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 49 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 7 SER OG : rot 158:sc= 1.2 USER MOD Set 2.2: A 10 THR OG1 : rot 180:sc= 1.08 USER MOD Single : A 1 LYS N :NH3+ -155:sc= 0.705 (180deg=0.362) USER MOD Single : A 1 LYS NZ :NH3+ 165:sc= 0.968 (180deg=0.8) USER MOD Single : A 4 TYR OH : rot 63:sc= 0.322 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 -123:sc= 0.197 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.934 K(o=0.93,f=-7.9!) 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=-0.73) USER MOD Single : A 32 GLN : amide:sc= 0.243 X(o=0.24,f=-0.027) USER MOD Single : A 33 TYR OH : rot -164:sc= 1.38 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 126:sc= 1.24 USER MOD Single : A 40 TYR OH : rot 78:sc= 1.47 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0.409 K(o=0.41,f=-6.2!) USER MOD Single : A 62 ASN : amide:sc= 0.932 K(o=0.93,f=-0.15) 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 K(o=0,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 24.916 34.562 36.969 1.00 0.00 N ATOM 2 CA LYS A 1 26.220 33.861 36.949 1.00 0.00 C ATOM 3 C LYS A 1 26.404 33.098 35.639 1.00 0.00 C ATOM 4 O LYS A 1 25.426 32.632 35.053 1.00 0.00 O ATOM 5 CB LYS A 1 26.413 32.961 38.187 1.00 0.00 C ATOM 6 CG LYS A 1 27.397 33.605 39.181 1.00 0.00 C ATOM 7 CD LYS A 1 27.891 32.639 40.271 1.00 0.00 C ATOM 8 CE LYS A 1 26.856 32.485 41.379 1.00 0.00 C ATOM 9 NZ LYS A 1 27.180 31.383 42.312 1.00 0.00 N ATOM 0 H1 LYS A 1 24.969 35.376 37.614 1.00 0.00 H new ATOM 0 H2 LYS A 1 24.686 34.894 36.011 1.00 0.00 H new ATOM 0 H3 LYS A 1 24.176 33.909 37.296 1.00 0.00 H new ATOM 0 HA LYS A 1 27.006 34.615 37.001 1.00 0.00 H new ATOM 0 HB2 LYS A 1 25.453 32.795 38.675 1.00 0.00 H new ATOM 0 HB3 LYS A 1 26.787 31.985 37.878 1.00 0.00 H new ATOM 0 HG2 LYS A 1 28.256 33.990 38.631 1.00 0.00 H new ATOM 0 HG3 LYS A 1 26.914 34.459 39.656 1.00 0.00 H new ATOM 0 HD2 LYS A 1 28.103 31.665 39.829 1.00 0.00 H new ATOM 0 HD3 LYS A 1 28.826 33.008 40.692 1.00 0.00 H new ATOM 0 HE2 LYS A 1 26.785 33.419 41.937 1.00 0.00 H new ATOM 0 HE3 LYS A 1 25.878 32.304 40.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 26.604 31.476 43.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 26.976 30.471 41.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 28.188 31.426 42.564 1.00 0.00 H new ATOM 25 N GLU A 2 27.647 32.950 35.177 1.00 0.00 N ATOM 26 CA GLU A 2 28.009 32.192 33.966 1.00 0.00 C ATOM 27 C GLU A 2 29.278 31.340 34.156 1.00 0.00 C ATOM 28 O GLU A 2 30.022 31.525 35.124 1.00 0.00 O ATOM 29 CB GLU A 2 28.157 33.137 32.757 1.00 0.00 C ATOM 30 CG GLU A 2 29.186 34.262 32.927 1.00 0.00 C ATOM 31 CD GLU A 2 29.383 34.985 31.594 1.00 0.00 C ATOM 32 OE1 GLU A 2 30.214 34.527 30.776 1.00 0.00 O ATOM 33 OE2 GLU A 2 28.670 35.979 31.305 1.00 0.00 O ATOM 0 H GLU A 2 28.455 33.363 35.643 1.00 0.00 H new ATOM 0 HA GLU A 2 27.192 31.497 33.771 1.00 0.00 H new ATOM 0 HB2 GLU A 2 28.432 32.544 31.885 1.00 0.00 H new ATOM 0 HB3 GLU A 2 27.186 33.584 32.545 1.00 0.00 H new ATOM 0 HG2 GLU A 2 28.847 34.966 33.687 1.00 0.00 H new ATOM 0 HG3 GLU A 2 30.135 33.851 33.273 1.00 0.00 H new ATOM 40 N GLY A 3 29.539 30.399 33.247 1.00 0.00 N ATOM 41 CA GLY A 3 30.763 29.589 33.255 1.00 0.00 C ATOM 42 C GLY A 3 30.701 28.356 32.353 1.00 0.00 C ATOM 43 O GLY A 3 29.703 28.099 31.678 1.00 0.00 O ATOM 0 H GLY A 3 28.905 30.175 32.480 1.00 0.00 H new ATOM 0 HA2 GLY A 3 31.601 30.213 32.943 1.00 0.00 H new ATOM 0 HA3 GLY A 3 30.967 29.269 34.277 1.00 0.00 H new ATOM 47 N TYR A 4 31.785 27.585 32.343 1.00 0.00 N ATOM 48 CA TYR A 4 31.934 26.406 31.490 1.00 0.00 C ATOM 49 C TYR A 4 31.049 25.219 31.912 1.00 0.00 C ATOM 50 O TYR A 4 30.849 24.964 33.104 1.00 0.00 O ATOM 51 CB TYR A 4 33.411 26.016 31.463 1.00 0.00 C ATOM 52 CG TYR A 4 33.761 24.962 30.438 1.00 0.00 C ATOM 53 CD1 TYR A 4 33.551 25.222 29.071 1.00 0.00 C ATOM 54 CD2 TYR A 4 34.335 23.742 30.848 1.00 0.00 C ATOM 55 CE1 TYR A 4 33.942 24.275 28.113 1.00 0.00 C ATOM 56 CE2 TYR A 4 34.765 22.807 29.886 1.00 0.00 C ATOM 57 CZ TYR A 4 34.574 23.079 28.515 1.00 0.00 C ATOM 58 OH TYR A 4 35.030 22.206 27.584 1.00 0.00 O ATOM 0 H TYR A 4 32.597 27.763 32.935 1.00 0.00 H new ATOM 0 HA TYR A 4 31.589 26.668 30.490 1.00 0.00 H new ATOM 0 HB2 TYR A 4 34.006 26.908 31.266 1.00 0.00 H new ATOM 0 HB3 TYR A 4 33.696 25.654 32.451 1.00 0.00 H new ATOM 0 HD1 TYR A 4 33.090 26.148 28.760 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.445 23.524 31.900 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.759 24.462 27.065 1.00 0.00 H new ATOM 0 HE2 TYR A 4 35.238 21.887 30.196 1.00 0.00 H new ATOM 0 HH TYR A 4 35.736 22.632 27.054 1.00 0.00 H new ATOM 68 N LEU A 5 30.541 24.479 30.917 1.00 0.00 N ATOM 69 CA LEU A 5 29.649 23.329 31.102 1.00 0.00 C ATOM 70 C LEU A 5 30.334 22.169 31.858 1.00 0.00 C ATOM 71 O LEU A 5 31.514 21.880 31.667 1.00 0.00 O ATOM 72 CB LEU A 5 29.118 22.909 29.715 1.00 0.00 C ATOM 73 CG LEU A 5 28.171 21.692 29.690 1.00 0.00 C ATOM 74 CD1 LEU A 5 26.850 21.937 30.421 1.00 0.00 C ATOM 75 CD2 LEU A 5 27.844 21.326 28.242 1.00 0.00 C ATOM 0 H LEU A 5 30.745 24.670 29.936 1.00 0.00 H new ATOM 0 HA LEU A 5 28.810 23.613 31.737 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.596 23.759 29.276 1.00 0.00 H new ATOM 0 HB3 LEU A 5 29.971 22.693 29.072 1.00 0.00 H new ATOM 0 HG LEU A 5 28.697 20.887 30.204 1.00 0.00 H new ATOM 0 HD11 LEU A 5 26.232 21.041 30.365 1.00 0.00 H new ATOM 0 HD12 LEU A 5 27.051 22.174 31.466 1.00 0.00 H new ATOM 0 HD13 LEU A 5 26.325 22.770 29.954 1.00 0.00 H new ATOM 0 HD21 LEU A 5 27.175 20.466 28.226 1.00 0.00 H new ATOM 0 HD22 LEU A 5 27.360 22.172 27.753 1.00 0.00 H new ATOM 0 HD23 LEU A 5 28.764 21.079 27.712 1.00 0.00 H new ATOM 87 N VAL A 6 29.556 21.474 32.691 1.00 0.00 N ATOM 88 CA VAL A 6 29.990 20.367 33.557 1.00 0.00 C ATOM 89 C VAL A 6 29.043 19.172 33.438 1.00 0.00 C ATOM 90 O VAL A 6 27.824 19.341 33.458 1.00 0.00 O ATOM 91 CB VAL A 6 30.161 20.851 35.016 1.00 0.00 C ATOM 92 CG1 VAL A 6 29.003 21.719 35.525 1.00 0.00 C ATOM 93 CG2 VAL A 6 30.330 19.696 36.006 1.00 0.00 C ATOM 0 H VAL A 6 28.560 21.674 32.787 1.00 0.00 H new ATOM 0 HA VAL A 6 30.967 20.021 33.220 1.00 0.00 H new ATOM 0 HB VAL A 6 31.068 21.454 34.974 1.00 0.00 H new ATOM 0 HG11 VAL A 6 29.198 22.018 36.555 1.00 0.00 H new ATOM 