USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 494 hydrogens (2 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 7 SER OG : rot -145:sc= 0.901 USER MOD Set 1.2: A 10 THR OG1 : rot 96:sc= 1.26 USER MOD Single : A 1 LYS N :NH3+ 144:sc= 0.00731 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 98:sc= -0.131 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= 1.01 K(o=1,f=-1.3) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -152:sc= 2.09 (180deg=1.21) USER MOD Single : A 31 GLN : amide:sc= -0.0599 X(o=-0.06,f=-0.06) USER MOD Single : A 32 GLN : amide:sc= -0.0254 K(o=-0.025,f=-1.2) USER MOD Single : A 33 TYR OH : rot -13:sc= 1.24 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 87:sc= 1.22 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= -0.0534 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0.0573 K(o=0.057,f=-3.1!) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 26.713 33.311 39.262 1.00 0.00 N ATOM 2 CA LYS A 1 27.888 33.566 38.400 1.00 0.00 C ATOM 3 C LYS A 1 27.896 32.613 37.214 1.00 0.00 C ATOM 4 O LYS A 1 27.649 31.417 37.382 1.00 0.00 O ATOM 5 CB LYS A 1 29.225 33.568 39.167 1.00 0.00 C ATOM 6 CG LYS A 1 29.595 32.262 39.899 1.00 0.00 C ATOM 7 CD LYS A 1 30.961 32.423 40.590 1.00 0.00 C ATOM 8 CE LYS A 1 31.297 31.327 41.615 1.00 0.00 C ATOM 9 NZ LYS A 1 31.497 29.991 41.008 1.00 0.00 N ATOM 0 H1 LYS A 1 26.976 33.454 40.258 1.00 0.00 H new ATOM 0 H2 LYS A 1 25.947 33.968 39.008 1.00 0.00 H new ATOM 0 H3 LYS A 1 26.389 32.332 39.126 1.00 0.00 H new ATOM 0 HA LYS A 1 27.788 34.582 38.017 1.00 0.00 H new ATOM 0 HB2 LYS A 1 30.023 33.803 38.463 1.00 0.00 H new ATOM 0 HB3 LYS A 1 29.198 34.375 39.899 1.00 0.00 H new ATOM 0 HG2 LYS A 1 28.830 32.018 40.636 1.00 0.00 H new ATOM 0 HG3 LYS A 1 29.630 31.434 39.191 1.00 0.00 H new ATOM 0 HD2 LYS A 1 31.739 32.438 39.827 1.00 0.00 H new ATOM 0 HD3 LYS A 1 30.987 33.390 41.091 1.00 0.00 H new ATOM 0 HE2 LYS A 1 32.200 31.611 42.155 1.00 0.00 H new ATOM 0 HE3 LYS A 1 30.493 31.267 42.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 31.720 29.301 41.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 30.629 29.700 40.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 32.283 30.033 40.328 1.00 0.00 H new ATOM 25 N GLU A 2 28.174 33.122 36.016 1.00 0.00 N ATOM 26 CA GLU A 2 28.183 32.334 34.772 1.00 0.00 C ATOM 27 C GLU A 2 29.379 31.352 34.758 1.00 0.00 C ATOM 28 O GLU A 2 30.383 31.606 35.437 1.00 0.00 O ATOM 29 CB GLU A 2 28.196 33.279 33.550 1.00 0.00 C ATOM 30 CG GLU A 2 27.340 34.567 33.621 1.00 0.00 C ATOM 31 CD GLU A 2 25.823 34.359 33.770 1.00 0.00 C ATOM 32 OE1 GLU A 2 25.394 33.497 34.572 1.00 0.00 O ATOM 33 OE2 GLU A 2 25.034 35.076 33.105 1.00 0.00 O ATOM 0 H GLU A 2 28.403 34.106 35.873 1.00 0.00 H new ATOM 0 HA GLU A 2 27.275 31.734 34.720 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.229 33.574 33.366 1.00 0.00 H new ATOM 0 HB3 GLU A 2 27.868 32.707 32.682 1.00 0.00 H new ATOM 0 HG2 GLU A 2 27.689 35.166 34.462 1.00 0.00 H new ATOM 0 HG3 GLU A 2 27.520 35.150 32.718 1.00 0.00 H new ATOM 40 N GLY A 3 29.321 30.227 34.032 1.00 0.00 N ATOM 41 CA GLY A 3 30.412 29.240 34.103 1.00 0.00 C ATOM 42 C GLY A 3 30.374 28.068 33.124 1.00 0.00 C ATOM 43 O GLY A 3 29.396 27.834 32.414 1.00 0.00 O ATOM 0 H GLY A 3 28.555 29.980 33.405 1.00 0.00 H new ATOM 0 HA2 GLY A 3 31.353 29.769 33.956 1.00 0.00 H new ATOM 0 HA3 GLY A 3 30.430 28.832 35.114 1.00 0.00 H new ATOM 47 N TYR A 4 31.479 27.321 33.092 1.00 0.00 N ATOM 48 CA TYR A 4 31.726 26.235 32.140 1.00 0.00 C ATOM 49 C TYR A 4 30.859 24.998 32.437 1.00 0.00 C ATOM 50 O TYR A 4 30.751 24.559 33.587 1.00 0.00 O ATOM 51 CB TYR A 4 33.233 25.917 32.145 1.00 0.00 C ATOM 52 CG TYR A 4 33.826 25.351 30.866 1.00 0.00 C ATOM 53 CD1 TYR A 4 33.656 26.024 29.638 1.00 0.00 C ATOM 54 CD2 TYR A 4 34.660 24.217 30.923 1.00 0.00 C ATOM 55 CE1 TYR A 4 34.336 25.590 28.485 1.00 0.00 C ATOM 56 CE2 TYR A 4 35.339 23.778 29.770 1.00 0.00 C ATOM 57 CZ TYR A 4 35.194 24.473 28.553 1.00 0.00 C ATOM 58 OH TYR A 4 35.896 24.093 27.453 1.00 0.00 O ATOM 0 H TYR A 4 32.249 27.458 33.746 1.00 0.00 H new ATOM 0 HA TYR A 4 31.434 26.553 31.139 1.00 0.00 H new ATOM 0 HB2 TYR A 4 33.771 26.833 32.391 1.00 0.00 H new ATOM 0 HB3 TYR A 4 33.426 25.208 32.950 1.00 0.00 H new ATOM 0 HD1 TYR A 4 32.999 26.879 29.582 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.779 23.683 31.854 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.201 26.112 27.549 1.00 0.00 H new ATOM 0 HE2 TYR A 4 35.973 22.905 29.819 1.00 0.00 H new ATOM 0 HH TYR A 4 36.804 24.457 27.503 1.00 0.00 H new ATOM 68 N LEU A 5 30.232 24.424 31.404 1.00 0.00 N ATOM 69 CA LEU A 5 29.304 23.295 31.549 1.00 0.00 C ATOM 70 C LEU A 5 30.051 22.024 31.984 1.00 0.00 C ATOM 71 O LEU A 5 31.031 21.642 31.344 1.00 0.00 O ATOM 72 CB LEU A 5 28.558 23.109 30.213 1.00 0.00 C ATOM 73 CG LEU A 5 27.574 21.926 30.162 1.00 0.00 C ATOM 74 CD1 LEU A 5 26.451 22.027 31.193 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.931 21.864 28.778 1.00 0.00 C ATOM 0 H LEU A 5 30.354 24.731 30.439 1.00 0.00 H new ATOM 0 HA LEU A 5 28.575 23.500 32.333 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.010 24.025 29.993 1.00 0.00 H new ATOM 0 HB3 LEU A 5 29.295 22.980 29.420 1.00 0.00 H new ATOM 0 HG LEU A 5 28.156 21.032 30.385 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.794 21.162 31.102 1.00 0.00 H new ATOM 0 HD12 LEU A 5 26.879 22.054 32.195 1.00 0.00 H new ATOM 0 HD13 LEU A 5 25.878 22.937 31.018 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.233 21.027 28.738 1.00 0.00 H new ATOM 0 HD22 LEU A 5 26.395 22.793 28.584 1.00 0.00 H new ATOM 0 HD23 LEU A 5 27.705 21.727 28.023 1.00 0.00 H new ATOM 87 N VAL A 6 29.586 21.354 33.044 1.00 0.00 N ATOM 88 CA VAL A 6 30.193 20.118 33.576 1.00 0.00 C ATOM 89 C VAL A 6 29.556 18.849 32.991 1.00 0.00 C ATOM 90 O VAL A 6 28.330 18.734 32.921 1.00 0.00 O ATOM 91 CB VAL A 6 30.215 20.123 35.120 1.00 0.00 C ATOM 92 CG1 VAL A 6 28.827 20.184 35.774 1.00 0.00 C ATOM 93 CG2 VAL A 6 30.965 18.904 35.667 1.00 0.00 C ATOM 0 H VAL A 6 28.765 21.656 33.568 1.00 0.00 H new ATOM 0 HA VAL A 6 31.231 20.100 33.245 1.00 0.00 H new ATOM 0 HB VAL A 6 30.735 21.044 35.383 1.00 0.00 H new ATOM 0 HG11 VAL A 6 28.935 20.184 36.859 1.00 0.00 H new ATOM 0 HG12 VAL A 6 28.317 21.095 35.461 1.00 0.00 H new ATOM 0 HG13 VAL A 6 28.242 19.317 35.468 1.00 0.00 H new ATOM 0 HG21 VAL A 6 30.964 18.935 36.757 1.00 0.00 H new ATOM 0 HG22 VAL A 6 30.472 17.992 35.329 1.00 0.00 H new ATOM 0 HG23 VAL A 6 31.993 18.917 35.305 1.00 0.00 H new ATOM 103 N SER A 7 30.396 17.893 32.584 1.00 0.00 N ATOM 104 CA SER A 7 30.013 16.557 32.098 1.00 0.00 C ATOM 105 C SER A 7 29.843 15.568 33.259 1.00 0.00 C ATOM 106 O SER A 7 30.649 15.580 34.198 1.00 0.00 O ATOM 107 CB SER A 7 31.095 16.051 31.143 1.00 0.00 C ATOM 108 OG SER A 7 30.648 14.935 30.410 1.00 0.00 O ATOM 0 H SER A 7 31.407 18.032 32.583 1.00 0.00 H new ATOM 0 HA SER A 7 29.056 16.633 31.582 1.00 0.00 H new ATOM 0 HB2 SER A 7 31.380 16.849 30.457 1.00 0.00 H new ATOM 0 HB3 SER A 7 31.987 15.783 31.709 1.00 0.00 H new ATOM 0 HG SER A 7 31.397 14.320 30.261 1.00 0.00 H new ATOM 114 N LYS A 8 28.817 14.707 33.230 1.00 0.00 N ATOM 115 CA LYS A 8 28.423 13.889 34.398 1.00 0.00 C ATOM 116 C LYS A 8 29.489 12.867 34.825 1.00 0.00 C ATOM 117 O LYS A 8 29.833 12.818 36.012 1.00 0.00 O ATOM 118 CB LYS A 8 27.042 13.242 34.163 1.00 0.00 C ATOM 119 CG LYS A 8 26.426 12.778 35.496 1.00 0.00 C ATOM 120 CD LYS A 8 25.076 12.069 35.324 1.00 0.00 C ATOM 121 CE LYS A 8 24.604 11.517 36.677 1.00 0.00 C ATOM 122 NZ LYS A 8 23.276 10.867 36.583 1.00 0.00 N ATOM 0 H LYS A 8 28.237 14.554 32.405 1.00 0.00 H new ATOM 0 HA LYS A 8 28.340 14.568 35.247 1.00 0.00 H new ATOM 0 HB2 LYS A 8 26.377 13.957 33.679 1.00 0.00 H new ATOM 0 HB3 LYS A 8 27.143 12.392 33.488 1.00 0.00 H new ATOM 0 HG2 LYS A 8 27.122 12.104 35.995 1.00 0.00 H new ATOM 0 HG3 LYS A 8 26.295 13.641 36.148 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.337 12.765 34.927 1.00 0.00 H new ATOM 0 HD3 LYS A 8 25.170 11.258 34.602 1.00 0.00 H new ATOM 0 HE2 LYS A 8 25.334 10.797 37.048 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.559 12.329 37.