM 886 CH2 TRP A 58 34.684 19.789 31.331 1.00 0.00 C ATOM 0 H TRP A 58 31.087 24.228 36.095 1.00 0.00 H new ATOM 0 HA TRP A 58 33.429 23.074 37.431 1.00 0.00 H new ATOM 0 HB2 TRP A 58 31.754 21.639 36.348 1.00 0.00 H new ATOM 0 HB3 TRP A 58 31.849 22.579 34.872 1.00 0.00 H new ATOM 0 HD1 TRP A 58 34.388 20.520 36.984 1.00 0.00 H new ATOM 0 HE1 TRP A 58 35.847 19.121 35.384 1.00 0.00 H new ATOM 0 HE3 TRP A 58 32.337 21.971 32.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 36.053 18.659 32.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 33.174 21.008 30.392 1.00 0.00 H new ATOM 0 HH2 TRP A 58 35.057 19.390 30.399 1.00 0.00 H new ATOM 897 N PRO A 59 35.312 24.138 36.095 1.00 0.00 N ATOM 898 CA PRO A 59 36.401 24.797 35.369 1.00 0.00 C ATOM 899 C PRO A 59 37.095 23.878 34.343 1.00 0.00 C ATOM 900 O PRO A 59 37.170 22.657 34.522 1.00 0.00 O ATOM 901 CB PRO A 59 37.358 25.262 36.465 1.00 0.00 C ATOM 902 CG PRO A 59 37.239 24.161 37.515 1.00 0.00 C ATOM 903 CD PRO A 59 35.790 23.689 37.397 1.00 0.00 C ATOM 0 HA PRO A 59 36.030 25.621 34.760 1.00 0.00 H new ATOM 0 HB2 PRO A 59 38.379 25.358 36.095 1.00 0.00 H new ATOM 0 HB3 PRO A 59 37.071 26.234 36.865 1.00 0.00 H new ATOM 0 HG2 PRO A 59 37.940 23.349 37.322 1.00 0.00 H new ATOM 0 HG3 PRO A 59 37.455 24.538 38.515 1.00 0.00 H new ATOM 0 HD2 PRO A 59 35.728 22.604 37.480 1.00 0.00 H new ATOM 0 HD3 PRO A 59 35.180 24.105 38.199 1.00 0.00 H new ATOM 911 N LEU A 60 37.658 24.475 33.288 1.00 0.00 N ATOM 912 CA LEU A 60 38.286 23.787 32.150 1.00 0.00 C ATOM 913 C LEU A 60 39.471 24.614 31.579 1.00 0.00 C ATOM 914 O LEU A 60 39.334 25.266 30.541 1.00 0.00 O ATOM 915 CB LEU A 60 37.170 23.502 31.117 1.00 0.00 C ATOM 916 CG LEU A 60 37.571 22.660 29.893 1.00 0.00 C ATOM 917 CD1 LEU A 60 38.050 21.261 30.277 1.00 0.00 C ATOM 918 CD2 LEU A 60 36.357 22.513 28.972 1.00 0.00 C ATOM 0 H LEU A 60 37.691 25.490 33.197 1.00 0.00 H new ATOM 0 HA LEU A 60 38.733 22.840 32.453 1.00 0.00 H new ATOM 0 HB2 LEU A 60 36.352 22.994 31.628 1.00 0.00 H new ATOM 0 HB3 LEU A 60 36.780 24.456 30.763 1.00 0.00 H new ATOM 0 HG LEU A 60 38.394 23.176 29.398 1.00 0.00 H new ATOM 0 HD11 LEU A 60 38.320 20.709 29.377 1.00 0.00 H new ATOM 0 HD12 LEU A 60 38.920 21.340 30.929 1.00 0.00 H new ATOM 0 HD13 LEU A 60 37.252 20.734 30.800 1.00 0.00 H new ATOM 0 HD21 LEU A 60 36.631 21.918 28.101 1.00 0.00 H new ATOM 0 HD22 LEU A 60 35.549 22.018 29.511 1.00 0.00 H new ATOM 0 HD23 LEU A 60 36.025 23.499 28.647 