0 HG12 VAL A 6 28.912 22.607 34.900 1.00 0.00 H new ATOM 0 HG13 VAL A 6 28.075 21.149 35.482 1.00 0.00 H new ATOM 0 HG21 VAL A 6 30.446 20.095 37.014 1.00 0.00 H new ATOM 0 HG22 VAL A 6 29.450 19.053 35.969 1.00 0.00 H new ATOM 0 HG23 VAL A 6 31.214 19.116 35.741 1.00 0.00 H new ATOM 103 N SER A 7 29.594 17.960 33.330 1.00 0.00 N ATOM 104 CA SER A 7 28.851 16.703 33.142 1.00 0.00 C ATOM 105 C SER A 7 28.650 15.899 34.438 1.00 0.00 C ATOM 106 O SER A 7 29.302 16.134 35.461 1.00 0.00 O ATOM 107 CB SER A 7 29.535 15.857 32.064 1.00 0.00 C ATOM 108 OG SER A 7 30.895 15.629 32.377 1.00 0.00 O ATOM 0 H SER A 7 30.603 17.818 33.372 1.00 0.00 H new ATOM 0 HA SER A 7 27.847 16.974 32.816 1.00 0.00 H new ATOM 0 HB2 SER A 7 29.017 14.903 31.965 1.00 0.00 H new ATOM 0 HB3 SER A 7 29.461 16.362 31.101 1.00 0.00 H new ATOM 0 HG SER A 7 31.211 14.832 31.902 1.00 0.00 H new ATOM 114 N LYS A 8 27.735 14.923 34.398 1.00 0.00 N ATOM 115 CA LYS A 8 27.222 14.158 35.551 1.00 0.00 C ATOM 116 C LYS A 8 28.086 12.946 35.927 1.00 0.00 C ATOM 117 O LYS A 8 28.128 12.568 37.102 1.00 0.00 O ATOM 118 CB LYS A 8 25.785 13.694 35.227 1.00 0.00 C ATOM 119 CG LYS A 8 24.819 14.843 34.867 1.00 0.00 C ATOM 120 CD LYS A 8 23.515 14.312 34.262 1.00 0.00 C ATOM 121 CE LYS A 8 22.577 15.485 33.954 1.00 0.00 C ATOM 122 NZ LYS A 8 21.292 15.016 33.391 1.00 0.00 N ATOM 0 H LYS A 8 27.309 14.628 33.520 1.00 0.00 H new ATOM 0 HA LYS A 8 27.245 14.821 36.416 1.00 0.00 H new ATOM 0 HB2 LYS A 8 25.821 12.990 34.396 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.386 13.154 36.086 1.00 0.00 H new ATOM 0 HG2 LYS A 8 24.596 15.426 35.761 1.00 0.00 H new ATOM 0 HG3 LYS A 8 25.302 15.517 34.159 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.726 13.753 33.350 1.00 0.00 H new ATOM 0 HD3 LYS A 8 23.035 13.622 34.956 1.00 0.00 H new ATOM 0 HE2 LYS A 8 22.391 16.053 34.866 1.00 0.00 H new ATOM 0 HE3 LYS A 8 23.059 16.163 33.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.680 15.834 33.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.469 14.495 32.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 20.822 14.389 34.075 1.00 0.00 H new ATOM 136 N SER A 9 28.752 12.327 34.949 1.00 0.00 N ATOM 137 CA SER A 9 29.386 11.006 35.111 1.00 0.00 C ATOM 138 C SER A 9 30.620 10.734 34.226 1.00 0.00 C ATOM 139 O SER A 9 30.995 9.570 34.045 1.00 0.00 O ATOM 140 CB SER A 9 28.315 9.924 34.895 1.00 0.00 C ATOM 141 OG SER A 9 27.724 10.011 33.606 1.00 0.00 O ATOM 0 H SER A 9 28.870 12.725 34.017 1.00 0.00 H new ATOM 0 HA SER A 9 29.788 10.986 36.124 1.00 0.00 H new ATOM 0 HB2 SER A 9 28.764 8.939 35.022 1.00 0.00 H new ATOM 0 HB3 SER A 9 27.541 10.023 35.656 1.00 0.00 H new ATOM 0 HG SER A 9 27.050 9.306 33.507 1.00 0.00 H new ATOM 147 N THR A 10 31.259 11.770 33.660 1.00 0.00 N ATOM 148 CA THR A 10 32.292 11.626 32.600 1.00 0.00 C ATOM 149 C THR A 10 33.546 12.496 32.763 1.00 0.00 C ATOM 150 O THR A 10 34.563 12.217 32.118 1.00 0.00 O ATOM 151 CB THR A 10 31.695 11.904 31.211 1.00 0.00 C ATOM 152 OG1 THR A 10 31.182 13.217 31.177 1.00 0.00 O ATOM 153 CG2 THR A 10 30.576 10.927 30.860 1.00 0.00 C ATOM 0 H THR A 10 31.079 12.740 33.920 1.00 0.00 H new ATOM 0 HA THR A 10 32.618 10.591 32.704 1.00 0.00 H new ATOM 0 HB THR A 10 32.493 11.780 30.479 1.00 0.00 H new ATOM 0 HG1 THR A 10 30.802 13.397 30.292 1.00 0.00 H new ATOM 0 HG21 THR A 10 30.185 11.162 29.870 1.00 0.00 H new ATOM 0 HG22 THR A 10 30.967 9.910 30.863 1.00 0.00 H new ATOM 0 HG23 THR A 10 29.776 11.011 31.596 1.00 0.00 H new ATOM 161 N GLY A 11 33.534 13.518 33.620 1.00 0.00 N ATOM 162 CA GLY A 11 34.729 14.276 34.025 1.00 0.00 C ATOM 163 C GLY A 11 35.304 15.279 33.012 1.00 0.00 C ATOM 164 O GLY A 11 36.333 15.889 33.314 1.00 0.00 O ATOM 0 H GLY A 11 32.678 13.852 34.063 1.00 0.00 H new ATOM 0 HA2 GLY A 11 34.490 14.819 34.939 1.00 0.00 H new ATOM 0 HA3 GLY A 11 35.513 13.561 34.275 1.00 0.00 H new ATOM 168 N CYS A 12 34.700 15.467 31.832 1.00 0.00 N ATOM 169 CA CYS A 12 35.103 16.498 30.861 1.00 0.00 C ATOM 170 C CYS A 12 34.009 16.801 29.814 1.00 0.00 C ATOM 171 O CYS A 12 33.125 15.972 29.590 1.00 0.00 O ATOM 172 CB CYS A 12 36.389 16.051 30.148 1.00 0.00 C ATOM 173 SG CYS A 12 37.263 17.394 29.308 1.00 0.00 S ATOM 0 H CYS A 12 33.910 14.903 31.519 1.00 0.00 H new ATOM 0 HA CYS A 12 35.271 17.419 31.420 1.00 0.00 H new ATOM 0 HB2 CYS A 12 37.058 15.595 30.878 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.140 15.280 29.419 1.00 0.00 H new ATOM 178 N LYS A 13 34.106 17.960 29.140 1.00 0.00 N ATOM 179 CA LYS A 13 33.354 18.334 27.922 1.00 0.00 C ATOM 180 C LYS A 13 34.304 18.582 26.735 1.00 0.00 C ATOM 181 O LYS A 13 35.495 18.847 26.929 1.00 0.00 O ATOM 182 CB LYS A 13 32.477 19.580 28.170 1.00 0.00 C ATOM 183 CG LYS A 13 31.353 19.437 29.213 1.00 0.00 C ATOM 184 CD LYS A 13 30.371 18.272 29.008 1.00 0.00 C ATOM 185 CE LYS A 13 29.788 18.165 27.589 1.00 0.00 C ATOM 186 NZ LYS A 13 29.009 16.917 27.421 1.00 0.00 N ATOM 0 H LYS A 13 34.741 18.699 29.441 1.00 0.00 H new ATOM 0 HA LYS A 13 32.702 17.497 27.672 1.00 0.00 H new ATOM 0 HB2 LYS A 13 33.127 20.398 28.480 1.00 0.00 H new ATOM 0 HB3 LYS A 13 32.026 19.873 27.222 1.00 0.00 H new ATOM 0 HG2 LYS A 13 31.812 19.328 30.196 1.00 0.00 H new ATOM 0 HG3 LYS A 13 30.782 20.365 29.229 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.880 17.339 29.248 1.00 0.00 H new ATOM 0 HD3 LYS A 13 29.550 18.378 29.717 1.00 0.00 H new ATOM 0 HE2 LYS A 13 29.149 19.025 27.390 1.00 0.00 H new ATOM 0 HE3 LYS A 13 30.596 18.193 26.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 28.628 16.873 26.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 29.627 16.097 27.