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.997 10.509 37.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.573 11.559 36.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 23.324 10.075 35.910 1.00 0.00 H new ATOM 136 N SER A 9 30.075 12.119 33.888 1.00 0.00 N ATOM 137 CA SER A 9 31.072 11.074 34.186 1.00 0.00 C ATOM 138 C SER A 9 32.505 11.426 33.762 1.00 0.00 C ATOM 139 O SER A 9 33.442 10.870 34.333 1.00 0.00 O ATOM 140 CB SER A 9 30.632 9.729 33.596 1.00 0.00 C ATOM 141 OG SER A 9 29.468 9.293 34.274 1.00 0.00 O ATOM 0 H SER A 9 29.874 12.217 32.893 1.00 0.00 H new ATOM 0 HA SER A 9 31.109 10.998 35.273 1.00 0.00 H new ATOM 0 HB2 SER A 9 30.431 9.832 32.530 1.00 0.00 H new ATOM 0 HB3 SER A 9 31.428 8.992 33.701 1.00 0.00 H new ATOM 0 HG SER A 9 29.176 8.434 33.904 1.00 0.00 H new ATOM 147 N THR A 10 32.701 12.364 32.830 1.00 0.00 N ATOM 148 CA THR A 10 34.036 12.737 32.305 1.00 0.00 C ATOM 149 C THR A 10 34.558 14.115 32.741 1.00 0.00 C ATOM 150 O THR A 10 35.723 14.434 32.490 1.00 0.00 O ATOM 151 CB THR A 10 34.058 12.632 30.772 1.00 0.00 C ATOM 152 OG1 THR A 10 33.056 13.446 30.207 1.00 0.00 O ATOM 153 CG2 THR A 10 33.817 11.195 30.304 1.00 0.00 C ATOM 0 H THR A 10 31.938 12.895 32.410 1.00 0.00 H new ATOM 0 HA THR A 10 34.719 12.016 32.754 1.00 0.00 H new ATOM 0 HB THR A 10 35.045 12.960 30.447 1.00 0.00 H new ATOM 0 HG1 THR A 10 33.441 14.311 29.955 1.00 0.00 H new ATOM 0 HG21 THR A 10 33.839 11.158 29.215 1.00 0.00 H new ATOM 0 HG22 THR A 10 34.596 10.546 30.705 1.00 0.00 H new ATOM 0 HG23 THR A 10 32.844 10.855 30.659 1.00 0.00 H new ATOM 161 N GLY A 11 33.734 14.940 33.401 1.00 0.00 N ATOM 162 CA GLY A 11 34.062 16.311 33.827 1.00 0.00 C ATOM 163 C GLY A 11 34.087 17.326 32.675 1.00 0.00 C ATOM 164 O GLY A 11 33.288 18.269 32.659 1.00 0.00 O ATOM 0 H GLY A 11 32.788 14.664 33.663 1.00 0.00 H new ATOM 0 HA2 GLY A 11 33.333 16.635 34.570 1.00 0.00 H new ATOM 0 HA3 GLY A 11 35.036 16.307 34.317 1.00 0.00 H new ATOM 168 N CYS A 12 34.945 17.097 31.678 1.00 0.00 N ATOM 169 CA CYS A 12 35.015 17.874 30.439 1.00 0.00 C ATOM 170 C CYS A 12 33.973 17.409 29.399 1.00 0.00 C ATOM 171 O CYS A 12 33.626 16.230 29.328 1.00 0.00 O ATOM 172 CB CYS A 12 36.443 17.831 29.883 1.00 0.00 C ATOM 173 SG CYS A 12 36.958 16.218 29.233 1.00 0.00 S ATOM 0 H CYS A 12 35.631 16.343 31.712 1.00 0.00 H new ATOM 0 HA CYS A 12 34.764 18.910 30.668 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.531 18.572 29.088 1.00 0.00 H new ATOM 0 HB3 CYS A 12 37.134 18.126 30.672 1.00 0.00 H new ATOM 178 N LYS A 13 33.476 18.339 28.582 1.00 0.00 N ATOM 179 CA LYS A 13 32.486 18.121 27.511 1.00 0.00 C ATOM 180 C LYS A 13 33.161 17.811 26.172 1.00 0.00 C ATOM 181 O LYS A 13 34.390 17.858 26.056 1.00 0.00 O ATOM 182 CB LYS A 13 31.584 19.369 27.405 1.00 0.00 C ATOM 183 CG LYS A 13 30.743 19.661 28.660 1.00 0.00 C ATOM 184 CD LYS A 13 29.643 18.632 28.937 1.00 0.00 C ATOM 185 CE LYS A 13 28.546 18.667 27.872 1.00 0.00 C ATOM 186 NZ LYS A 13 27.486 17.687 28.179 1.00 0.00 N ATOM 0 H LYS A 13 33.764 19.315 28.648 1.00 0.00 H new ATOM 0 HA LYS A 13 31.878 17.252 27.761 1.00 0.00 H new ATOM 0 HB2 LYS A 13 32.210 20.236 27.193 1.00 0.00 H new ATOM 0 HB3 LYS A 13 30.913 19.245 26.555 1.00 0.00 H new ATOM 0 HG2 LYS A 13 31.406 19.708 29.524 1.00 0.00 H new ATOM 0 HG3 LYS A 13 30.286 20.645 28.555 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.081 17.634 28.974 1.00 0.00 H new ATOM 0 HD3 LYS A 13 29.204 18.825 29.916 1.00 0.00 H new ATOM 0 HE2 LYS A 13 28.118 19.668 27.818 1.00 0.00 H new ATOM 0 HE3 LYS A 13 28.975 18.450 26.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 26.752 17.728 27.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.895 16.731 28.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 27.063 17.911 29.103 1.00 0.00 H new ATOM 200 N TYR A 14 32.360 17.503 25.158 1.00 0.00 N ATOM 201 CA TYR A 14 32.796 17.392 23.762 1.00 0.00 C ATOM 202 C TYR A 14 32.852 18.777 23.098 1.00 0.00 C ATOM 203 O TYR A 14 32.117 19.690 23.481 1.00 0.00 O ATOM 204 CB TYR A 14 31.896 16.401 23.000 1.00 0.00 C ATOM 205 CG TYR A 14 32.622 15.133 22.592 1.00 0.00 C ATOM 206 CD1 TYR A 14 33.073 14.223 23.571 1.00 0.00 C ATOM 207 CD2 TYR A 14 32.886 14.885 21.233 1.00 0.00 C ATOM 208 CE1 TYR A 14 33.839 13.100 23.197 1.00 0.00 C ATOM 209 CE2 TYR A 14 33.639 13.759 20.858 1.00 0.00 C ATOM 210 CZ TYR A 14 34.150 12.882 21.837 1.00 0.00 C ATOM 211 OH TYR A 14 34.949 11.848 21.461 1.00 0.00 O ATOM 0 H TYR A 14 31.365 17.318 25.282 1.00 0.00 H new ATOM 0 HA TYR A 14 33.810 16.992 23.732 1.00 0.00 H new ATOM 0 HB2 TYR A 14 31.043 16.139 23.625 1.00 0.00 H new ATOM 0 HB3 TYR A 14 31.500 16.889 22.109 1.00 0.00 H new ATOM 0 HD1 TYR A 14 32.831 14.387 24.611 1.00 0.00 H new ATOM 0 HD2 TYR A 14 32.510 15.560 20.478 1.00 0.00 H new ATOM 0 HE1 TYR A 14 34.187 12.408 23.949 1.00 0.00 H new ATOM 0 HE2 TYR A 14 33.828 13.564 19.813 1.00 0.00 H new ATOM 0 HH TYR A 14 35.053 11.852 20.487 1.00 0.00 H new ATOM 221 N GLU A 15 33.727 18.954 22.105 1.00 0.00 N ATOM 222 CA GLU A 15 33.918 20.258 21.455 1.00 0.00 C ATOM 223 C GLU A 15 32.811 20.595 20.430 1.00 0.00 C ATOM 224 O GLU A 15 32.253 19.706 19.779 1.00 0.00 O ATOM 225 CB GLU A 15 35.316 20.359 20.816 1.00 0.00 C ATOM 226 CG GLU A 15 36.484 20.475 21.811 1.00 0.00 C ATOM 227 CD GLU A 15 37.064 19.133 22.274 1.00 0.00 C ATOM 228 OE1 GLU A 15 37.545 18.345 21.423 1.00 0.00 O ATOM 229 OE2 GLU A 15 37.089 18.856 23.495 1.00 0.00 O ATOM 0 H GLU A 15 34.317 18.210 21.731 1.00 0.00 H new ATOM 0 HA GLU A 15 33.842 21.007 22.243 1.00 0.00 H new ATOM 0 HB2 GLU A 15 35.477 19.480 20.192 1.00 0.00 H new ATOM 0 HB3 GLU A 15 35.334 21.226 20.156 1.00 0.00 H new ATOM 0 HG2 GLU A 15 37.280 21.060 21.350 1.00 0.00 H new ATOM 0 HG3 GLU A 15 36.145 21.031 22.685 1.00 0.00 H new ATOM 236 N CYS A 16 32.502 21.884 20.259 1.00 0.00 N ATOM 237 CA CYS A 16 31.406 22.395 19.424 1.00 0.00 C ATOM 238 C CYS A 16 31.762 22.510 17.923 1.00 0.00 C ATOM 239 O CYS A 16 32.922 22.730 17.550 1.00 0.00 O ATOM 240 CB CYS A 16 30.900 23.722 20.018 1.00 0.00 C ATOM 241 SG CYS A 16 32.033 25.136 19.880 1.00 0.00 S ATOM 0 H CYS A 16 33.027 22.630 20.715 1.00 0.00 H new ATOM 0 HA CYS A 16 30.600 21.662 19.444 1.00 0.00 H new ATOM 0 HB2 CYS A 16 29.962 23.983 19.527 1.00 0.00 H new ATOM 0 HB3 CYS A 16 30.675 23.563 21.073 1.00 0.00 H new ATOM 246 N LEU A 17 30.743 22.376 