1.00 0.00 H new ATOM 930 N PRO A 61 40.645 24.640 32.246 1.00 0.00 N ATOM 931 CA PRO A 61 41.795 25.477 31.861 1.00 0.00 C ATOM 932 C PRO A 61 42.602 24.967 30.648 1.00 0.00 C ATOM 933 O PRO A 61 43.469 25.688 30.142 1.00 0.00 O ATOM 934 CB PRO A 61 42.678 25.525 33.114 1.00 0.00 C ATOM 935 CG PRO A 61 42.413 24.168 33.762 1.00 0.00 C ATOM 936 CD PRO A 61 40.921 23.963 33.507 1.00 0.00 C ATOM 0 HA PRO A 61 41.437 26.453 31.532 1.00 0.00 H new ATOM 0 HB2 PRO A 61 43.731 25.655 32.863 1.00 0.00 H new ATOM 0 HB3 PRO A 61 42.403 26.349 33.772 1.00 0.00 H new ATOM 0 HG2 PRO A 61 43.014 23.379 33.310 1.00 0.00 H new ATOM 0 HG3 PRO A 61 42.645 24.175 34.827 1.00 0.00 H new ATOM 0 HD2 PRO A 61 40.675 22.903 33.445 1.00 0.00 H new ATOM 0 HD3 PRO A 61 40.323 24.382 34.316 1.00 0.00 H new ATOM 944 N ASN A 62 42.356 23.734 30.200 1.00 0.00 N ATOM 945 CA ASN A 62 42.997 23.068 29.061 1.00 0.00 C ATOM 946 C ASN A 62 41.969 22.121 28.400 1.00 0.00 C ATOM 947 O ASN A 62 41.055 21.634 29.067 1.00 0.00 O ATOM 948 CB ASN A 62 44.255 22.332 29.587 1.00 0.00 C ATOM 949 CG ASN A 62 45.066 21.555 28.551 1.00 0.00 C ATOM 950 OD1 ASN A 62 44.873 21.646 27.347 1.00 0.00 O ATOM 951 ND2 ASN A 62 45.994 20.738 28.984 1.00 0.00 N ATOM 0 H ASN A 62 41.662 23.136 30.649 1.00 0.00 H new ATOM 0 HA ASN A 62 43.320 23.773 28.295 1.00 0.00 H new ATOM 0 HB2 ASN A 62 44.911 23.066 30.055 1.00 0.00 H new ATOM 0 HB3 ASN A 62 43.944 21.639 30.369 1.00 0.00 H new ATOM 0 HD21 ASN A 62 46.542 20.191 28.320 1.00 0.00 H new ATOM 0 HD22 ASN A 62 46.169 20.649 29.985 1.00 0.00 H new ATOM 958 N LYS A 63 42.126 21.831 27.105 1.00 0.00 N ATOM 959 CA LYS A 63 41.353 20.850 26.320 1.00 0.00 C ATOM 960 C LYS A 63 41.692 19.407 26.739 1.00 0.00 C ATOM 961 O LYS A 63 42.334 18.658 25.999 1.00 0.00 O ATOM 962 CB LYS A 63 41.581 21.177 24.830 1.00 0.00 C ATOM 963 CG LYS A 63 40.700 20.386 23.853 1.00 0.00 C ATOM 964 CD LYS A 63 40.945 20.856 22.411 1.00 0.00 C ATOM 965 CE LYS A 63 40.003 20.120 21.458 1.00 0.00 C ATOM 966 NZ LYS A 63 40.297 20.432 20.042 1.00 0.00 N ATOM 0 H LYS A 63 42.835 22.298 26.540 1.00 0.00 H new ATOM 0 HA LYS A 63 40.283 20.922 26.514 1.00 0.00 H new ATOM 0 HB2 LYS A 63 41.405 22.241 24.675 1.00 0.00 H new ATOM 0 HB3 LYS A 63 42.627 20.989 24.588 1.00 0.00 H new ATOM 0 HG2 LYS A 63 40.918 19.321 23.937 1.00 0.00 H new ATOM 0 HG3 LYS A 63 39.649 20.518 24.112 1.00 0.00 H new ATOM 0 HD2 LYS A 63 40.784 21.932 22.337 1.00 0.00 H new ATOM 0 HD3 LYS A 63 41.981 20.669 22.129 1.00 0.00 H new ATOM 0 HE2 LYS A 63 40.091 19.045 21.619 1.00 0.00 H new ATOM 0 HE3 LYS A 63 38.972 20.393 21.