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 28.224 16.903 28.103 1.00 0.00 H new ATOM 200 N TYR A 14 33.769 18.503 25.515 1.00 0.00 N ATOM 201 CA TYR A 14 34.518 18.512 24.251 1.00 0.00 C ATOM 202 C TYR A 14 33.882 19.464 23.216 1.00 0.00 C ATOM 203 O TYR A 14 32.843 20.066 23.481 1.00 0.00 O ATOM 204 CB TYR A 14 34.639 17.064 23.749 1.00 0.00 C ATOM 205 CG TYR A 14 35.294 16.126 24.752 1.00 0.00 C ATOM 206 CD1 TYR A 14 34.511 15.436 25.702 1.00 0.00 C ATOM 207 CD2 TYR A 14 36.693 15.982 24.766 1.00 0.00 C ATOM 208 CE1 TYR A 14 35.121 14.622 26.675 1.00 0.00 C ATOM 209 CE2 TYR A 14 37.306 15.155 25.725 1.00 0.00 C ATOM 210 CZ TYR A 14 36.525 14.477 26.683 1.00 0.00 C ATOM 211 OH TYR A 14 37.131 13.665 27.587 1.00 0.00 O ATOM 0 H TYR A 14 32.762 18.428 25.372 1.00 0.00 H new ATOM 0 HA TYR A 14 35.521 18.906 24.414 1.00 0.00 H new ATOM 0 HB2 TYR A 14 33.645 16.688 23.507 1.00 0.00 H new ATOM 0 HB3 TYR A 14 35.217 17.055 22.825 1.00 0.00 H new ATOM 0 HD1 TYR A 14 33.436 15.533 25.682 1.00 0.00 H new ATOM 0 HD2 TYR A 14 37.297 16.506 24.040 1.00 0.00 H new ATOM 0 HE1 TYR A 14 34.518 14.111 27.411 1.00 0.00 H new ATOM 0 HE2 TYR A 14 38.380 15.039 25.727 1.00 0.00 H new ATOM 0 HH TYR A 14 37.789 14.180 28.099 1.00 0.00 H new ATOM 221 N GLU A 15 34.528 19.679 22.064 1.00 0.00 N ATOM 222 CA GLU A 15 34.281 20.854 21.205 1.00 0.00 C ATOM 223 C GLU A 15 32.862 20.973 20.621 1.00 0.00 C ATOM 224 O GLU A 15 32.235 19.975 20.249 1.00 0.00 O ATOM 225 CB GLU A 15 35.288 20.920 20.043 1.00 0.00 C ATOM 226 CG GLU A 15 36.759 20.971 20.479 1.00 0.00 C ATOM 227 CD GLU A 15 37.710 21.311 19.319 1.00 0.00 C ATOM 228 OE1 GLU A 15 37.514 20.832 18.175 1.00 0.00 O ATOM 229 OE2 GLU A 15 38.661 22.099 19.534 1.00 0.00 O ATOM 0 H GLU A 15 35.238 19.046 21.697 1.00 0.00 H new ATOM 0 HA GLU A 15 34.406 21.692 21.891 1.00 0.00 H new ATOM 0 HB2 GLU A 15 35.142 20.050 19.402 1.00 0.00 H new ATOM 0 HB3 GLU A 15 35.070 21.801 19.439 1.00 0.00 H new ATOM 0 HG2 GLU A 15 36.874 21.714 21.268 1.00 0.00 H new ATOM 0 HG3 GLU A 15 37.041 20.008 20.905 1.00 0.00 H new ATOM 236 N CYS A 16 32.393 22.216 20.475 1.00 0.00 N ATOM 237 CA CYS A 16 31.091 22.553 19.895 1.00 0.00 C ATOM 238 C CYS A 16 31.114 22.580 18.352 1.00 0.00 C ATOM 239 O CYS A 16 32.172 22.684 17.720 1.00 0.00 O ATOM 240 CB CYS A 16 30.599 23.874 20.505 1.00 0.00 C ATOM 241 SG CYS A 16 31.522 25.344 19.981 1.00 0.00 S ATOM 0 H CYS A 16 32.924 23.037 20.765 1.00 0.00 H new ATOM 0 HA CYS A 16 30.381 21.765 20.146 1.00 0.00 H new ATOM 0 HB2 CYS A 16 29.549 24.009 20.245 1.00 0.00 H new ATOM 0 HB3 CYS A 16 30.651 23.798 21.591 1.00 0.00 H new ATOM 246 N LEU A 17 29.940 22.504 17.721 1.00 0.00 N ATOM 247 CA LEU A 17 29.781 22.507 16.261 1.00 0.00 C ATOM 248 C LEU A 17 29.924 23.918 15.659 1.00 0.00 C ATOM 249 O LEU A 17 30.567 24.086 14.616 1.00 0.00 O ATOM 250 CB LEU A 17 28.410 21.877 15.945 1.00 0.00 C ATOM 251 CG LEU A 17 28.144 21.580 14.459 1.00 0.00 C ATOM 252 CD1 LEU A 17 29.124 20.549 13.894 1.00 0.00 C ATOM 253 CD2 LEU A 17 26.733 21.015 14.307 1.00 0.00 C ATOM 0 H LEU A 17 29.053 22.437 18.220 1.00 0.00 H new ATOM 0 HA LEU A 17 30.577 21.923 15.800 1.00 0.00 H new ATOM 0 HB2 LEU A 17 28.320 20.946 16.505 1.00 0.00 H new ATOM 0 HB3 LEU A 17 27.630 22.546 16.309 1.00 0.00 H new ATOM 0 HG LEU A 17 28.266 22.515 13.912 1.00 0.00 H new ATOM 0 HD11 LEU A 17 28.898 20.371 12.843 1.00 0.00 H new ATOM 0 HD12 LEU A 17 30.143 20.926 13.988 1.00 0.00 H new ATOM 0 HD13 LEU A 17 29.030 19.615 14.449 1.00 0.00 H new ATOM 0 HD21 LEU A 17 26.538 20.802 13.256 1.00 0.00 H new ATOM 0 HD22 LEU A 17 26.645 20.096 14.886 1.00 0.00 H new ATOM 0 HD23 LEU A 17 26.008 21.744 14.670 1.00 0.00 H new ATOM 265 N LYS A 18 29.371 24.923 16.354 1.00 0.00 N ATOM 266 CA LYS A 18 29.385 26.350 15.999 1.00 0.00 C ATOM 267 C LYS A 18 29.820 27.217 17.187 1.00 0.00 C ATOM 268 O LYS A 18 29.293 27.074 18.289 1.00 0.00 O ATOM 269 CB LYS A 18 27.991 26.748 15.476 1.00 0.00 C ATOM 270 CG LYS A 18 27.893 28.250 15.160 1.00 0.00 C ATOM 271 CD LYS A 18 26.623 28.638 14.393 1.00 0.00 C ATOM 272 CE LYS A 18 25.334 28.327 15.158 1.00 0.00 C ATOM 273 NZ LYS A 18 24.170 28.949 14.492 1.00 0.00 N ATOM 0 H LYS A 18 28.874 24.752 17.228 1.00 0.00 H new ATOM 0 HA LYS A 18 30.119 26.521 15.211 1.00 0.00 H new ATOM 0 HB2 LYS A 18 27.765 26.174 14.577 1.00 0.00 H new ATOM 0 HB3 LYS A 18 27.238 26.485 16.219 1.00 0.00 H new ATOM 0 HG2 LYS A 18 27.929 28.812 16.094 1.00 0.00 H new ATOM 0 HG3 LYS A 18 28.764 28.547 14.576 1.00 0.00 H new ATOM 0 HD2 LYS A 18 26.655 29.704 14.167 1.00 0.00 H new ATOM 0 HD3 LYS A 18 26.607 28.110 13.439 1.00 0.00 H new ATOM 0 HE2 LYS A 18 25.192 27.248 15.218 1.00 0.00 H new ATOM 0 HE3 LYS A 18 25.414 28.695 16.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 23.305 28.727 15.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 24.300 29.980 14.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 24.085 28.578 13.524 1.00 0.00 H new ATOM 287 N LEU A 19 30.755 28.132 16.943 1.00 0.00 N ATOM 288 CA LEU A 19 31.283 29.107 17.905 1.00 0.00 C ATOM 289 C LEU A 19 30.438 30.395 17.917 1.00 0.00 C ATOM 290 O LEU A 19 29.862 30.765 16.889 1.00 0.00 O ATOM 291 CB LEU A 19 32.751 29.394 17.546 1.00 0.00 C ATOM 292 CG LEU A 19 33.679 28.172 17.701 1.00 0.00 C ATOM 293 CD1 LEU A 19 34.956 28.364 16.889 1.00 0.00 C ATOM 294 CD2 LEU A 19 34.075 27.957 19.159 1.00 0.00 C ATOM 0 H LEU A 19 31.189 28.221 16.024 1.00 0.00 H new ATOM 0 HA LEU A 19 31.230 28.697 18.913 1.00 0.00 H new ATOM 0 HB2 LEU A 19 32.801 29.748 16.516 1.00 0.00 H new ATOM 0 HB3 LEU A 19 33.119 30.201 18.179 1.00 0.00 H new ATOM 0 HG LEU A 19 33.126 27.304 17.341 1.00 0.00 H new ATOM 0 HD11 LEU A 19 35.599 27.492 17.010 1.00 0.00 H new ATOM 0 HD12 LEU A 19 34.703 28.484 15.836 1.00 0.00 H new ATOM 0 HD13 LEU A 19 35.480 29.253 17.240 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.729 27.088 19.234 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.599 28.839 19.527 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.180 27.790 19.758 1.00 0.00 H new ATOM 306 N GLY A 20 30.387 31.090 19.059 1.00 0.00 N ATOM 307 CA GLY A 20 29.492 32.235 19.289 1.00 0.00 C ATOM 308 C GLY A 20 28.095 31.784 19.734 1.00 0.00 C ATOM 309 O GLY A 20 27.977 30.833 20.509 1.00 0.00 O ATOM 0 H GLY A 20 30.975 30.871 19.863 1.00 0.00 H new ATOM 0 HA2 GLY A 20 29.923 32.887 20.049 1.00 0.00 H new ATOM 0 HA3 GLY A 20 29.410 32.822 18.374 1.00 0.00 H new ATOM 313 N ASP A 21 27.039 32.441 19.240 1.00 0.00 N ATOM 314 CA ASP A 21 25.645 31.975 19.363 1.00 0.00 C ATOM 315 C ASP A 21 25.529 30.488 18.973 1.00 0.00 C ATOM 316 O ASP A 21 25.959 30.096 17.884 1.00 0.00 O ATOM 317 CB ASP A 21 24.740 32.842 18.468 1.00 0.00 C ATOM 318 CG ASP A 21 23.238 32.578 18.643 1.00 0.00 C ATOM 319 OD1 ASP A 21 22.737 31.483 18.291 1.00 0.00 O ATOM 320 OD2 ASP A 21 22.523 33.505 19.095 1.00 0.00 O ATOM 0 H ASP A 21 27.126 33.324 18.736 1.00 0.00 H new ATOM 0 HA ASP A 21 25.326 32.072 20.401 1.00 0.00 H new ATOM 0 HB2 ASP A 21 24.939 33.893 18.679 1.00 0.00 H new ATOM 0 HB3 ASP