17.064 1.00 0.00 N ATOM 247 CA LEU A 17 30.863 22.342 15.597 1.00 0.00 C ATOM 248 C LEU A 17 31.312 23.692 15.001 1.00 0.00 C ATOM 249 O LEU A 17 32.190 23.709 14.135 1.00 0.00 O ATOM 250 CB LEU A 17 29.495 21.911 15.022 1.00 0.00 C ATOM 251 CG LEU A 17 29.504 21.511 13.534 1.00 0.00 C ATOM 252 CD1 LEU A 17 30.039 20.090 13.358 1.00 0.00 C ATOM 253 CD2 LEU A 17 28.088 21.539 12.960 1.00 0.00 C ATOM 0 H LEU A 17 29.778 22.285 17.381 1.00 0.00 H new ATOM 0 HA LEU A 17 31.641 21.629 15.323 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.123 21.069 15.606 1.00 0.00 H new ATOM 0 HB3 LEU A 17 28.788 22.730 15.157 1.00 0.00 H new ATOM 0 HG LEU A 17 30.142 22.225 13.014 1.00 0.00 H new ATOM 0 HD11 LEU A 17 30.036 19.829 12.300 1.00 0.00 H new ATOM 0 HD12 LEU A 17 31.057 20.034 13.743 1.00 0.00 H new ATOM 0 HD13 LEU A 17 29.405 19.392 13.906 1.00 0.00 H new ATOM 0 HD21 LEU A 17 28.116 21.254 11.908 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.459 20.839 13.509 1.00 0.00 H new ATOM 0 HD23 LEU A 17 27.678 22.545 13.052 1.00 0.00 H new ATOM 265 N LYS A 18 30.719 24.795 15.486 1.00 0.00 N ATOM 266 CA LYS A 18 30.985 26.199 15.115 1.00 0.00 C ATOM 267 C LYS A 18 31.008 27.110 16.353 1.00 0.00 C ATOM 268 O LYS A 18 30.402 26.786 17.377 1.00 0.00 O ATOM 269 CB LYS A 18 29.883 26.713 14.166 1.00 0.00 C ATOM 270 CG LYS A 18 29.757 26.005 12.809 1.00 0.00 C ATOM 271 CD LYS A 18 30.967 26.204 11.886 1.00 0.00 C ATOM 272 CE LYS A 18 30.591 25.688 10.494 1.00 0.00 C ATOM 273 NZ LYS A 18 31.690 25.842 9.519 1.00 0.00 N ATOM 0 H LYS A 18 29.991 24.727 16.197 1.00 0.00 H new ATOM 0 HA LYS A 18 31.959 26.227 14.626 1.00 0.00 H new ATOM 0 HB2 LYS A 18 28.926 26.634 14.681 1.00 0.00 H new ATOM 0 HB3 LYS A 18 30.059 27.773 13.982 1.00 0.00 H new ATOM 0 HG2 LYS A 18 29.615 24.938 12.979 1.00 0.00 H new ATOM 0 HG3 LYS A 18 28.863 26.369 12.303 1.00 0.00 H new ATOM 0 HD2 LYS A 18 31.242 27.258 11.840 1.00 0.00 H new ATOM 0 HD3 LYS A 18 31.833 25.665 12.271 1.00 0.00 H new ATOM 0 HE2 LYS A 18 30.315 24.636 10.562 1.00 0.00 H new ATOM 0 HE3 LYS A 18 29.713 26.226 10.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 31.386 25.478 8.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 31.938 26.848 9.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 32.521 25.308 9.845 1.00 0.00 H new ATOM 287 N LEU A 19 31.595 28.302 16.228 1.00 0.00 N ATOM 288 CA LEU A 19 31.416 29.421 17.171 1.00 0.00 C ATOM 289 C LEU A 19 30.294 30.379 16.707 1.00 0.00 C ATOM 290 O LEU A 19 29.783 30.251 15.592 1.00 0.00 O ATOM 291 CB LEU A 19 32.772 30.125 17.385 1.00 0.00 C ATOM 292 CG LEU A 19 33.859 29.248 18.040 1.00 0.00 C ATOM 293 CD1 LEU A 19 35.164 30.037 18.146 1.00 0.00 C ATOM 294 CD2 LEU A 19 33.475 28.782 19.448 1.00 0.00 C ATOM 0 H LEU A 19 32.222 28.526 15.455 1.00 0.00 H new ATOM 0 HA LEU A 19 31.085 29.039 18.137 1.00 0.00 H new ATOM 0 HB2 LEU A 19 33.140 30.475 16.421 1.00 0.00 H new ATOM 0 HB3 LEU A 19 32.614 31.007 18.005 1.00 0.00 H new ATOM 0 HG LEU A 19 33.973 28.369 17.405 1.00 0.00 H new ATOM 0 HD11 LEU A 19 35.929 29.414 18.609 1.00 0.00 H new ATOM 0 HD12 LEU A 19 35.492 30.334 17.150 1.00 0.00 H new ATOM 0 HD13 LEU A 19 35.003 30.927 18.755 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.277 28.169 19.860 1.00 0.00 H new ATOM 0 HD22 LEU A 19 33.317 29.650 20.088 1.00 0.00 H new ATOM 0 HD23 LEU A 19 32.558 28.195 19.399 1.00 0.00 H new ATOM 306 N GLY A 20 29.875 31.320 17.562 1.00 0.00 N ATOM 307 CA GLY A 20 28.830 32.327 17.281 1.00 0.00 C ATOM 308 C GLY A 20 27.384 31.798 17.340 1.00 0.00 C ATOM 309 O GLY A 20 26.517 32.406 17.976 1.00 0.00 O ATOM 0 H GLY A 20 30.263 31.409 18.501 1.00 0.00 H new ATOM 0 HA2 GLY A 20 28.932 33.144 17.996 1.00 0.00 H new ATOM 0 HA3 GLY A 20 29.007 32.746 16.291 1.00 0.00 H new ATOM 313 N ASP A 21 27.131 30.621 16.769 1.00 0.00 N ATOM 314 CA ASP A 21 25.924 29.820 17.016 1.00 0.00 C ATOM 315 C ASP A 21 25.920 29.283 18.462 1.00 0.00 C ATOM 316 O ASP A 21 26.985 28.932 18.986 1.00 0.00 O ATOM 317 CB ASP A 21 25.878 28.674 15.989 1.00 0.00 C ATOM 318 CG ASP A 21 24.573 27.877 16.050 1.00 0.00 C ATOM 319 OD1 ASP A 21 24.425 27.027 16.954 1.00 0.00 O ATOM 320 OD2 ASP A 21 23.688 28.102 15.190 1.00 0.00 O ATOM 0 H ASP A 21 27.772 30.184 16.106 1.00 0.00 H new ATOM 0 HA ASP A 21 25.034 30.438 16.901 1.00 0.00 H new ATOM 0 HB2 ASP A 21 26.001 29.085 14.987 1.00 0.00 H new ATOM 0 HB3 ASP A 21 26.718 28.002 16.163 1.00 0.00 H new ATOM 325 N ASN A 22 24.754 29.203 19.114 1.00 0.00 N ATOM 326 CA ASN A 22 24.617 28.637 20.470 1.00 0.00 C ATOM 327 C ASN A 22 23.484 27.615 20.659 1.00 0.00 C ATOM 328 O ASN A 22 23.225 27.173 21.779 1.00 0.00 O ATOM 329 CB ASN A 22 24.550 29.760 21.518 1.00 0.00 C ATOM 330 CG ASN A 22 23.219 30.496 21.552 1.00 0.00 C ATOM 331 OD1 ASN A 22 22.617 30.806 20.530 1.00 0.00 O ATOM 332 ND2 ASN A 22 22.725 30.818 22.720 1.00 0.00 N ATOM 0 H ASN A 22 23.873 29.529 18.718 1.00 0.00 H new ATOM 0 HA ASN A 22 25.521 28.047 20.620 1.00 0.00 H new ATOM 0 HB2 ASN A 22 24.744 29.336 22.503 1.00 0.00 H new ATOM 0 HB3 ASN A 22 25.345 30.478 21.318 1.00 0.00 H new ATOM 0 HD21 ASN A 22 21.842 31.325 22.778 1.00 0.00 H new ATOM 0 HD22 ASN A 22 23.223 30.562 23.573 1.00 0.00 H new ATOM 339 N ASP A 23 22.841 27.204 19.574 1.00 0.00 N ATOM 340 CA ASP A 23 21.676 26.313 19.579 1.00 0.00 C ATOM 341 C ASP A 23 21.982 24.892 20.111 1.00 0.00 C ATOM 342 O ASP A 23 21.084 24.230 20.641 1.00 0.00 O ATOM 343 CB ASP A 23 21.111 26.292 18.153 1.00 0.00 C ATOM 344 CG ASP A 23 19.869 25.420 18.046 1.00 0.00 C ATOM 345 OD1 ASP A 23 18.767 25.896 18.403 1.00 0.00 O ATOM 346 OD2 ASP A 23 19.994 24.233 17.661 1.00 0.00 O ATOM 0 H ASP A 23 23.120 27.487 18.635 1.00 0.00 H new ATOM 0 HA ASP A 23 20.935 26.698 20.279 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.868 27.309 17.844 1.00 0.00 H new ATOM 0 HB3 ASP A 23 21.873 25.924 17.466 1.00 0.00 H new ATOM 351 N TYR A 24 23.243 24.450 20.033 1.00 0.00 N ATOM 352 CA TYR A 24 23.757 23.185 20.573 1.00 0.00 C ATOM 353 C TYR A 24 24.035 23.260 22.084 1.00 0.00 C ATOM 354 O TYR A 24 23.763 22.304 22.807 1.00 0.00 O ATOM 355 CB TYR A 24 25.034 22.827 19.794 1.00 0.00 C ATOM 356 CG TYR A 24 25.825 21.638 20.298 1.00 0.00 C ATOM 357 CD1 TYR A 24 26.866 21.834 21.226 1.00 0.00 C ATOM 358 CD2 TYR A 24 25.579 20.354 19.781 1.00 0.00 C ATOM 359 CE1 TYR A 24 27.647 20.746 21.656 1.00 0.00 C ATOM 360 CE2 TYR A 24 26.352 19.262 20.215 1.00 0.00 C ATOM 361 CZ TYR A 24 27.383 19.452 21.161 1.00 0.00 C ATOM 362 OH TYR A 24 28.141 18.403 21.576 1.00 0.00 O ATOM 0 H TYR A 24 23.970 24.993 19.567 1.00 0.00 H new ATOM 0 HA TYR A 24 23.001 22.410 20.449 1.00 0.00 H new ATOM 0 HB2 TYR A 24 24.758 22.638 18.757 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.690 23.698 19.796 1.00 0.00 H new ATOM 0 HD1 TYR A 24 27.066 22.824 21.609 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.797 20.206 19.051 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.448 20.901 22.364 1.00 0.00 H new ATOM 0 HE2 TYR A 24 26.156 18.275 19.823 1.00 0.00 H new ATOM 0 HH TYR A 24 27.829 17.582 21.142 1.00 0.00 H new ATOM 372 N CYS A 25 24.532 24.399 22.583 1.00 0.00 N ATOM 373 CA CYS A 25 24.793 24.589 24.016 1.00 0.00 C ATOM 374 C CYS A 25 23.510 24.904 24.800 1.00 0.00 C ATOM 375 O CYS A 25 23.290 24.352 25.880 