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 39.531 20.068 19.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 40.372 21.462 19.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 41.195 19.985 19.767 1.00 0.00 H new ATOM 980 N THR A 64 41.329 19.039 27.968 1.00 0.00 N ATOM 981 CA THR A 64 41.653 17.759 28.611 1.00 0.00 C ATOM 982 C THR A 64 40.521 16.735 28.510 1.00 0.00 C ATOM 983 O THR A 64 39.339 17.085 28.444 1.00 0.00 O ATOM 984 CB THR A 64 42.050 17.962 30.083 1.00 0.00 C ATOM 985 OG1 THR A 64 41.082 18.710 30.789 1.00 0.00 O ATOM 986 CG2 THR A 64 43.387 18.674 30.225 1.00 0.00 C ATOM 0 H THR A 64 40.777 19.649 28.571 1.00 0.00 H new ATOM 0 HA THR A 64 42.503 17.354 28.062 1.00 0.00 H new ATOM 0 HB THR A 64 42.125 16.960 30.504 1.00 0.00 H new ATOM 0 HG1 THR A 64 41.367 18.818 31.720 1.00 0.00 H new ATOM 0 HG21 THR A 64 43.625 18.794 31.282 1.00 0.00 H new ATOM 0 HG22 THR A 64 44.166 18.084 29.743 1.00 0.00 H new ATOM 0 HG23 THR A 64 43.329 19.654 29.752 1.00 0.00 H new ATOM 994 N CYS A 65 40.895 15.455 28.502 1.00 0.00 N ATOM 995 CA CYS A 65 39.983 14.306 28.482 1.00 0.00 C ATOM 996 C CYS A 65 40.576 13.037 29.140 1.00 0.00 C ATOM 997 O CYS A 65 39.843 12.092 29.442 1.00 0.00 O ATOM 998 CB CYS A 65 39.601 14.031 27.019 1.00 0.00 C ATOM 999 SG CYS A 65 38.059 13.111 26.768 1.00 0.00 S ATOM 0 H CYS A 65 41.877 15.178 28.510 1.00 0.00 H new ATOM 0 HA CYS A 65 39.105 14.556 29.078 1.00 0.00 H new ATOM 0 HB2 CYS A 65 39.522 14.985 26.498 1.00 0.00 H new ATOM 0 HB3 CYS A 65 40.414 13.477 26.549 1.00 0.00 H new ATOM 1004 N ASN A 66 41.895 12.993 29.374 1.00 0.00 N ATOM 1005 CA ASN A 66 42.597 11.848 29.955 1.00 0.00 C ATOM 1006 C ASN A 66 42.351 11.760 31.472 1.00 0.00 C ATOM 1007 O ASN A 66 42.387 12.762 32.193 1.00 0.00 O ATOM 1008 CB ASN A 66 44.098 11.941 29.602 1.00 0.00 C ATOM 1009 CG ASN A 66 44.815 10.603 29.683 1.00 0.00 C ATOM 1010 OD1 ASN A 66 45.113 9.976 28.672 1.00 0.00 O ATOM 1011 ND2 ASN A 66 45.106 10.092 30.855 1.00 0.00 N ATOM 0 H ASN A 66 42.515 13.773 29.158 1.00 0.00 H new ATOM 0 HA ASN A 66 42.206 10.923 29.531 1.00 0.00 H new ATOM 0 HB2 ASN A 66 44.204 12.342 28.594 1.00 0.00 H new ATOM 0 HB3 ASN A 66 44.581 12.646 30.278 1.00 0.00 H new ATOM 0 HD21 ASN A 66 45.573 9.187 30.915 1.00 0.00 H new ATOM 0 HD22 ASN A 66 44.866 10.599 31.707 1.00 0.00 H new