A 21 25.008 32.670 17.426 1.00 0.00 H new ATOM 325 N ASN A 22 24.980 29.668 19.872 1.00 0.00 N ATOM 326 CA ASN A 22 24.848 28.225 19.689 1.00 0.00 C ATOM 327 C ASN A 22 23.602 27.705 20.432 1.00 0.00 C ATOM 328 O ASN A 22 23.531 27.720 21.664 1.00 0.00 O ATOM 329 CB ASN A 22 26.163 27.550 20.133 1.00 0.00 C ATOM 330 CG ASN A 22 26.182 26.049 19.897 1.00 0.00 C ATOM 331 OD1 ASN A 22 25.212 25.344 20.122 1.00 0.00 O ATOM 332 ND2 ASN A 22 27.275 25.497 19.440 1.00 0.00 N ATOM 0 H ASN A 22 24.609 29.997 20.763 1.00 0.00 H new ATOM 0 HA ASN A 22 24.691 27.975 18.640 1.00 0.00 H new ATOM 0 HB2 ASN A 22 26.995 28.005 19.596 1.00 0.00 H new ATOM 0 HB3 ASN A 22 26.323 27.745 21.193 1.00 0.00 H new ATOM 0 HD21 ASN A 22 27.308 24.491 19.277 1.00 0.00 H new ATOM 0 HD22 ASN A 22 28.095 26.072 19.247 1.00 0.00 H new ATOM 339 N ASP A 23 22.626 27.240 19.656 1.00 0.00 N ATOM 340 CA ASP A 23 21.323 26.741 20.102 1.00 0.00 C ATOM 341 C ASP A 23 21.399 25.402 20.864 1.00 0.00 C ATOM 342 O ASP A 23 20.669 25.209 21.836 1.00 0.00 O ATOM 343 CB ASP A 23 20.460 26.632 18.838 1.00 0.00 C ATOM 344 CG ASP A 23 19.043 26.149 19.112 1.00 0.00 C ATOM 345 OD1 ASP A 23 18.154 27.003 19.352 1.00 0.00 O ATOM 346 OD2 ASP A 23 18.815 24.923 19.041 1.00 0.00 O ATOM 0 H ASP A 23 22.727 27.198 18.642 1.00 0.00 H new ATOM 0 HA ASP A 23 20.891 27.428 20.830 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.416 27.607 18.352 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.940 25.948 18.138 1.00 0.00 H new ATOM 351 N TYR A 24 22.318 24.502 20.491 1.00 0.00 N ATOM 352 CA TYR A 24 22.587 23.264 21.238 1.00 0.00 C ATOM 353 C TYR A 24 23.168 23.546 22.628 1.00 0.00 C ATOM 354 O TYR A 24 22.700 22.971 23.610 1.00 0.00 O ATOM 355 CB TYR A 24 23.514 22.341 20.435 1.00 0.00 C ATOM 356 CG TYR A 24 24.045 21.156 21.227 1.00 0.00 C ATOM 357 CD1 TYR A 24 23.252 20.007 21.417 1.00 0.00 C ATOM 358 CD2 TYR A 24 25.333 21.213 21.793 1.00 0.00 C ATOM 359 CE1 TYR A 24 23.758 18.903 22.132 1.00 0.00 C ATOM 360 CE2 TYR A 24 25.830 20.124 22.535 1.00 0.00 C ATOM 361 CZ TYR A 24 25.053 18.960 22.692 1.00 0.00 C ATOM 362 OH TYR A 24 25.559 17.894 23.367 1.00 0.00 O ATOM 0 H TYR A 24 22.899 24.611 19.660 1.00 0.00 H new ATOM 0 HA TYR A 24 21.633 22.758 21.386 1.00 0.00 H new ATOM 0 HB2 TYR A 24 22.974 21.970 19.564 1.00 0.00 H new ATOM 0 HB3 TYR A 24 24.357 22.924 20.064 1.00 0.00 H new ATOM 0 HD1 TYR A 24 22.251 19.972 21.013 1.00 0.00 H new ATOM 0 HD2 TYR A 24 25.942 22.095 21.658 1.00 0.00 H new ATOM 0 HE1 TYR A 24 23.156 18.014 22.251 1.00 0.00 H new ATOM 0 HE2 TYR A 24 26.810 20.182 22.985 1.00 0.00 H new ATOM 0 HH TYR A 24 26.462 18.106 23.684 1.00 0.00 H new ATOM 372 N CYS A 25 24.124 24.475 22.747 1.00 0.00 N ATOM 373 CA CYS A 25 24.641 24.880 24.057 1.00 0.00 C ATOM 374 C CYS A 25 23.529 25.466 24.944 1.00 0.00 C ATOM 375 O CYS A 25 23.498 25.195 26.143 1.00 0.00 O ATOM 376 CB CYS A 25 25.783 25.888 23.897 1.00 0.00 C ATOM 377 SG CYS A 25 27.264 25.321 23.016 1.00 0.00 S ATOM 0 H CYS A 25 24.552 24.957 21.957 1.00 0.00 H new ATOM 0 HA CYS A 25 25.027 23.988 24.550 1.00 0.00 H new ATOM 0 HB2 CYS A 25 25.393 26.762 23.376 1.00 0.00 H new ATOM 0 HB3 CYS A 25 26.085 26.218 24.891 1.00 0.00 H new ATOM 382 N LEU A 26 22.585 26.220 24.363 1.00 0.00 N ATOM 383 CA LEU A 26 21.404 26.716 25.074 1.00 0.00 C ATOM 384 C LEU A 26 20.532 25.546 25.569 1.00 0.00 C ATOM 385 O LEU A 26 20.293 25.438 26.773 1.00 0.00 O ATOM 386 CB LEU A 26 20.654 27.714 24.164 1.00 0.00 C ATOM 387 CG LEU A 26 19.835 28.789 24.905 1.00 0.00 C ATOM 388 CD1 LEU A 26 19.268 29.776 23.884 1.00 0.00 C ATOM 389 CD2 LEU A 26 18.669 28.229 25.721 1.00 0.00 C ATOM 0 H LEU A 26 22.622 26.502 23.384 1.00 0.00 H new ATOM 0 HA LEU A 26 21.697 27.256 25.974 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.380 28.212 23.522 1.00 0.00 H new ATOM 0 HB3 LEU A 26 19.983 27.154 23.512 1.00 0.00 H new ATOM 0 HG LEU A 26 20.521 29.265 25.606 1.00 0.00 H new ATOM 0 HD11 LEU A 26 18.687 30.540 24.400 1.00 0.00 H new ATOM 0 HD12 LEU A 26 20.087 30.248 23.341 1.00 0.00 H new ATOM 0 HD13 LEU A 26 18.626 29.244 23.182 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.142 29.047 26.212 1.00 0.00 H new ATOM 0 HD22 LEU A 26 17.982 27.701 25.059 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.050 27.539 26.474 1.00 0.00 H new ATOM 401 N ARG A 27 20.136 24.621 24.679 1.00 0.00 N ATOM 402 CA ARG A 27 19.353 23.411 25.018 1.00 0.00 C ATOM 403 C ARG A 27 19.995 22.571 26.123 1.00 0.00 C ATOM 404 O ARG A 27 19.304 22.174 27.061 1.00 0.00 O ATOM 405 CB ARG A 27 19.166 22.536 23.765 1.00 0.00 C ATOM 406 CG ARG A 27 18.046 23.036 22.846 1.00 0.00 C ATOM 407 CD ARG A 27 17.944 22.163 21.587 1.00 0.00 C ATOM 408 NE ARG A 27 18.891 22.599 20.545 1.00 0.00 N ATOM 409 CZ ARG A 27 19.651 21.870 19.754 1.00 0.00 C ATOM 410 NH1 ARG A 27 19.918 20.616 19.956 1.00 0.00 N ATOM 411 NH2 ARG A 27 20.189 22.422 18.713 1.00 0.00 N ATOM 0 H ARG A 27 20.353 24.690 23.685 1.00 0.00 H new ATOM 0 HA ARG A 27 18.390 23.761 25.391 1.00 0.00 H new ATOM 0 HB2 ARG A 27 20.101 22.507 23.206 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.947 21.513 24.072 1.00 0.00 H new ATOM 0 HG2 ARG A 27 17.097 23.022 23.381 1.00 0.00 H new ATOM 0 HG3 ARG A 27 18.237 24.071 22.562 1.00 0.00 H new ATOM 0 HD2 ARG A 27 18.142 21.123 21.848 1.00 0.00 H new ATOM 0 HD3 ARG A 27 16.927 22.205 21.196 1.00 0.00 H new ATOM 0 HE ARG A 27 18.969 23.608 20.419 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.530 20.137 20.769 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.515 20.110 19.302 1.00 0.00 H new ATOM 0 HH21 ARG A 27 20.022 23.409 18.515 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.780 21.870 18.091 1.00 0.00 H new ATOM 425 N GLU A 28 21.299 22.325 26.032 1.00 0.00 N ATOM 426 CA GLU A 28 22.055 21.490 26.971 1.00 0.00 C ATOM 427 C GLU A 28 22.179 22.149 28.357 1.00 0.00 C ATOM 428 O GLU A 28 21.950 21.482 29.370 1.00 0.00 O ATOM 429 CB GLU A 28 23.428 21.175 26.344 1.00 0.00 C ATOM 430 CG GLU A 28 24.333 20.238 27.160 1.00 0.00 C ATOM 431 CD GLU A 28 23.943 18.752 27.097 1.00 0.00 C ATOM 432 OE1 GLU A 28 22.744 18.413 27.265 1.00 0.00 O ATOM 433 OE2 GLU A 28 24.859 17.903 26.971 1.00 0.00 O ATOM 0 H GLU A 28 21.878 22.709 25.285 1.00 0.00 H new ATOM 0 HA GLU A 28 21.519 20.557 27.144 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.265 