1.00 0.00 O ATOM 376 CB CYS A 25 25.835 25.701 24.225 1.00 0.00 C ATOM 377 SG CYS A 25 27.487 25.390 23.541 1.00 0.00 S ATOM 0 H CYS A 25 24.763 25.210 22.009 1.00 0.00 H new ATOM 0 HA CYS A 25 25.188 23.650 24.403 1.00 0.00 H new ATOM 0 HB2 CYS A 25 25.449 26.620 23.784 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.935 25.880 25.296 1.00 0.00 H new ATOM 382 N LEU A 26 22.643 25.767 24.259 1.00 0.00 N ATOM 383 CA LEU A 26 21.457 26.289 24.947 1.00 0.00 C ATOM 384 C LEU A 26 20.494 25.172 25.389 1.00 0.00 C ATOM 385 O LEU A 26 20.028 25.168 26.531 1.00 0.00 O ATOM 386 CB LEU A 26 20.784 27.303 23.999 1.00 0.00 C ATOM 387 CG LEU A 26 19.642 28.121 24.626 1.00 0.00 C ATOM 388 CD1 LEU A 26 20.151 29.002 25.768 1.00 0.00 C ATOM 389 CD2 LEU A 26 19.019 29.030 23.566 1.00 0.00 C ATOM 0 H LEU A 26 22.748 26.129 23.311 1.00 0.00 H new ATOM 0 HA LEU A 26 21.752 26.782 25.873 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.544 27.992 23.630 1.00 0.00 H new ATOM 0 HB3 LEU A 26 20.394 26.766 23.135 1.00 0.00 H new ATOM 0 HG LEU A 26 18.907 27.417 25.016 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.320 29.567 26.190 1.00 0.00 H new ATOM 0 HD12 LEU A 26 20.593 28.375 26.542 1.00 0.00 H new ATOM 0 HD13 LEU A 26 20.903 29.693 25.387 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.210 29.608 24.013 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.778 29.708 23.177 1.00 0.00 H new ATOM 0 HD23 LEU A 26 18.624 28.422 22.752 1.00 0.00 H new ATOM 401 N ARG A 27 20.281 24.178 24.513 1.00 0.00 N ATOM 402 CA ARG A 27 19.441 22.993 24.766 1.00 0.00 C ATOM 403 C ARG A 27 19.935 22.103 25.910 1.00 0.00 C ATOM 404 O ARG A 27 19.124 21.427 26.543 1.00 0.00 O ATOM 405 CB ARG A 27 19.265 22.185 23.463 1.00 0.00 C ATOM 406 CG ARG A 27 20.590 21.639 22.893 1.00 0.00 C ATOM 407 CD ARG A 27 20.402 20.771 21.645 1.00 0.00 C ATOM 408 NE ARG A 27 19.933 21.550 20.483 1.00 0.00 N ATOM 409 CZ ARG A 27 18.909 21.261 19.700 1.00 0.00 C ATOM 410 NH1 ARG A 27 18.165 20.206 19.846 1.00 0.00 N ATOM 411 NH2 ARG A 27 18.586 22.038 18.715 1.00 0.00 N ATOM 0 H ARG A 27 20.699 24.175 23.583 1.00 0.00 H new ATOM 0 HA ARG A 27 18.473 23.367 25.100 1.00 0.00 H new ATOM 0 HB2 ARG A 27 18.589 21.351 23.651 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.790 22.818 22.714 1.00 0.00 H new ATOM 0 HG2 ARG A 27 21.245 22.476 22.650 1.00 0.00 H new ATOM 0 HG3 ARG A 27 21.094 21.053 23.662 1.00 0.00 H new ATOM 0 HD2 ARG A 27 21.347 20.287 21.397 1.00 0.00 H new ATOM 0 HD3 ARG A 27 19.685 19.979 21.861 1.00 0.00 H new ATOM 0 HE ARG A 27 20.453 22.399 20.261 1.00 0.00 H new ATOM 0 HH11 ARG A 27 18.359 19.546 20.599 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.387 20.038 19.208 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.125 22.885 18.536 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.793 21.802 18.118 1.00 0.00 H new ATOM 425 N GLU A 28 21.237 22.111 26.195 1.00 0.00 N ATOM 426 CA GLU A 28 21.852 21.350 27.289 1.00 0.00 C ATOM 427 C GLU A 28 21.888 22.181 28.582 1.00 0.00 C ATOM 428 O GLU A 28 21.487 21.693 29.638 1.00 0.00 O ATOM 429 CB GLU A 28 23.251 20.875 26.849 1.00 0.00 C ATOM 430 CG GLU A 28 23.768 19.657 27.633 1.00 0.00 C ATOM 431 CD GLU A 28 23.240 18.319 27.093 1.00 0.00 C ATOM 432 OE1 GLU A 28 22.021 18.179 26.830 1.00 0.00 O ATOM 433 OE2 GLU A 28 24.047 17.367 26.939 1.00 0.00 O ATOM 0 H GLU A 28 21.911 22.659 25.661 1.00 0.00 H new ATOM 0 HA GLU A 28 21.251 20.468 27.512 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.223 20.627 25.788 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.957 21.697 26.966 1.00 0.00 H new ATOM 0 HG2 GLU A 28 24.858 19.649 27.602 1.00 0.00 H new ATOM 0 HG3 GLU A 28 23.480 19.758 28.679 1.00 0.00 H new ATOM 440 N CYS A 29 22.259 23.468 28.494 1.00 0.00 N ATOM 441 CA CYS A 29 22.257 24.396 29.629 1.00 0.00 C ATOM 442 C CYS A 29 20.875 24.496 30.300 1.00 0.00 C ATOM 443 O CYS A 29 20.787 24.398 31.526 1.00 0.00 O ATOM 444 CB CYS A 29 22.724 25.785 29.164 1.00 0.00 C ATOM 445 SG CYS A 29 24.466 25.926 28.674 1.00 0.00 S ATOM 0 H CYS A 29 22.572 23.895 27.622 1.00 0.00 H new ATOM 0 HA CYS A 29 22.948 24.005 30.376 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.105 26.089 28.319 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.536 26.496 29.969 1.00 0.00 H new ATOM 450 N LYS A 30 19.791 24.631 29.516 1.00 0.00 N ATOM 451 CA LYS A 30 18.414 24.664 30.046 1.00 0.00 C ATOM 452 C LYS A 30 18.001 23.329 30.671 1.00 0.00 C ATOM 453 O LYS A 30 17.485 23.321 31.786 1.00 0.00 O ATOM 454 CB LYS A 30 17.418 25.095 28.953 1.00 0.00 C ATOM 455 CG LYS A 30 17.570 26.582 28.597 1.00 0.00 C ATOM 456 CD LYS A 30 16.507 27.035 27.583 1.00 0.00 C ATOM 457 CE LYS A 30 16.774 28.451 27.050 1.00 0.00 C ATOM 458 NZ LYS A 30 16.695 29.492 28.100 1.00 0.00 N ATOM 0 H LYS A 30 19.843 24.720 28.501 1.00 0.00 H new ATOM 0 HA LYS A 30 18.394 25.406 30.844 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.574 24.490 28.060 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.400 24.905 29.293 1.00 0.00 H new ATOM 0 HG2 LYS A 30 17.489 27.183 29.503 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.564 26.758 28.186 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.482 26.334 26.749 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.524 27.006 28.053 1.00 0.00 H new ATOM 0 HE2 LYS A 30 17.763 28.480 26.592 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.053 28.679 26.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 16.411 30.396 27.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.994 29.212 28.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 17.625 29.601 28.552 1.00 0.00 H new ATOM 472 N GLN A 31 18.283 22.205 30.008 1.00 0.00 N ATOM 473 CA GLN A 31 17.903 20.873 30.500 1.00 0.00 C ATOM 474 C GLN A 31 18.604 20.511 31.824 1.00 0.00 C ATOM 475 O GLN A 31 17.976 19.914 32.704 1.00 0.00 O ATOM 476 CB GLN A 31 18.193 19.833 29.404 1.00 0.00 C ATOM 477 CG GLN A 31 17.616 18.439 29.699 1.00 0.00 C ATOM 478 CD GLN A 31 16.092 18.434 29.720 1.00 0.00 C ATOM 479 OE1 GLN A 31 15.436 18.471 28.685 1.00 0.00 O ATOM 480 NE2 GLN A 31 15.458 18.397 30.869 1.00 0.00 N ATOM 0 H GLN A 31 18.780 22.189 29.117 1.00 0.00 H new ATOM 0 HA GLN A 31 16.836 20.879 30.723 1.00 0.00 H new ATOM 0 HB2 GLN A 31 17.785 20.192 28.459 1.00 0.00 H new ATOM 0 HB3 GLN A 31 19.272 19.749 29.273 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.969 17.736 28.945 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.991 18.089 30.661 1.00 0.00 H new ATOM 0 HE21 GLN A 31 15.985 18.366 31.742 1.00 0.00 H new ATOM 0 HE22 GLN A 31 14.438 18.399 30.889 1.00 0.00 H new ATOM 489 N GLN A 32 19.872 20.908 31.988 1.00 0.00 N ATOM 490 CA GLN A 32 20.658 20.652 33.196 1.00 0.00 C ATOM 491 C GLN A 32 20.323 21.628 34.336 1.00 0.00 C ATOM 492 O GLN A 32 19.912 21.182 35.412 1.00 0.00 O ATOM 493 CB GLN A 32 22.151 20.626 32.830 1.00 0.00 C ATOM 494 CG GLN A 32 23.056 20.227 34.014 1.00 0.00 C ATOM 495 CD GLN A 32 24.457 19.791 33.578 1.00 0.00 C ATOM 496 OE1 GLN A 32 24.670 19.272 32.489 1.00 0.00 O ATOM 497 NE2 GLN A 32 25.466 19.939 34.410 1.00 0.00 N ATOM 0 H GLN A 32 20.386 21.423 31.273 1.00 0.00 H new ATOM 0 HA GLN A 32 20.391 19.673 33.594 1.00 0.00 H new ATOM 0 HB2 GLN A 32 22.306 19.925 32.009 1.00 0.00 H new ATOM 