20.730 25.363 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.958 22.114 26.184 1.00 0.00 H new ATOM 0 HG2 GLU A 28 25.358 20.346 26.806 1.00 0.00 H new ATOM 0 HG3 GLU A 28 24.320 20.559 28.202 1.00 0.00 H new ATOM 440 N CYS A 29 22.452 23.457 28.429 1.00 0.00 N ATOM 441 CA CYS A 29 22.461 24.205 29.693 1.00 0.00 C ATOM 442 C CYS A 29 21.055 24.288 30.323 1.00 0.00 C ATOM 443 O CYS A 29 20.907 24.094 31.533 1.00 0.00 O ATOM 444 CB CYS A 29 23.049 25.600 29.443 1.00 0.00 C ATOM 445 SG CYS A 29 24.809 25.633 28.995 1.00 0.00 S ATOM 0 H CYS A 29 22.673 24.027 27.613 1.00 0.00 H new ATOM 0 HA CYS A 29 23.085 23.675 30.412 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.479 26.079 28.646 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.908 26.202 30.341 1.00 0.00 H new ATOM 450 N LYS A 30 20.009 24.485 29.507 1.00 0.00 N ATOM 451 CA LYS A 30 18.590 24.501 29.918 1.00 0.00 C ATOM 452 C LYS A 30 18.086 23.125 30.399 1.00 0.00 C ATOM 453 O LYS A 30 17.199 23.034 31.248 1.00 0.00 O ATOM 454 CB LYS A 30 17.783 25.059 28.726 1.00 0.00 C ATOM 455 CG LYS A 30 16.379 25.536 29.103 1.00 0.00 C ATOM 456 CD LYS A 30 15.648 26.158 27.902 1.00 0.00 C ATOM 457 CE LYS A 30 14.225 26.582 28.294 1.00 0.00 C ATOM 458 NZ LYS A 30 13.500 27.198 27.161 1.00 0.00 N ATOM 0 H LYS A 30 20.128 24.644 28.506 1.00 0.00 H new ATOM 0 HA LYS A 30 18.459 25.141 30.791 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.333 25.890 28.284 1.00 0.00 H new ATOM 0 HB3 LYS A 30 17.702 24.287 27.961 1.00 0.00 H new ATOM 0 HG2 LYS A 30 15.800 24.696 29.486 1.00 0.00 H new ATOM 0 HG3 LYS A 30 16.447 26.269 29.907 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.204 27.023 27.540 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.606 25.440 27.083 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.672 25.712 28.649 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.272 27.289 29.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.544 27.470 27.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.014 28.043 26.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.432 26.515 26.380 1.00 0.00 H new ATOM 472 N GLN A 31 18.700 22.044 29.910 1.00 0.00 N ATOM 473 CA GLN A 31 18.484 20.666 30.374 1.00 0.00 C ATOM 474 C GLN A 31 19.259 20.337 31.667 1.00 0.00 C ATOM 475 O GLN A 31 18.839 19.479 32.444 1.00 0.00 O ATOM 476 CB GLN A 31 18.868 19.720 29.225 1.00 0.00 C ATOM 477 CG GLN A 31 18.459 18.262 29.469 1.00 0.00 C ATOM 478 CD GLN A 31 18.727 17.367 28.264 1.00 0.00 C ATOM 479 OE1 GLN A 31 18.920 17.811 27.136 1.00 0.00 O ATOM 480 NE2 GLN A 31 18.753 16.072 28.465 1.00 0.00 N ATOM 0 H GLN A 31 19.384 22.103 29.156 1.00 0.00 H new ATOM 0 HA GLN A 31 17.434 20.539 30.637 1.00 0.00 H new ATOM 0 HB2 GLN A 31 18.401 20.071 28.305 1.00 0.00 H new ATOM 0 HB3 GLN A 31 19.946 19.766 29.072 1.00 0.00 H new ATOM 0 HG2 GLN A 31 19.002 17.876 30.331 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.398 18.223 29.717 1.00 0.00 H new ATOM 0 HE21 GLN A 31 18.593 15.698 29.400 1.00 0.00 H new ATOM 0 HE22 GLN A 31 18.933 15.439 27.686 1.00 0.00 H new ATOM 489 N GLN A 32 20.379 21.022 31.927 1.00 0.00 N ATOM 490 CA GLN A 32 21.216 20.799 33.112 1.00 0.00 C ATOM 491 C GLN A 32 20.756 21.614 34.335 1.00 0.00 C ATOM 492 O GLN A 32 20.743 21.072 35.442 1.00 0.00 O ATOM 493 CB GLN A 32 22.681 21.085 32.735 1.00 0.00 C ATOM 494 CG GLN A 32 23.696 20.869 33.868 1.00 0.00 C ATOM 495 CD GLN A 32 23.670 19.470 34.478 1.00 0.00 C ATOM 496 OE1 GLN A 32 24.272 18.531 33.968 1.00 0.00 O ATOM 497 NE2 GLN A 32 23.011 19.293 35.601 1.00 0.00 N ATOM 0 H GLN A 32 20.734 21.755 31.313 1.00 0.00 H new ATOM 0 HA GLN A 32 21.117 19.759 33.422 1.00 0.00 H new ATOM 0 HB2 GLN A 32 22.956 20.447 31.895 1.00 0.00 H new ATOM 0 HB3 GLN A 32 22.757 22.116 32.391 1.00 0.00 H new ATOM 0 HG2 GLN A 32 24.697 21.067 33.485 1.00 0.00 H new ATOM 0 HG3 GLN A 32 23.505 21.599 34.655 1.00 0.00 H new ATOM 0 HE21 GLN A 32 22.510 20.073 36.027 1.00 0.00 H new ATOM 0 HE22 GLN A 32 23.001 18.376 36.047 1.00 0.00 H new ATOM 506 N TYR A 33 20.372 22.883 34.152 1.00 0.00 N ATOM 507 CA TYR A 33 20.049 23.820 35.241 1.00 0.00 C ATOM 508 C TYR A 33 18.717 24.574 35.037 1.00 0.00 C ATOM 509 O TYR A 33 18.607 25.756 35.373 1.00 0.00 O ATOM 510 CB TYR A 33 21.244 24.763 35.491 1.00 0.00 C ATOM 511 CG TYR A 33 22.549 24.104 35.914 1.00 0.00 C ATOM 512 CD1 TYR A 33 22.574 23.173 36.975 1.00 0.00 C ATOM 513 CD2 TYR A 33 23.755 24.471 35.281 1.00 0.00 C ATOM 514 CE1 TYR A 33 23.791 22.594 37.383 1.00 0.00 C ATOM 515 CE2 TYR A 33 24.978 23.921 35.710 1.00 0.00 C ATOM 516 CZ TYR A 33 24.993 22.976 36.757 1.00 0.00 C ATOM 517 OH TYR A 33 26.171 22.467 37.195 1.00 0.00 O ATOM 0 H TYR A 33 20.274 23.298 33.225 1.00 0.00 H new ATOM 0 HA TYR A 33 19.882 23.231 36.143 1.00 0.00 H new ATOM 0 HB2 TYR A 33 21.428 25.331 34.579 1.00 0.00 H new ATOM 0 HB3 TYR A 33 20.958 25.480 36.261 1.00 0.00 H new ATOM 0 HD1 TYR A 33 21.656 22.904 37.476 1.00 0.00 H new ATOM 0 HD2 TYR A 33 23.740 25.177 34.464 1.00 0.00 H new ATOM 0 HE1 TYR A 33 23.802 21.859 38.174 1.00 0.00 H new ATOM 0 HE2 TYR A 33 25.902 24.222 35.239 1.00 0.00 H new ATOM 0 HH TYR A 33 26.911 23.002 36.840 1.00 0.00 H new ATOM 527 N GLY A 34 17.693 23.899 34.512 1.00 0.00 N ATOM 528 CA GLY A 34 16.318 24.408 34.433 1.00 0.00 C ATOM 529 C GLY A 34 16.064 25.455 33.342 1.00 0.00 C ATOM 530 O GLY A 34 16.986 26.032 32.758 1.00 0.00 O ATOM 0 H GLY A 34 17.796 22.963 34.121 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.646 23.566 34.267 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.054 24.842 35.397 1.00 0.00 H new ATOM 534 N LYS A 35 14.777 25.728 33.077 1.00 0.00 N ATOM 535 CA LYS A 35 14.334 26.572 31.952 1.00 0.00 C ATOM 536 C LYS A 35 14.853 28.014 31.988 1.00 0.00 C ATOM 537 O LYS A 35 14.983 28.641 30.939 1.00 0.00 O ATOM 538 CB LYS A 35 12.808 26.515 31.785 1.00 0.00 C ATOM 539 CG LYS A 35 12.008 27.325 32.815 1.00 0.00 C ATOM 540 CD LYS A 35 10.527 27.280 32.438 1.00 0.00 C ATOM 541 CE LYS A 35 9.706 28.216 33.320 1.00 0.00 C ATOM 542 NZ LYS A 35 8.344 28.365 32.769 1.00 0.00 N ATOM 0 H LYS A 35 14.007 25.367 33.641 1.00 0.00 H new ATOM 0 HA LYS A 35 14.797 26.139 31.066 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.554 26.874 30.788 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.491 25.474 31.840 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.155 26.915 33.814 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.360 28.356 32.839 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.406 27.562 31.392 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.154 26.261 32.538 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.655 27.821 34.335 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.191 29.190 33.