0 HB3 GLN A 32 22.448 21.611 32.469 1.00 0.00 H new ATOM 0 HG2 GLN A 32 23.141 21.071 34.699 1.00 0.00 H new ATOM 0 HG3 GLN A 32 22.584 19.414 34.566 1.00 0.00 H new ATOM 0 HE21 GLN A 32 25.315 20.368 35.323 1.00 0.00 H new ATOM 0 HE22 GLN A 32 26.399 19.625 34.142 1.00 0.00 H new ATOM 506 N TYR A 33 20.458 22.942 34.119 1.00 0.00 N ATOM 507 CA TYR A 33 20.369 23.953 35.186 1.00 0.00 C ATOM 508 C TYR A 33 18.962 24.542 35.402 1.00 0.00 C ATOM 509 O TYR A 33 18.719 25.158 36.444 1.00 0.00 O ATOM 510 CB TYR A 33 21.392 25.067 34.913 1.00 0.00 C ATOM 511 CG TYR A 33 22.844 24.632 34.981 1.00 0.00 C ATOM 512 CD1 TYR A 33 23.431 24.353 36.231 1.00 0.00 C ATOM 513 CD2 TYR A 33 23.615 24.532 33.806 1.00 0.00 C ATOM 514 CE1 TYR A 33 24.783 23.968 36.306 1.00 0.00 C ATOM 515 CE2 TYR A 33 24.969 24.146 33.881 1.00 0.00 C ATOM 516 CZ TYR A 33 25.554 23.852 35.130 1.00 0.00 C ATOM 517 OH TYR A 33 26.854 23.459 35.199 1.00 0.00 O ATOM 0 H TYR A 33 20.633 23.338 33.195 1.00 0.00 H new ATOM 0 HA TYR A 33 20.598 23.438 36.119 1.00 0.00 H new ATOM 0 HB2 TYR A 33 21.199 25.483 33.924 1.00 0.00 H new ATOM 0 HB3 TYR A 33 21.234 25.870 35.633 1.00 0.00 H new ATOM 0 HD1 TYR A 33 22.843 24.435 37.133 1.00 0.00 H new ATOM 0 HD2 TYR A 33 23.169 24.751 32.847 1.00 0.00 H new ATOM 0 HE1 TYR A 33 25.231 23.761 37.266 1.00 0.00 H new ATOM 0 HE2 TYR A 33 25.560 24.075 32.980 1.00 0.00 H new ATOM 0 HH TYR A 33 27.159 23.498 36.130 1.00 0.00 H new ATOM 527 N GLY A 34 18.035 24.350 34.457 1.00 0.00 N ATOM 528 CA GLY A 34 16.665 24.881 34.467 1.00 0.00 C ATOM 529 C GLY A 34 16.418 25.928 33.371 1.00 0.00 C ATOM 530 O GLY A 34 17.352 26.606 32.924 1.00 0.00 O ATOM 0 H GLY A 34 18.228 23.794 33.624 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.962 24.058 34.340 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.462 25.327 35.440 1.00 0.00 H new ATOM 534 N LYS A 35 15.155 26.062 32.938 1.00 0.00 N ATOM 535 CA LYS A 35 14.722 26.838 31.753 1.00 0.00 C ATOM 536 C LYS A 35 15.208 28.291 31.670 1.00 0.00 C ATOM 537 O LYS A 35 15.432 28.775 30.561 1.00 0.00 O ATOM 538 CB LYS A 35 13.185 26.795 31.629 1.00 0.00 C ATOM 539 CG LYS A 35 12.431 27.315 32.871 1.00 0.00 C ATOM 540 CD LYS A 35 10.919 27.462 32.654 1.00 0.00 C ATOM 541 CE LYS A 35 10.250 26.154 32.220 1.00 0.00 C ATOM 542 NZ LYS A 35 8.777 26.281 32.199 1.00 0.00 N ATOM 0 H LYS A 35 14.373 25.618 33.419 1.00 0.00 H new ATOM 0 HA LYS A 35 15.210 26.340 30.915 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.886 27.386 30.763 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.877 25.768 31.436 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.606 26.634 33.704 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.844 28.282 33.158 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.457 27.812 33.577 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.738 28.225 31.897 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.606 25.873 31.229 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.538 25.353 32.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.355 25.378 31.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.436 26.525 33.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.503 27.029 31.530 1.00 0.00 H new ATOM 556 N SER A 36 15.409 28.973 32.800 1.00 0.00 N ATOM 557 CA SER A 36 15.874 30.373 32.827 1.00 0.00 C ATOM 558 C SER A 36 17.338 30.548 32.390 1.00 0.00 C ATOM 559 O SER A 36 17.755 31.664 32.078 1.00 0.00 O ATOM 560 CB SER A 36 15.632 30.998 34.208 1.00 0.00 C ATOM 561 OG SER A 36 16.330 30.310 35.232 1.00 0.00 O ATOM 0 H SER A 36 15.255 28.575 33.726 1.00 0.00 H new ATOM 0 HA SER A 36 15.279 30.905 32.085 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.946 32.042 34.194 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.564 30.989 34.428 1.00 0.00 H new ATOM 0 HG SER A 36 16.152 30.739 36.095 1.00 0.00 H new ATOM 567 N SER A 37 18.112 29.462 32.319 1.00 0.00 N ATOM 568 CA SER A 37 19.536 29.469 31.949 1.00 0.00 C ATOM 569 C SER A 37 19.760 29.761 30.461 1.00 0.00 C ATOM 570 O SER A 37 19.016 29.264 29.614 1.00 0.00 O ATOM 571 CB SER A 37 20.203 28.132 32.295 1.00 0.00 C ATOM 572 OG SER A 37 19.772 27.661 33.560 1.00 0.00 O ATOM 0 H SER A 37 17.759 28.527 32.522 1.00 0.00 H new ATOM 0 HA SER A 37 19.990 30.273 32.528 1.00 0.00 H new ATOM 0 HB2 SER A 37 19.966 27.394 31.528 1.00 0.00 H new ATOM 0 HB3 SER A 37 21.286 28.252 32.298 1.00 0.00 H new ATOM 0 HG SER A 37 18.951 27.137 33.452 1.00 0.00 H new ATOM 578 N GLY A 38 20.810 30.513 30.134 1.00 0.00 N ATOM 579 CA GLY A 38 21.339 30.676 28.775 1.00 0.00 C ATOM 580 C GLY A 38 22.624 29.863 28.548 1.00 0.00 C ATOM 581 O GLY A 38 23.019 29.060 29.398 1.00 0.00 O ATOM 0 H GLY A 38 21.335 31.044 30.829 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.583 30.366 28.054 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.542 31.731 28.590 1.00 0.00 H new ATOM 585 N GLY A 39 23.306 30.078 27.419 1.00 0.00 N ATOM 586 CA GLY A 39 24.637 29.506 27.173 1.00 0.00 C ATOM 587 C GLY A 39 25.198 29.735 25.767 1.00 0.00 C ATOM 588 O GLY A 39 24.466 30.106 24.852 1.00 0.00 O ATOM 0 H GLY A 39 22.955 30.651 26.652 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.335 29.926 27.897 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.593 28.433 27.358 1.00 0.00 H new ATOM 592 N TYR A 40 26.505 29.508 25.600 1.00 0.00 N ATOM 593 CA TYR A 40 27.273 29.685 24.357 1.00 0.00 C ATOM 594 C TYR A 40 28.525 28.780 24.321 1.00 0.00 C ATOM 595 O TYR A 40 28.917 28.226 25.347 1.00 0.00 O ATOM 596 CB TYR A 40 27.632 31.174 24.183 1.00 0.00 C ATOM 597 CG TYR A 40 28.552 31.793 25.225 1.00 0.00 C ATOM 598 CD1 TYR A 40 28.019 32.358 26.403 1.00 0.00 C ATOM 599 CD2 TYR A 40 29.934 31.898 24.969 1.00 0.00 C ATOM 600 CE1 TYR A 40 28.860 33.033 27.311 1.00 0.00 C ATOM 601 CE2 TYR A 40 30.778 32.567 25.877 1.00 0.00 C ATOM 602 CZ TYR A 40 30.242 33.144 27.048 1.00 0.00 C ATOM 603 OH TYR A 40 31.044 33.857 27.884 1.00 0.00 O ATOM 0 H TYR A 40 27.090 29.178 26.368 1.00 0.00 H new ATOM 0 HA TYR A 40 26.653 29.376 23.515 1.00 0.00 H new ATOM 0 HB2 TYR A 40 28.098 31.297 23.205 1.00 0.00 H new ATOM 0 HB3 TYR A 40 26.704 31.746 24.169 1.00 0.00 H new ATOM 0 HD1 TYR A 40 26.962 32.273 26.610 1.00 0.00 H new ATOM 0 HD2 TYR A 40 30.348 31.463 24.071 1.00 0.00 H new ATOM 0 HE1 TYR A 40 28.446 33.466 28.210 1.00 0.00 H new ATOM 0 HE2 TYR A 40 31.837 32.638 25.677 1.00 0.00 H new ATOM 0 HH TYR A 40 31.967 33.829 27.555 1.00 0.00 H new ATOM 613 N CYS A 41 29.164 28.604 23.158 1.00 0.00 N ATOM 614 CA CYS A 41 30.453 27.897 23.068 1.00 0.00 C ATOM 615 C CYS A 41 31.606 28.884 23.320 1.00 0.00 C ATOM 616 O CYS A 41 31.732 29.880 22.606 1.00 0.00 O ATOM 617 CB CYS A 41 30.583 27.155 21.731 1.00 0.00 C ATOM 618 SG CYS A 41 32.008 26.030 21.715 1.00 0.00 S ATOM 0 H CYS A 41 28.811 28.941 22.263 1.00 0.00 H new ATOM 0 HA CYS A 41 30.502 27.132 23.843 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.671 26.589 21.540 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.683 27.879 20.922 1.00 0.00 H new ATOM 623 N TYR A 42 32.422 28.640 24.350 1.00 0.00 N ATOM 624 CA TYR A 42 33.318 29.655 24.932 1.00 0.00 C ATOM 625 C TYR A 42 34.585 29.915 24.100 1.00 0.00 C ATOM 626 O TYR A 42 35.009 31.059 23.925 1.00 0.00 O ATOM 627 CB TYR A 42 33.668 29.201 26.355 