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.792 29.004 33.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.399 28.761 31.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.880 27.435 32.733 1.00 0.00 H new ATOM 556 N SER A 36 15.178 28.523 33.176 1.00 0.00 N ATOM 557 CA SER A 36 15.681 29.886 33.404 1.00 0.00 C ATOM 558 C SER A 36 17.157 30.080 33.019 1.00 0.00 C ATOM 559 O SER A 36 17.637 31.214 33.015 1.00 0.00 O ATOM 560 CB SER A 36 15.487 30.278 34.875 1.00 0.00 C ATOM 561 OG SER A 36 14.154 30.033 35.296 1.00 0.00 O ATOM 0 H SER A 36 15.097 27.983 34.038 1.00 0.00 H new ATOM 0 HA SER A 36 15.098 30.533 32.748 1.00 0.00 H new ATOM 0 HB2 SER A 36 16.179 29.713 35.500 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.726 31.333 35.008 1.00 0.00 H new ATOM 0 HG SER A 36 14.056 30.289 36.237 1.00 0.00 H new ATOM 567 N SER A 37 17.882 29.003 32.703 1.00 0.00 N ATOM 568 CA SER A 37 19.294 29.044 32.302 1.00 0.00 C ATOM 569 C SER A 37 19.462 29.182 30.784 1.00 0.00 C ATOM 570 O SER A 37 18.618 28.720 30.012 1.00 0.00 O ATOM 571 CB SER A 37 20.017 27.801 32.826 1.00 0.00 C ATOM 572 OG SER A 37 19.936 27.794 34.241 1.00 0.00 O ATOM 0 H SER A 37 17.497 28.058 32.719 1.00 0.00 H new ATOM 0 HA SER A 37 19.744 29.932 32.745 1.00 0.00 H new ATOM 0 HB2 SER A 37 19.563 26.899 32.417 1.00 0.00 H new ATOM 0 HB3 SER A 37 21.059 27.807 32.507 1.00 0.00 H new ATOM 0 HG SER A 37 19.558 26.942 34.543 1.00 0.00 H new ATOM 578 N GLY A 38 20.552 29.819 30.356 1.00 0.00 N ATOM 579 CA GLY A 38 20.933 30.001 28.951 1.00 0.00 C ATOM 580 C GLY A 38 22.273 29.341 28.612 1.00 0.00 C ATOM 581 O GLY A 38 22.924 28.739 29.471 1.00 0.00 O ATOM 0 H GLY A 38 21.221 30.239 31.001 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.155 29.584 28.311 1.00 0.00 H new ATOM 0 HA3 GLY A 38 20.991 31.067 28.730 1.00 0.00 H new ATOM 585 N GLY A 39 22.703 29.466 27.355 1.00 0.00 N ATOM 586 CA GLY A 39 23.997 28.961 26.891 1.00 0.00 C ATOM 587 C GLY A 39 24.376 29.371 25.461 1.00 0.00 C ATOM 588 O GLY A 39 23.519 29.718 24.644 1.00 0.00 O ATOM 0 H GLY A 39 22.159 29.924 26.624 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.773 29.312 27.572 1.00 0.00 H new ATOM 0 HA3 GLY A 39 23.989 27.873 26.951 1.00 0.00 H new ATOM 592 N TYR A 40 25.683 29.349 25.184 1.00 0.00 N ATOM 593 CA TYR A 40 26.323 29.583 23.876 1.00 0.00 C ATOM 594 C TYR A 40 27.762 29.009 23.857 1.00 0.00 C ATOM 595 O TYR A 40 28.181 28.421 24.855 1.00 0.00 O ATOM 596 CB TYR A 40 26.249 31.078 23.502 1.00 0.00 C ATOM 597 CG TYR A 40 27.190 32.094 24.133 1.00 0.00 C ATOM 598 CD1 TYR A 40 27.638 31.995 25.469 1.00 0.00 C ATOM 599 CD2 TYR A 40 27.532 33.227 23.368 1.00 0.00 C ATOM 600 CE1 TYR A 40 28.425 33.027 26.024 1.00 0.00 C ATOM 601 CE2 TYR A 40 28.321 34.252 23.918 1.00 0.00 C ATOM 602 CZ TYR A 40 28.773 34.155 25.247 1.00 0.00 C ATOM 603 OH TYR A 40 29.549 35.146 25.761 1.00 0.00 O ATOM 0 H TYR A 40 26.371 29.155 25.911 1.00 0.00 H new ATOM 0 HA TYR A 40 25.776 29.045 23.102 1.00 0.00 H new ATOM 0 HB2 TYR A 40 26.386 31.144 22.423 1.00 0.00 H new ATOM 0 HB3 TYR A 40 25.233 31.410 23.715 1.00 0.00 H new ATOM 0 HD1 TYR A 40 27.379 31.132 26.064 1.00 0.00 H new ATOM 0 HD2 TYR A 40 27.184 33.309 22.349 1.00 0.00 H new ATOM 0 HE1 TYR A 40 28.763 32.954 27.047 1.00 0.00 H new ATOM 0 HE2 TYR A 40 28.580 35.114 23.321 1.00 0.00 H new ATOM 0 HH TYR A 40 30.486 34.860 25.763 1.00 0.00 H new ATOM 613 N CYS A 41 28.532 29.115 22.765 1.00 0.00 N ATOM 614 CA CYS A 41 29.892 28.548 22.687 1.00 0.00 C ATOM 615 C CYS A 41 30.994 29.632 22.760 1.00 0.00 C ATOM 616 O CYS A 41 31.431 30.188 21.747 1.00 0.00 O ATOM 617 CB CYS A 41 30.012 27.607 21.484 1.00 0.00 C ATOM 618 SG CYS A 41 31.497 26.573 21.605 1.00 0.00 S ATOM 0 H CYS A 41 28.235 29.593 21.914 1.00 0.00 H new ATOM 0 HA CYS A 41 30.062 27.939 23.575 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.128 26.972 21.426 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.046 28.191 20.564 1.00 0.00 H new ATOM 623 N TYR A 42 31.421 29.936 23.994 1.00 0.00 N ATOM 624 CA TYR A 42 32.355 31.025 24.349 1.00 0.00 C ATOM 625 C TYR A 42 33.818 30.567 24.511 1.00 0.00 C ATOM 626 O TYR A 42 34.752 31.365 24.385 1.00 0.00 O ATOM 627 CB TYR A 42 31.836 31.638 25.655 1.00 0.00 C ATOM 628 CG TYR A 42 32.545 32.881 26.163 1.00 0.00 C ATOM 629 CD1 TYR A 42 32.443 34.093 25.453 1.00 0.00 C ATOM 630 CD2 TYR A 42 33.219 32.849 27.399 1.00 0.00 C ATOM 631 CE1 TYR A 42 32.960 35.284 26.004 1.00 0.00 C ATOM 632 CE2 TYR A 42 33.747 34.033 27.946 1.00 0.00 C ATOM 633 CZ TYR A 42 33.596 35.258 27.263 1.00 0.00 C ATOM 634 OH TYR A 42 34.022 36.408 27.846 1.00 0.00 O ATOM 0 H TYR A 42 31.114 29.409 24.811 1.00 0.00 H new ATOM 0 HA TYR A 42 32.379 31.747 23.533 1.00 0.00 H new ATOM 0 HB2 TYR A 42 30.782 31.881 25.520 1.00 0.00 H new ATOM 0 HB3 TYR A 42 31.890 30.876 26.432 1.00 0.00 H new ATOM 0 HD1 TYR A 42 31.967 34.111 24.484 1.00 0.00 H new ATOM 0 HD2 TYR A 42 33.331 31.914 27.928 1.00 0.00 H new ATOM 0 HE1 TYR A 42 32.869 36.214 25.463 1.00 0.00 H new ATOM 0 HE2 TYR A 42 34.269 34.004 28.891 1.00 0.00 H new ATOM 0 HH TYR A 42 34.436 36.203 28.710 1.00 0.00 H new ATOM 644 N ALA A 43 34.012 29.274 24.776 1.00 0.00 N ATOM 645 CA ALA A 43 35.289 28.575 24.670 1.00 0.00 C ATOM 646 C ALA A 43 35.317 27.771 23.353 1.00 0.00 C ATOM 647 O ALA A 43 34.478 27.972 22.478 1.00 0.00 O ATOM 648 CB ALA A 43 35.452 27.713 25.934 1.00 0.00 C ATOM 0 H ALA A 43 33.254 28.664 25.082 1.00 0.00 H new ATOM 0 HA ALA A 43 36.138 29.256 24.624 1.00 0.00 H new ATOM 0 HB1 ALA A 43 36.399 27.175 25.888 1.00 0.00 H new ATOM 0 HB2 ALA A 43 35.441 28.354 26.815 1.00 0.00 H new ATOM 0 HB3 ALA A 43 34.631 26.998 25.995 1.00 0.00 H new ATOM 654 N PHE A 44 36.223 26.799 23.234 1.00 0.00 N ATOM 655 CA PHE A 44 36.177 25.772 22.180 1.00 0.00 C ATOM 656 C PHE A 44 34.937 24.852 22.264 1.00 0.00 C ATOM 657 O PHE A 44 34.655 24.098 21.326 1.00 0.00 O ATOM 658 CB PHE A 44 37.480 24.952 22.249 