1.00 0.00 C ATOM 628 CG TYR A 42 34.334 30.256 27.216 1.00 0.00 C ATOM 629 CD1 TYR A 42 35.734 30.401 27.206 1.00 0.00 C ATOM 630 CD2 TYR A 42 33.550 31.075 28.051 1.00 0.00 C ATOM 631 CE1 TYR A 42 36.352 31.351 28.043 1.00 0.00 C ATOM 632 CE2 TYR A 42 34.165 32.008 28.907 1.00 0.00 C ATOM 633 CZ TYR A 42 35.570 32.142 28.913 1.00 0.00 C ATOM 634 OH TYR A 42 36.176 33.022 29.756 1.00 0.00 O ATOM 0 H TYR A 42 32.483 27.731 24.808 1.00 0.00 H new ATOM 0 HA TYR A 42 32.797 30.612 24.942 1.00 0.00 H new ATOM 0 HB2 TYR A 42 32.755 28.872 26.851 1.00 0.00 H new ATOM 0 HB3 TYR A 42 34.327 28.335 26.293 1.00 0.00 H new ATOM 0 HD1 TYR A 42 36.335 29.783 26.556 1.00 0.00 H new ATOM 0 HD2 TYR A 42 32.474 30.987 28.035 1.00 0.00 H new ATOM 0 HE1 TYR A 42 37.425 31.474 28.019 1.00 0.00 H new ATOM 0 HE2 TYR A 42 33.561 32.622 29.559 1.00 0.00 H new ATOM 0 HH TYR A 42 35.496 33.488 30.286 1.00 0.00 H new ATOM 644 N ALA A 43 35.177 28.837 23.585 1.00 0.00 N ATOM 645 CA ALA A 43 36.280 28.835 22.617 1.00 0.00 C ATOM 646 C ALA A 43 36.360 27.483 21.878 1.00 0.00 C ATOM 647 O ALA A 43 36.716 27.422 20.696 1.00 0.00 O ATOM 648 CB ALA A 43 37.594 29.111 23.362 1.00 0.00 C ATOM 0 H ALA A 43 34.888 27.894 23.843 1.00 0.00 H new ATOM 0 HA ALA A 43 36.106 29.612 21.873 1.00 0.00 H new ATOM 0 HB1 ALA A 43 38.421 29.112 22.652 1.00 0.00 H new ATOM 0 HB2 ALA A 43 37.536 30.082 23.854 1.00 0.00 H new ATOM 0 HB3 ALA A 43 37.758 28.335 24.110 1.00 0.00 H new ATOM 654 N PHE A 44 36.014 26.391 22.567 1.00 0.00 N ATOM 655 CA PHE A 44 35.961 25.037 22.008 1.00 0.00 C ATOM 656 C PHE A 44 34.836 24.158 22.583 1.00 0.00 C ATOM 657 O PHE A 44 34.359 23.296 21.854 1.00 0.00 O ATOM 658 CB PHE A 44 37.340 24.364 22.136 1.00 0.00 C ATOM 659 CG PHE A 44 38.131 24.640 23.408 1.00 0.00 C ATOM 660 CD1 PHE A 44 37.993 23.814 24.541 1.00 0.00 C ATOM 661 CD2 PHE A 44 39.027 25.727 23.451 1.00 0.00 C ATOM 662 CE1 PHE A 44 38.739 24.088 25.703 1.00 0.00 C ATOM 663 CE2 PHE A 44 39.760 26.006 24.619 1.00 0.00 C ATOM 664 CZ PHE A 44 39.615 25.184 25.748 1.00 0.00 C ATOM 0 H PHE A 44 35.757 26.425 23.553 1.00 0.00 H new ATOM 0 HA PHE A 44 35.708 25.143 20.953 1.00 0.00 H new ATOM 0 HB2 PHE A 44 37.200 23.286 22.052 1.00 0.00 H new ATOM 0 HB3 PHE A 44 37.948 24.674 21.286 1.00 0.00 H new ATOM 0 HD1 PHE A 44 37.316 22.973 24.518 1.00 0.00 H new ATOM 0 HD2 PHE A 44 39.152 26.352 22.579 1.00 0.00 H new ATOM 0 HE1 PHE A 44 38.636 23.449 26.568 1.00 0.00 H new ATOM 0 HE2 PHE A 44 40.433 26.850 24.647 1.00 0.00 H new ATOM 0 HZ PHE A 44 40.175 25.394 26.647 1.00 0.00 H new ATOM 674 N ALA A 45 34.351 24.376 23.812 1.00 0.00 N ATOM 675 CA ALA A 45 33.191 23.666 24.380 1.00 0.00 C ATOM 676 C ALA A 45 32.226 24.608 25.139 1.00 0.00 C ATOM 677 O ALA A 45 32.473 25.814 25.256 1.00 0.00 O ATOM 678 CB ALA A 45 33.693 22.496 25.238 1.00 0.00 C ATOM 0 H ALA A 45 34.757 25.060 24.451 1.00 0.00 H new ATOM 0 HA ALA A 45 32.589 23.263 23.565 1.00 0.00 H new ATOM 0 HB1 ALA A 45 32.841 21.965 25.663 1.00 0.00 H new ATOM 0 HB2 ALA A 45 34.274 21.813 24.618 1.00 0.00 H new ATOM 0 HB3 ALA A 45 34.320 22.878 26.043 1.00 0.00 H new ATOM 684 N CYS A 46 31.084 24.077 25.595 1.00 0.00 N ATOM 685 CA CYS A 46 29.964 24.883 26.092 1.00 0.00 C ATOM 686 C CYS A 46 30.152 25.523 27.492 1.00 0.00 C ATOM 687 O CYS A 46 30.711 24.938 28.424 1.00 0.00 O ATOM 688 CB CYS A 46 28.692 24.031 26.038 1.00 0.00 C ATOM 689 SG CYS A 46 28.075 23.623 24.378 1.00 0.00 S ATOM 0 H CYS A 46 30.911 23.072 25.629 1.00 0.00 H new ATOM 0 HA CYS A 46 29.896 25.748 25.432 1.00 0.00 H new ATOM 0 HB2 CYS A 46 28.879 23.100 26.573 1.00 0.00 H new ATOM 0 HB3 CYS A 46 27.904 24.556 26.578 1.00 0.00 H new ATOM 694 N TRP A 47 29.577 26.717 27.650 1.00 0.00 N ATOM 695 CA TRP A 47 29.479 27.545 28.861 1.00 0.00 C ATOM 696 C TRP A 47 28.021 28.001 29.039 1.00 0.00 C ATOM 697 O TRP A 47 27.333 28.256 28.050 1.00 0.00 O ATOM 698 CB TRP A 47 30.449 28.728 28.691 1.00 0.00 C ATOM 699 CG TRP A 47 30.419 29.848 29.691 1.00 0.00 C ATOM 700 CD1 TRP A 47 29.471 30.811 29.744 1.00 0.00 C ATOM 701 CD2 TRP A 47 31.423 30.234 30.686 1.00 0.00 C ATOM 702 NE1 TRP A 47 29.809 31.753 30.695 1.00 0.00 N ATOM 703 CE2 TRP A 47 31.007 31.454 31.302 1.00 0.00 C ATOM 704 CE3 TRP A 47 32.668 29.709 31.103 1.00 0.00 C ATOM 705 CZ2 TRP A 47 31.771 32.108 32.280 1.00 0.00 C ATOM 706 CZ3 TRP A 47 33.436 30.345 32.097 1.00 0.00 C ATOM 707 CH2 TRP A 47 32.990 31.540 32.686 1.00 0.00 C ATOM 0 H TRP A 47 29.124 27.175 26.859 1.00 0.00 H new ATOM 0 HA TRP A 47 29.755 26.994 29.760 1.00 0.00 H new ATOM 0 HB2 TRP A 47 31.461 28.324 28.681 1.00 0.00 H new ATOM 0 HB3 TRP A 47 30.269 29.161 27.707 1.00 0.00 H new ATOM 0 HD1 TRP A 47 28.581 30.839 29.133 1.00 0.00 H new ATOM 0 HE1 TRP A 47 29.241 32.570 30.920 1.00 0.00 H new ATOM 0 HE3 TRP A 47 33.038 28.801 30.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 31.427 33.035 32.715 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 34.375 29.911 32.409 1.00 0.00 H new ATOM 0 HH2 TRP A 47 33.583 32.021 33.450 1.00 0.00 H new ATOM 718 N CYS A 48 27.537 28.102 30.278 1.00 0.00 N ATOM 719 CA CYS A 48 26.140 28.418 30.598 1.00 0.00 C ATOM 720 C CYS A 48 26.008 29.713 31.422 1.00 0.00 C ATOM 721 O CYS A 48 26.898 30.082 32.194 1.00 0.00 O ATOM 722 CB CYS A 48 25.475 27.223 31.293 1.00 0.00 C ATOM 723 SG CYS A 48 25.515 25.641 30.399 1.00 0.00 S ATOM 0 H CYS A 48 28.116 27.964 31.106 1.00 0.00 H new ATOM 0 HA CYS A 48 25.614 28.605 29.662 1.00 0.00 H new ATOM 0 HB2 CYS A 48 25.956 27.080 32.261 1.00 0.00 H new ATOM 0 HB3 CYS A 48 24.434 27.478 31.489 1.00 0.00 H new ATOM 728 N THR A 49 24.879 30.400 31.248 1.00 0.00 N ATOM 729 CA THR A 49 24.613 31.757 31.760 1.00 0.00 C ATOM 730 C THR A 49 23.258 31.853 32.474 1.00 0.00 C ATOM 731 O THR A 49 22.455 30.918 32.440 1.00 0.00 O ATOM 732 CB THR A 49 24.697 32.794 30.624 1.00 0.00 C ATOM 733 OG1 THR A 49 23.813 32.448 29.590 1.00 0.00 O ATOM 734 CG2 THR A 49 26.087 32.887 29.998 1.00 0.00 C ATOM 0 H THR A 49 24.090 30.017 30.727 1.00 0.00 H new ATOM 0 HA THR A 49 25.385 31.977 32.498 1.00 0.00 H new ATOM 0 HB THR A 49 24.445 33.751 31.080 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.872 33.113 28.873 1.00 0.00 H new ATOM 0 HG21 THR A 49 26.080 33.635 29.205 1.00 0.00 H new ATOM 0 HG22 THR A 49 26.811 33.174 30.761 1.00 0.00 H new ATOM 0 HG23 THR A 49 26.364 31.919 29.581 1.00 0.00 H new ATOM 742 N HIS A 50 23.001 32.974 33.156 1.00 0.00 N ATOM 743 CA HIS A 50 21.887 33.183 34.094 1.00 0.00 C ATOM 744 C HIS A 50 21.837 32.122 35.212 1.00 0.00 C ATOM 745 O HIS A 50 20.769 31.641 35.605 1.00 0.00 O ATOM 746 CB HIS A 50 20.570 33.401 33.330 1.00 0.00 C ATOM 747 CG HIS A 50 19.551 34.176 34.125 1.00 0.00 C ATOM 748 ND1 HIS A 50 19.567 35.563 34.305 1.00 0.00 N ATOM 749 CD2 HIS A 50 18.484 33.656 34.796 1.00 0.00 C ATOM 750 CE1 HIS A 50 18.525 35.841 35.108 1.00 0.00 C ATOM 751 NE2 HIS A 50 17.848 34.719 35.403 1.00 0.00 N ATOM 0 H HIS A 50 23.591 33.801 33.066 1.00 0.00 H new ATOM 0 HA HIS A 50 22.064 34.107 34.644 1.00 0.00 H new ATOM 0 HB2 HIS A 50 20.779 33.932 32.401 1.00 0.00 H new ATOM 0 HB3 HIS A 50 20.150 32.433 33.057 1.00 0.00 H new ATOM 0 HD2 HIS A 50 18.194 32.617 34.843 1.00 0.00 H new ATOM 0 HE1 HIS A 50 18.269 36.827 35.465 1.00 0.00 H new ATOM 0 HE2 HIS A 50 17.007 34.663 35.978 1.00 0.00 