1.00 0.00 C ATOM 659 CG PHE A 44 37.786 24.374 23.623 1.00 0.00 C ATOM 660 CD1 PHE A 44 37.208 23.156 24.029 1.00 0.00 C ATOM 661 CD2 PHE A 44 38.627 25.071 24.514 1.00 0.00 C ATOM 662 CE1 PHE A 44 37.456 22.649 25.316 1.00 0.00 C ATOM 663 CE2 PHE A 44 38.880 24.562 25.801 1.00 0.00 C ATOM 664 CZ PHE A 44 38.285 23.354 26.205 1.00 0.00 C ATOM 0 H PHE A 44 37.016 26.698 23.868 1.00 0.00 H new ATOM 0 HA PHE A 44 36.089 26.279 21.219 1.00 0.00 H new ATOM 0 HB2 PHE A 44 37.420 24.135 21.530 1.00 0.00 H new ATOM 0 HB3 PHE A 44 38.311 25.587 21.942 1.00 0.00 H new ATOM 0 HD1 PHE A 44 36.572 22.609 23.349 1.00 0.00 H new ATOM 0 HD2 PHE A 44 39.080 26.002 24.207 1.00 0.00 H new ATOM 0 HE1 PHE A 44 37.008 21.715 25.623 1.00 0.00 H new ATOM 0 HE2 PHE A 44 39.530 25.098 26.477 1.00 0.00 H new ATOM 0 HZ PHE A 44 38.465 22.968 27.198 1.00 0.00 H new ATOM 674 N ALA A 45 34.218 24.911 23.388 1.00 0.00 N ATOM 675 CA ALA A 45 33.082 24.090 23.786 1.00 0.00 C ATOM 676 C ALA A 45 32.044 24.922 24.577 1.00 0.00 C ATOM 677 O ALA A 45 32.282 26.091 24.907 1.00 0.00 O ATOM 678 CB ALA A 45 33.648 22.923 24.604 1.00 0.00 C ATOM 0 H ALA A 45 34.441 25.600 24.106 1.00 0.00 H new ATOM 0 HA ALA A 45 32.544 23.708 22.918 1.00 0.00 H new ATOM 0 HB1 ALA A 45 32.833 22.276 24.927 1.00 0.00 H new ATOM 0 HB2 ALA A 45 34.343 22.351 23.989 1.00 0.00 H new ATOM 0 HB3 ALA A 45 34.171 23.311 25.478 1.00 0.00 H new ATOM 684 N CYS A 46 30.881 24.329 24.855 1.00 0.00 N ATOM 685 CA CYS A 46 29.713 25.018 25.412 1.00 0.00 C ATOM 686 C CYS A 46 29.914 25.701 26.787 1.00 0.00 C ATOM 687 O CYS A 46 30.598 25.202 27.682 1.00 0.00 O ATOM 688 CB CYS A 46 28.544 24.028 25.477 1.00 0.00 C ATOM 689 SG CYS A 46 27.800 23.559 23.892 1.00 0.00 S ATOM 0 H CYS A 46 30.721 23.334 24.696 1.00 0.00 H new ATOM 0 HA CYS A 46 29.511 25.848 24.735 1.00 0.00 H new ATOM 0 HB2 CYS A 46 28.890 23.122 25.974 1.00 0.00 H new ATOM 0 HB3 CYS A 46 27.765 24.459 26.106 1.00 0.00 H new ATOM 694 N TRP A 47 29.231 26.837 26.963 1.00 0.00 N ATOM 695 CA TRP A 47 29.282 27.732 28.124 1.00 0.00 C ATOM 696 C TRP A 47 27.860 28.144 28.538 1.00 0.00 C ATOM 697 O TRP A 47 27.059 28.532 27.684 1.00 0.00 O ATOM 698 CB TRP A 47 30.113 28.954 27.714 1.00 0.00 C ATOM 699 CG TRP A 47 30.445 29.957 28.775 1.00 0.00 C ATOM 700 CD1 TRP A 47 29.630 30.935 29.237 1.00 0.00 C ATOM 701 CD2 TRP A 47 31.716 30.138 29.469 1.00 0.00 C ATOM 702 NE1 TRP A 47 30.318 31.722 30.141 1.00 0.00 N ATOM 703 CE2 TRP A 47 31.609 31.279 30.318 1.00 0.00 C ATOM 704 CE3 TRP A 47 32.959 29.468 29.442 1.00 0.00 C ATOM 705 CZ2 TRP A 47 32.679 31.735 31.100 1.00 0.00 C ATOM 706 CZ3 TRP A 47 34.038 29.913 30.230 1.00 0.00 C ATOM 707 CH2 TRP A 47 33.901 31.041 31.058 1.00 0.00 C ATOM 0 H TRP A 47 28.585 27.178 26.251 1.00 0.00 H new ATOM 0 HA TRP A 47 29.736 27.238 28.983 1.00 0.00 H new ATOM 0 HB2 TRP A 47 31.049 28.595 27.287 1.00 0.00 H new ATOM 0 HB3 TRP A 47 29.578 29.472 26.918 1.00 0.00 H new ATOM 0 HD1 TRP A 47 28.600 31.078 28.944 1.00 0.00 H new ATOM 0 HE1 TRP A 47 29.919 32.531 30.618 1.00 0.00 H new ATOM 0 HE3 TRP A 47 33.084 28.602 28.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 32.566 32.608 31.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 34.979 29.383 30.198 1.00 0.00 H new ATOM 0 HH2 TRP A 47 34.733 31.374 31.661 1.00 0.00 H new ATOM 718 N CYS A 48 27.547 28.078 29.832 1.00 0.00 N ATOM 719 CA CYS A 48 26.211 28.342 30.376 1.00 0.00 C ATOM 720 C CYS A 48 26.093 29.741 31.001 1.00 0.00 C ATOM 721 O CYS A 48 27.067 30.298 31.512 1.00 0.00 O ATOM 722 CB CYS A 48 25.826 27.246 31.380 1.00 0.00 C ATOM 723 SG CYS A 48 25.826 25.540 30.758 1.00 0.00 S ATOM 0 H CYS A 48 28.230 27.834 30.549 1.00 0.00 H new ATOM 0 HA CYS A 48 25.507 28.322 29.544 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.513 27.301 32.225 1.00 0.00 H new ATOM 0 HB3 CYS A 48 24.830 27.469 31.763 1.00 0.00 H new ATOM 728 N THR A 49 24.886 30.307 30.969 1.00 0.00 N ATOM 729 CA THR A 49 24.580 31.700 31.349 1.00 0.00 C ATOM 730 C THR A 49 23.270 31.802 32.146 1.00 0.00 C ATOM 731 O THR A 49 22.502 30.840 32.219 1.00 0.00 O ATOM 732 CB THR A 49 24.541 32.598 30.095 1.00 0.00 C ATOM 733 OG1 THR A 49 23.597 32.127 29.161 1.00 0.00 O ATOM 734 CG2 THR A 49 25.893 32.645 29.375 1.00 0.00 C ATOM 0 H THR A 49 24.058 29.794 30.667 1.00 0.00 H new ATOM 0 HA THR A 49 25.377 32.051 32.005 1.00 0.00 H new ATOM 0 HB THR A 49 24.274 33.592 30.454 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.591 32.715 28.377 1.00 0.00 H new ATOM 0 HG21 THR A 49 25.817 33.289 28.499 1.00 0.00 H new ATOM 0 HG22 THR A 49 26.652 33.040 30.051 1.00 0.00 H new ATOM 0 HG23 THR A 49 26.174 31.639 29.062 1.00 0.00 H new ATOM 742 N HIS A 50 23.009 32.956 32.775 1.00 0.00 N ATOM 743 CA HIS A 50 21.826 33.214 33.626 1.00 0.00 C ATOM 744 C HIS A 50 21.628 32.225 34.798 1.00 0.00 C ATOM 745 O HIS A 50 20.503 31.976 35.247 1.00 0.00 O ATOM 746 CB HIS A 50 20.574 33.409 32.753 1.00 0.00 C ATOM 747 CG HIS A 50 20.720 34.529 31.750 1.00 0.00 C ATOM 748 ND1 HIS A 50 20.446 35.881 31.997 1.00 0.00 N ATOM 749 CD2 HIS A 50 21.123 34.390 30.455 1.00 0.00 C ATOM 750 CE1 HIS A 50 20.703 36.521 30.839 1.00 0.00 C ATOM 751 NE2 HIS A 50 21.112 35.650 29.902 1.00 0.00 N ATOM 0 H HIS A 50 23.629 33.763 32.708 1.00 0.00 H new ATOM 0 HA HIS A 50 22.020 34.150 34.150 1.00 0.00 H new ATOM 0 HB2 HIS A 50 20.359 32.481 32.224 1.00 0.00 H new ATOM 0 HB3 HIS A 50 19.718 33.614 33.396 1.00 0.00 H new ATOM 0 HD2 HIS A 50 21.397 33.470 29.960 1.00 0.00 H new ATOM 0 HE1 HIS A 50 20.595 37.585 30.686 1.00 0.00 H new ATOM 0 HE2 HIS A 50 21.371 35.883 28.943 1.00 0.00 H new ATOM 759 N LEU A 51 22.730 31.665 35.310 1.00 0.00 N ATOM 760 CA LEU A 51 22.767 30.716 36.428 1.00 0.00 C ATOM 761 C LEU A 51 22.581 31.410 37.789 1.00 0.00 C ATOM 762 O LEU A 51 22.897 32.597 37.931 1.00 0.00 O ATOM 763 CB LEU A 51 24.101 29.942 36.418 1.00 0.00 C ATOM 764 CG LEU A 51 24.474 29.238 35.100 1.00 0.00 C ATOM 765 CD1 LEU A 51 25.812 28.521 35.277 1.00 0.00 C ATOM 766 CD2 LEU A 51 23.420 28.217 34.676 1.00 0.00 C ATOM 0 H LEU A 51 23.659 31.869 34.941 1.00 0.00 H new ATOM 0 HA LEU A 51 21.934 30.026 36.294 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.901 30.637 36.672 1.00 0.00 H new ATOM 0 HB3 LEU A 51 24.067 29.192 37.208 1.00 0.00 H new ATOM 0 HG LEU A 51 24.538 30.000 34.323 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.082 