H new ATOM 759 N LEU A 51 23.011 31.725 35.717 1.00 0.00 N ATOM 760 CA LEU A 51 23.162 30.672 36.730 1.00 0.00 C ATOM 761 C LEU A 51 23.065 31.230 38.160 1.00 0.00 C ATOM 762 O LEU A 51 23.734 32.211 38.500 1.00 0.00 O ATOM 763 CB LEU A 51 24.493 29.931 36.522 1.00 0.00 C ATOM 764 CG LEU A 51 24.706 29.302 35.133 1.00 0.00 C ATOM 765 CD1 LEU A 51 26.039 28.557 35.145 1.00 0.00 C ATOM 766 CD2 LEU A 51 23.602 28.313 34.752 1.00 0.00 C ATOM 0 H LEU A 51 23.900 32.134 35.428 1.00 0.00 H new ATOM 0 HA LEU A 51 22.338 29.969 36.607 1.00 0.00 H new ATOM 0 HB2 LEU A 51 25.308 30.629 36.711 1.00 0.00 H new ATOM 0 HB3 LEU A 51 24.568 29.143 37.271 1.00 0.00 H new ATOM 0 HG LEU A 51 24.691 30.108 34.399 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.211 28.103 34.169 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.845 29.257 35.366 1.00 0.00 H new ATOM 0 HD13 LEU A 51 26.014 27.779 35.908 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.807 27.902 33.763 1.00 0.00 H new ATOM 0 HD22 LEU A 51 23.571 27.504 35.482 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.641 28.827 34.740 1.00 0.00 H new ATOM 778 N TYR A 52 22.249 30.602 39.009 1.00 0.00 N ATOM 779 CA TYR A 52 21.938 31.112 40.349 1.00 0.00 C ATOM 780 C TYR A 52 22.955 30.676 41.425 1.00 0.00 C ATOM 781 O TYR A 52 23.901 29.928 41.166 1.00 0.00 O ATOM 782 CB TYR A 52 20.482 30.758 40.688 1.00 0.00 C ATOM 783 CG TYR A 52 19.875 31.563 41.820 1.00 0.00 C ATOM 784 CD1 TYR A 52 19.517 32.907 41.608 1.00 0.00 C ATOM 785 CD2 TYR A 52 19.678 30.976 43.084 1.00 0.00 C ATOM 786 CE1 TYR A 52 18.936 33.654 42.650 1.00 0.00 C ATOM 787 CE2 TYR A 52 19.093 31.719 44.124 1.00 0.00 C ATOM 788 CZ TYR A 52 18.705 33.055 43.906 1.00 0.00 C ATOM 789 OH TYR A 52 18.094 33.748 44.897 1.00 0.00 O ATOM 0 H TYR A 52 21.783 29.722 38.787 1.00 0.00 H new ATOM 0 HA TYR A 52 22.035 32.198 40.343 1.00 0.00 H new ATOM 0 HB2 TYR A 52 19.872 30.898 39.795 1.00 0.00 H new ATOM 0 HB3 TYR A 52 20.432 29.700 40.946 1.00 0.00 H new ATOM 0 HD1 TYR A 52 19.688 33.366 40.645 1.00 0.00 H new ATOM 0 HD2 TYR A 52 19.977 29.952 43.255 1.00 0.00 H new ATOM 0 HE1 TYR A 52 18.667 34.687 42.488 1.00 0.00 H new ATOM 0 HE2 TYR A 52 18.941 31.264 45.092 1.00 0.00 H new ATOM 0 HH TYR A 52 18.015 33.181 45.692 1.00 0.00 H new ATOM 799 N GLU A 53 22.774 31.182 42.646 1.00 0.00 N ATOM 800 CA GLU A 53 23.729 31.205 43.769 1.00 0.00 C ATOM 801 C GLU A 53 24.122 29.823 44.352 1.00 0.00 C ATOM 802 O GLU A 53 24.952 29.767 45.268 1.00 0.00 O ATOM 803 CB GLU A 53 23.124 32.094 44.876 1.00 0.00 C ATOM 804 CG GLU A 53 22.881 33.563 44.478 1.00 0.00 C ATOM 805 CD GLU A 53 24.100 34.457 44.734 1.00 0.00 C ATOM 806 OE1 GLU A 53 25.102 34.374 43.984 1.00 0.00 O ATOM 807 OE2 GLU A 53 24.069 35.269 45.693 1.00 0.00 O ATOM 0 H GLU A 53 21.890 31.622 42.901 1.00 0.00 H new ATOM 0 HA GLU A 53 24.665 31.599 43.374 1.00 0.00 H new ATOM 0 HB2 GLU A 53 22.176 31.658 45.192 1.00 0.00 H new ATOM 0 HB3 GLU A 53 23.788 32.073 45.740 1.00 0.00 H new ATOM 0 HG2 GLU A 53 22.617 33.610 43.421 1.00 0.00 H new ATOM 0 HG3 GLU A 53 22.029 33.950 45.037 1.00 0.00 H new ATOM 814 N GLN A 54 23.561 28.713 43.852 1.00 0.00 N ATOM 815 CA GLN A 54 23.878 27.335 44.280 1.00 0.00 C ATOM 816 C GLN A 54 24.462 26.431 43.174 1.00 0.00 C ATOM 817 O GLN A 54 24.853 25.295 43.456 1.00 0.00 O ATOM 818 CB GLN A 54 22.645 26.698 44.954 1.00 0.00 C ATOM 819 CG GLN A 54 21.589 26.072 44.021 1.00 0.00 C ATOM 820 CD GLN A 54 20.814 27.065 43.166 1.00 0.00 C ATOM 821 OE1 GLN A 54 21.272 27.520 42.124 1.00 0.00 O ATOM 822 NE2 GLN A 54 19.616 27.425 43.563 1.00 0.00 N ATOM 0 H GLN A 54 22.854 28.745 43.118 1.00 0.00 H new ATOM 0 HA GLN A 54 24.687 27.419 45.005 1.00 0.00 H new ATOM 0 HB2 GLN A 54 22.994 25.925 45.639 1.00 0.00 H new ATOM 0 HB3 GLN A 54 22.155 27.462 45.558 1.00 0.00 H new ATOM 0 HG2 GLN A 54 22.085 25.359 43.363 1.00 0.00 H new ATOM 0 HG3 GLN A 54 20.881 25.507 44.627 1.00 0.00 H new ATOM 0 HE21 GLN A 54 19.231 27.049 44.429 1.00 0.00 H new ATOM 0 HE22 GLN A 54 19.070 28.081 43.005 1.00 0.00 H new ATOM 831 N ALA A 55 24.496 26.900 41.921 1.00 0.00 N ATOM 832 CA ALA A 55 24.791 26.071 40.752 1.00 0.00 C ATOM 833 C ALA A 55 26.247 25.564 40.707 1.00 0.00 C ATOM 834 O ALA A 55 27.190 26.282 41.064 1.00 0.00 O ATOM 835 CB ALA A 55 24.417 26.857 39.489 1.00 0.00 C ATOM 0 H ALA A 55 24.317 27.877 41.690 1.00 0.00 H new ATOM 0 HA ALA A 55 24.189 25.165 40.817 1.00 0.00 H new ATOM 0 HB1 ALA A 55 24.631 26.253 38.608 1.00 0.00 H new ATOM 0 HB2 ALA A 55 23.355 27.100 39.513 1.00 0.00 H new ATOM 0 HB3 ALA A 55 24.999 27.778 39.448 1.00 0.00 H new ATOM 841 N VAL A 56 26.433 24.330 40.225 1.00 0.00 N ATOM 842 CA VAL A 56 27.734 23.651 40.111 1.00 0.00 C ATOM 843 C VAL A 56 28.213 23.684 38.659 1.00 0.00 C ATOM 844 O VAL A 56 27.622 23.064 37.771 1.00 0.00 O ATOM 845 CB VAL A 56 27.673 22.211 40.665 1.00 0.00 C ATOM 846 CG1 VAL A 56 29.046 21.528 40.601 1.00 0.00 C ATOM 847 CG2 VAL A 56 27.224 22.193 42.133 1.00 0.00 C ATOM 0 H VAL A 56 25.659 23.756 39.892 1.00 0.00 H new ATOM 0 HA VAL A 56 28.461 24.187 40.722 1.00 0.00 H new ATOM 0 HB VAL A 56 26.954 21.678 40.043 1.00 0.00 H new ATOM 0 HG11 VAL A 56 28.968 20.516 40.999 1.00 0.00 H new ATOM 0 HG12 VAL A 56 29.384 21.486 39.565 1.00 0.00 H new ATOM 0 HG13 VAL A 56 29.763 22.096 41.194 1.00 0.00 H new ATOM 0 HG21 VAL A 56 27.192 21.164 42.491 1.00 0.00 H new ATOM 0 HG22 VAL A 56 27.929 22.765 42.736 1.00 0.00 H new ATOM 0 HG23 VAL A 56 26.232 22.637 42.216 1.00 0.00 H new ATOM 857 N VAL A 57 29.299 24.421 38.427 1.00 0.00 N ATOM 858 CA VAL A 57 29.998 24.570 37.137 1.00 0.00 C ATOM 859 C VAL A 57 31.410 23.995 37.228 1.00 0.00 C ATOM 860 O VAL A 57 31.931 23.785 38.327 1.00 0.00 O ATOM 861 CB VAL A 57 30.037 26.042 36.672 1.00 0.00 C ATOM 862 CG1 VAL A 57 28.626 26.538 36.341 1.00 0.00 C ATOM 863 CG2 VAL A 57 30.676 26.984 37.701 1.00 0.00 C ATOM 0 H VAL A 57 29.744 24.962 39.169 1.00 0.00 H new ATOM 0 HA VAL A 57 29.437 24.009 36.390 1.00 0.00 H new ATOM 0 HB VAL A 57 30.663 26.060 35.780 1.00 0.00 H new ATOM 0 HG11 VAL A 57 28.673 27.577 36.015 1.00 0.00 H new ATOM 0 HG12 VAL A 57 28.203 25.926 35.544 1.00 0.00 H new ATOM 0 HG13 VAL A 57 27.997 26.464 37.228 1.00 0.00 H new ATOM 0 HG21 VAL A 57 30.672 28.003 37.313 1.00 0.00 H new ATOM 0 HG22 VAL A 57 30.107 26.947 38.630 1.00 0.00 H new ATOM 0 HG23 VAL A 57 31.703 26.672 37.892 1.00 0.00 H new ATOM 873 N TRP A 58 32.037 23.739 36.081 1.00 0.00 N ATOM 874 CA TRP A 58 33.424 23.274 36.028 1.00 0.00 C ATOM 875 C TRP A 58 34.416 24.453 36.037 1.00 0.00 C ATOM 876 O TRP A 58 34.107 25.514 35.477 1.00 0.00 O ATOM 877 CB TRP A 58 33.629 22.339 34.821 1.00 0.00 C ATOM 878 CG TRP A 58 34.408 21.091 35.113 1.00 0.00 C ATOM 879 CD1 TRP A 58 34.145 20.234 36.127 1.00 0.00 C ATOM 880 CD2 TRP A 58 35.568 20.529 34.414 1.00 0.00 C ATOM 881 NE1 TRP A 58 35.059 19.204 36.119 1.00 0.00 N ATOM 882 CE2 TRP A 58 35.955 19.328 35.083 1.00 0.00 C ATOM 883 CE3 TRP A 58 36.329 20.898 33.282 1.00 0.00 C ATOM 884 CZ2 TRP A 58 37.037 18.541 34.661 1.00 0.00 C ATOM 885 CZ3 TRP A 58 37.404 20.104 32.834 1.00 0.00 C ATOM 886 CH2 TRP A 58 37.761 18.932 33.524 1.00 0.00 C ATOM 0 H TRP A 58 31.601 23.847 35.165 1.00 0.00 H new ATOM 0 HA TRP A 58 33.631 22.696 36.929 1.00 0.00 H new ATOM 0 HB2 TRP A 58 32.652 22.056 34.429 1.00 0.00 H new ATOM 0 HB3 TRP A 58 34.140 22.893 34.034 1.00 0.00 H new ATOM 0 HD1 TRP A 58 33.338 20.342 36.837 1.00 0.00 H new ATOM 0 HE1 TRP A 58 35.070 18.443 36.798 1.00 0.00 H new ATOM 0 HE3 TRP A 58 36.082 21.805 32.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 37.309 17.647 35.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 37.957 20.398 31.954 1.00 0.00 H new ATOM 0 HH2 TRP A 58 38.591 18.333 33.179 1.00 0.00 H new ATOM 897 N PRO A 59 35.614 24.300 36.633 1.00 0.00 N ATOM 898 CA PRO A 59 36.706 25.246 36.432 1.00 0.00 C ATOM 899 C PRO A 59 37.205 25.178 34.977 1.00 0.00 C ATOM 900 O PRO A 59 37.239 24.107 34.363 1.00 0.00 O ATOM 901 CB PRO A 59 37.771 24.854 37.458 1.00 0.00 C ATOM 902 CG PRO A 59 37.560 23.353 37.644 1.00 0.00 C ATOM 903 CD PRO A 59 36.051 23.191 37.473 1.00 0.00 C ATOM 0 HA PRO A 59 36.409 26.284 36.581 1.00 0.00 H new ATOM 0 HB2 PRO A 59 38.775 25.075 37.097 1.00 0.00 H new ATOM 0 HB3 PRO A 59 37.643 25.396 38.395 1.00 0.00 H new ATOM 0 HG2 PRO A 59 38.114 22.774 36.905 1.00 0.00 H new ATOM 0 HG3 PRO A 59 37.893 23.018 38.626 1.00 0.00 H new ATOM 0 HD2 PRO A 59 35.813 22.234 37.009 1.00 0.00 H new ATOM 0 HD3 PRO A 59 35.546 23.212 38.439 1.00 0.00 H new ATOM 911 N LEU A 60 37.591 26.320 34.411 1.00 0.00 N ATOM 912 CA LEU A 60 37.921 26.461 32.990 1.00 0.00 C ATOM 913 C LEU A 60 39.311 25.855 32.670 1.00 0.00 C ATOM 914 O LEU A 60 40.278 26.205 33.356 1.00 0.00 O ATOM 915 CB LEU A 60 37.840 27.961 32.639 1.00 0.00 C ATOM 916 CG LEU A 60 37.904 28.274 31.132 1.00 0.00 C ATOM 917 CD1 LEU A 60 36.620 27.873 30.402 1.00 0.00 C ATOM 918 CD2 LEU A 60 38.098 29.775 30.927 1.00 0.00 C ATOM 0 H LEU A 60 37.686 27.190 34.935 1.00 0.00 H new ATOM 0 HA LEU A 60 37.212 25.905 32.377 1.00 0.00 H new ATOM 0 HB2 LEU A 60 36.911 28.365 33.041 1.00 0.00 H new ATOM 0 HB3 LEU A 60 38.656 28.482 33.139 1.00 0.00 H new ATOM 0 HG LEU A 60 38.738 27.701 30.726 1.00 0.00 H new ATOM 0 HD11 LEU A 60 36.713 28.113 29.343 1.00 0.00 H new ATOM 0 HD12 LEU A 60 36.455 26.802 30.518 1.00 0.00 H new ATOM 0 HD13 LEU A 60 35.776 28.418 30.825 1.00 0.00 H new ATOM 0 HD21 LEU A 60 38.143 29.994 29.860 1.00 0.00 H new ATOM 0 HD22 LEU A 60 37.262 30.314 31.373 1.00 0.00 H new ATOM 0 HD23 LEU A 60 39.027 30.090 31.401 1.00 0.00 H new ATOM 930 N PRO A 61 39.452 24.984 31.650 1.00 0.00 N ATOM 931 CA PRO A 61 40.731 24.407 31.224 1.00 0.00 C ATOM 932 C PRO A 61 41.454 25.260 30.164 1.00 0.00 C ATOM 933 O PRO A 61 40.845 26.093 29.487 1.00 0.00 O ATOM 934 CB PRO A 61 40.367 23.024 30.681 1.00 0.00 C ATOM 935 CG PRO A 61 39.001 23.266 30.043 1.00 0.00 C ATOM 936 CD PRO A 61 38.364 24.330 30.936 1.00 0.00 C ATOM 0 HA PRO A 61 41.437 24.360 32.053 1.00 0.00 H new ATOM 0 HB2 PRO A 61 41.097 22.669 29.954 1.00 0.00 H new ATOM 0 HB3 PRO A 61 40.318 22.277 31.474 1.00 0.00 H new ATOM 0 HG2 PRO A 61 39.096 23.612 29.014 1.00 0.00 H new ATOM 0 HG3 PRO A 61 38.404 22.354 30.019 1.00 0.00 H new ATOM 0 HD2 PRO A 61 37.804 25.051 30.340 1.00 0.00 H new ATOM 0 HD3 PRO A 61 37.660 23.878 31.634 1.00 0.00 H new ATOM 944 N ASN A 62 42.761 25.039 29.982 1.00 0.00 N ATOM 945 CA ASN A 62 43.603 25.836 29.073 1.00 0.00 C ATOM 946 C ASN A 62 43.591 25.363 27.593 1.00 0.00 C ATOM 947 O ASN A 62 43.907 26.156 26.699 1.00 0.00 O ATOM 948 CB ASN A 62 45.025 25.882 29.673 1.00 0.00 C ATOM 949 CG ASN A 62 45.913 26.948 29.054 1.00 0.00 C ATOM 950 OD1 ASN A 62 45.482 28.050 28.733 1.00 0.00 O ATOM 951 ND2 ASN A 62 47.188 26.682 28.903 1.00 0.00 N ATOM 0 H ASN A 62 43.271 24.298 30.463 1.00 0.00 H new ATOM 0 HA ASN A 62 43.183 26.840 29.008 1.00 0.00 H new ATOM 0 HB2 ASN A 62 44.952 26.060 30.746 1.00 0.00 H new ATOM 0 HB3 ASN A 62 45.497 24.908 29.543 1.00 0.00 H new ATOM 0 HD21 ASN A 62 47.815 27.390 28.520 1.00 0.00 H new ATOM 0 HD22 ASN A 62 47.553 25.767 29.168 1.00 0.00 H new ATOM 958 N LYS A 63 43.223 24.098 27.326 1.00 0.00 N ATOM 959 CA LYS A 63 43.177 23.432 25.999 1.00 0.00 C ATOM 960 C LYS A 63 41.961 22.485 25.868 1.00 0.00 C ATOM 961 O LYS A 63 41.265 22.244 26.856 1.00 0.00 O ATOM 962 CB LYS A 63 44.473 22.615 25.797 1.00 0.00 C ATOM 963 CG LYS A 63 45.801 23.389 25.736 1.00 0.00 C ATOM 964 CD LYS A 63 45.967 24.278 24.497 1.00 0.00 C ATOM 965 CE LYS A 63 47.364 24.908 24.521 1.00 0.00 C ATOM 966 NZ LYS A 63 47.576 25.836 23.386 1.00 0.00 N ATOM 0 H LYS A 63 42.930 23.468 28.073 1.00 0.00 H new ATOM 0 HA LYS A 63 43.083 24.208 25.239 1.00 0.00 H new ATOM 0 HB2 LYS A 63 44.543 21.891 26.609 1.00 0.00 H new ATOM 0 HB3 LYS A 63 44.372 22.048 24.872 1.00 0.00 H new ATOM 0 HG2 LYS A 63 45.885 24.011 26.627 1.00 0.00 H new ATOM 0 HG3 LYS A 63 46.624 22.675 25.767 1.00 0.00 H new ATOM 0 HD2 LYS A 63 45.835 23.688 23.590 1.00 0.00 H new ATOM 0 HD3 LYS A 63 45.203 25.055 24.486 1.00 0.00 H new ATOM 0 HE2 LYS A 63 47.503 25.446 25.459 1.00 0.00 H new ATOM 0 HE3 LYS A 63 48.117 24.120 24.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 48.533 26.239 23.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 47.469 25.319 22.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 46.874 26.603 23.429 1.00 0.00 H new ATOM 980 N THR A 64 41.725 21.903 24.686 1.00 0.00 N ATOM 981 CA THR A 64 40.692 20.874 24.423 1.00 0.00 C ATOM 982 C THR A 64 40.940 19.550 25.165 1.00 0.00 C ATOM 983 O THR A 64 42.076 19.244 25.547 1.00 0.00 O ATOM 984 CB THR A 64 40.555 20.591 22.914 1.00 0.00 C ATOM 985 OG1 THR A 64 41.783 20.246 22.311 1.00 0.00 O ATOM 986 CG2 THR A 64 39.998 21.790 22.157 1.00 0.00 C ATOM 0 H THR A 64 42.263 22.139 23.852 1.00 0.00 H new ATOM 0 HA THR A 64 39.764 21.296 24.808 1.00 0.00 H new ATOM 0 HB THR A 64 39.866 19.749 22.851 1.00 0.00 H new ATOM 0 HG1 THR A 64 41.642 20.075 21.356 1.00 0.00 H new ATOM 0 HG21 THR A 64 39.918 21.546 21.098 1.00 0.00 H new ATOM 0 HG22 THR A 64 39.011 22.040 22.547 1.00 0.00 H new ATOM 0 HG23 THR A 64 40.665 22.642 22.284 1.00 0.00 H new ATOM 994 N CYS A 65 39.883 18.754 25.381 1.00 0.00 N ATOM 995 CA CYS A 65 39.918 17.522 26.185 1.00 0.00 C ATOM 996 C CYS A 65 40.017 16.245 25.331 1.00 0.00 C ATOM 997 O CYS A 65 39.433 16.187 24.244 1.00 0.00 O ATOM 998 CB CYS A 65 38.678 17.482 27.088 1.00 0.00 C ATOM 999 SG CYS A 65 38.872 16.497 28.595 1.00 0.00 S ATOM 0 H CYS A 65 38.960 18.952 24.994 1.00 0.00 H new ATOM 0 HA CYS A 65 40.824 17.544 26.790 1.00 0.00 H new ATOM 0 HB2 CYS A 65 38.416 18.502 27.368 1.00 0.00 H new ATOM 0 HB3 CYS A 65 37.841 17.084 26.515 1.00 0.00 H new ATOM 1004 N ASN A 66 40.712 15.213 25.829 1.00 0.00 N ATOM 1005 CA ASN A 66 40.852 13.905 25.163 1.00 0.00 C ATOM 1006 C ASN A 66 40.634 12.707 26.121 1.00 0.00 C ATOM 1007 O ASN A 66 40.193 11.632 25.719 1.00 0.00 O ATOM 1008 CB ASN A 66 42.240 13.873 24.491 1.00 0.00 C ATOM 1009 CG ASN A 66 42.399 12.736 23.492 1.00 0.00 C ATOM 1010 OD1 ASN A 66 42.698 11.602 23.848 1.00 0.00 O ATOM 1011 ND2 ASN A 66 42.259 13.011 22.218 1.00 0.00 N ATOM 0 H ASN A 66 41.203 15.262 26.722 1.00 0.00 H new ATOM 0 HA ASN A 66 40.068 13.795 24.414 1.00 0.00 H new ATOM 0 HB2 ASN A 66 42.411 14.821 23.982 1.00 0.00 H new ATOM 0 HB3 ASN A 66 43.007 13.781 25.260 1.00 0.00 H new ATOM 0 HD21 ASN A 66 42.399 12.280 21.520 1.00 0.00 H new ATOM 0 HD22 ASN A 66 42.010 13.956 21.925 1.00 0.00 H new HETATM 1018 N NH2 A 67 40.904 12.857 27.410 1.00 0.00 N TER 1021 NH2 A 67