28.020 34.347 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.583 29.247 35.535 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.727 27.783 36.075 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.725 27.746 33.742 1.00 0.00 H new ATOM 0 HD22 LEU A 51 23.318 27.456 35.450 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.463 28.720 34.533 1.00 0.00 H new ATOM 778 N TYR A 52 22.123 30.658 38.792 1.00 0.00 N ATOM 779 CA TYR A 52 22.013 31.072 40.200 1.00 0.00 C ATOM 780 C TYR A 52 22.725 30.066 41.141 1.00 0.00 C ATOM 781 O TYR A 52 23.444 29.174 40.683 1.00 0.00 O ATOM 782 CB TYR A 52 20.527 31.318 40.529 1.00 0.00 C ATOM 783 CG TYR A 52 20.270 32.031 41.849 1.00 0.00 C ATOM 784 CD1 TYR A 52 20.789 33.322 42.073 1.00 0.00 C ATOM 785 CD2 TYR A 52 19.540 31.393 42.870 1.00 0.00 C ATOM 786 CE1 TYR A 52 20.600 33.959 43.315 1.00 0.00 C ATOM 787 CE2 TYR A 52 19.359 32.019 44.117 1.00 0.00 C ATOM 788 CZ TYR A 52 19.890 33.303 44.343 1.00 0.00 C ATOM 789 OH TYR A 52 19.695 33.898 45.550 1.00 0.00 O ATOM 0 H TYR A 52 21.804 29.701 38.643 1.00 0.00 H new ATOM 0 HA TYR A 52 22.538 32.013 40.367 1.00 0.00 H new ATOM 0 HB2 TYR A 52 20.085 31.905 39.724 1.00 0.00 H new ATOM 0 HB3 TYR A 52 20.010 30.358 40.545 1.00 0.00 H new ATOM 0 HD1 TYR A 52 21.334 33.825 41.288 1.00 0.00 H new ATOM 0 HD2 TYR A 52 19.116 30.415 42.695 1.00 0.00 H new ATOM 0 HE1 TYR A 52 20.998 34.949 43.480 1.00 0.00 H new ATOM 0 HE2 TYR A 52 18.813 31.515 44.900 1.00 0.00 H new ATOM 0 HH TYR A 52 19.184 33.297 46.132 1.00 0.00 H new ATOM 799 N GLU A 53 22.597 30.217 42.464 1.00 0.00 N ATOM 800 CA GLU A 53 23.427 29.526 43.470 1.00 0.00 C ATOM 801 C GLU A 53 23.376 27.985 43.422 1.00 0.00 C ATOM 802 O GLU A 53 24.377 27.349 43.742 1.00 0.00 O ATOM 803 CB GLU A 53 23.050 30.007 44.884 1.00 0.00 C ATOM 804 CG GLU A 53 23.362 31.486 45.166 1.00 0.00 C ATOM 805 CD GLU A 53 24.864 31.793 45.120 1.00 0.00 C ATOM 806 OE1 GLU A 53 25.602 31.430 46.069 1.00 0.00 O ATOM 807 OE2 GLU A 53 25.322 32.413 44.129 1.00 0.00 O ATOM 0 H GLU A 53 21.900 30.835 42.879 1.00 0.00 H new ATOM 0 HA GLU A 53 24.454 29.793 43.219 1.00 0.00 H new ATOM 0 HB2 GLU A 53 21.984 29.839 45.037 1.00 0.00 H new ATOM 0 HB3 GLU A 53 23.578 29.393 45.614 1.00 0.00 H new ATOM 0 HG2 GLU A 53 22.846 32.108 44.435 1.00 0.00 H new ATOM 0 HG3 GLU A 53 22.970 31.755 46.147 1.00 0.00 H new ATOM 814 N GLN A 54 22.274 27.362 42.986 1.00 0.00 N ATOM 815 CA GLN A 54 22.142 25.895 42.901 1.00 0.00 C ATOM 816 C GLN A 54 22.950 25.233 41.762 1.00 0.00 C ATOM 817 O GLN A 54 23.016 24.001 41.697 1.00 0.00 O ATOM 818 CB GLN A 54 20.658 25.476 42.846 1.00 0.00 C ATOM 819 CG GLN A 54 19.883 25.875 41.569 1.00 0.00 C ATOM 820 CD GLN A 54 19.411 27.326 41.541 1.00 0.00 C ATOM 821 OE1 GLN A 54 19.587 28.094 42.475 1.00 0.00 O ATOM 822 NE2 GLN A 54 18.784 27.766 40.478 1.00 0.00 N ATOM 0 H GLN A 54 21.440 27.862 42.679 1.00 0.00 H new ATOM 0 HA GLN A 54 22.591 25.517 43.819 1.00 0.00 H new ATOM 0 HB2 GLN A 54 20.604 24.393 42.955 1.00 0.00 H new ATOM 0 HB3 GLN A 54 20.148 25.909 43.706 1.00 0.00 H new ATOM 0 HG2 GLN A 54 20.520 25.697 40.703 1.00 0.00 H new ATOM 0 HG3 GLN A 54 19.016 25.222 41.467 1.00 0.00 H new ATOM 0 HE21 GLN A 54 18.625 27.144 39.686 1.00 0.00 H new ATOM 0 HE22 GLN A 54 18.455 28.731 40.443 1.00 0.00 H new ATOM 831 N ALA A 55 23.541 26.025 40.861 1.00 0.00 N ATOM 832 CA ALA A 55 24.339 25.557 39.725 1.00 0.00 C ATOM 833 C ALA A 55 25.856 25.559 40.011 1.00 0.00 C ATOM 834 O ALA A 55 26.346 26.333 40.841 1.00 0.00 O ATOM 835 CB ALA A 55 23.989 26.418 38.507 1.00 0.00 C ATOM 0 H ALA A 55 23.474 27.042 40.905 1.00 0.00 H new ATOM 0 HA ALA A 55 24.091 24.514 39.529 1.00 0.00 H new ATOM 0 HB1 ALA A 55 24.572 26.087 37.648 1.00 0.00 H new ATOM 0 HB2 ALA A 55 22.927 26.319 38.284 1.00 0.00 H new ATOM 0 HB3 ALA A 55 24.219 27.462 38.721 1.00 0.00 H new ATOM 841 N VAL A 56 26.593 24.715 39.278 1.00 0.00 N ATOM 842 CA VAL A 56 28.062 24.562 39.318 1.00 0.00 C ATOM 843 C VAL A 56 28.659 24.783 37.921 1.00 0.00 C ATOM 844 O VAL A 56 28.050 24.378 36.927 1.00 0.00 O ATOM 845 CB VAL A 56 28.467 23.169 39.859 1.00 0.00 C ATOM 846 CG1 VAL A 56 29.988 23.019 40.001 1.00 0.00 C ATOM 847 CG2 VAL A 56 27.856 22.878 41.237 1.00 0.00 C ATOM 0 H VAL A 56 26.162 24.084 38.603 1.00 0.00 H new ATOM 0 HA VAL A 56 28.459 25.316 39.997 1.00 0.00 H new ATOM 0 HB VAL A 56 28.085 22.464 39.121 1.00 0.00 H new ATOM 0 HG11 VAL A 56 30.221 22.025 40.384 1.00 0.00 H new ATOM 0 HG12 VAL A 56 30.459 23.153 39.027 1.00 0.00 H new ATOM 0 HG13 VAL A 56 30.365 23.772 40.693 1.00 0.00 H new ATOM 0 HG21 VAL A 56 28.170 21.890 41.573 1.00 0.00 H new ATOM 0 HG22 VAL A 56 28.195 23.628 41.951 1.00 0.00 H new ATOM 0 HG23 VAL A 56 26.769 22.909 41.167 1.00 0.00 H new ATOM 857 N VAL A 57 29.860 25.364 37.836 1.00 0.00 N ATOM 858 CA VAL A 57 30.660 25.498 36.598 1.00 0.00 C ATOM 859 C VAL A 57 32.119 25.093 36.835 1.00 0.00 C ATOM 860 O VAL A 57 32.633 25.250 37.944 1.00 0.00 O ATOM 861 CB VAL A 57 30.578 26.920 36.007 1.00 0.00 C ATOM 862 CG1 VAL A 57 29.137 27.270 35.610 1.00 0.00 C ATOM 863 CG2 VAL A 57 31.122 28.001 36.952 1.00 0.00 C ATOM 0 H VAL A 57 30.324 25.769 38.649 1.00 0.00 H new ATOM 0 HA VAL A 57 30.229 24.815 35.866 1.00 0.00 H new ATOM 0 HB VAL A 57 31.214 26.908 35.122 1.00 0.00 H new ATOM 0 HG11 VAL A 57 29.108 28.278 35.196 1.00 0.00 H new ATOM 0 HG12 VAL A 57 28.783 26.561 34.862 1.00 0.00 H new ATOM 0 HG13 VAL A 57 28.495 27.220 36.489 1.00 0.00 H new ATOM 0 HG21 VAL A 57 31.035 28.978 36.476 1.00 0.00 H new ATOM 0 HG22 VAL A 57 30.548 27.997 37.879 1.00 0.00 H new ATOM 0 HG23 VAL A 57 32.170 27.797 37.173 1.00 0.00 H new ATOM 873 N TRP A 58 32.800 24.569 35.810 1.00 0.00 N ATOM 874 CA TRP A 58 34.174 24.053 35.926 1.00 0.00 C ATOM 875 C TRP A 58 35.261 25.083 35.533 1.00 0.00 C ATOM 876 O TRP A 58 35.071 25.833 34.574 1.00 0.00 O ATOM 877 CB TRP A 58 34.322 22.780 35.066 1.00 0.00 C ATOM 878 CG TRP A 58 34.105 21.434 35.702 1.00 0.00 C ATOM 879 CD1 TRP A 58 34.220 21.118 37.015 1.00 0.00 C ATOM 880 CD2 TRP A 58 33.778 20.174 35.028 1.00 0.00 C ATOM 881 NE1 TRP A 58 33.985 19.768 37.196 1.00 0.00 N ATOM 882 CE2 TRP A 58 33.716 19.135 36.004 1.00 0.00 C ATOM 883 CE3 TRP A 58 33.517 19.807 33.687 1.00 0.00 C ATOM 884 CZ2 TRP A 58 33.403 17.807 35.675 1.00 0.00 C ATOM 885 CZ3 TRP A 58 33.176 18.481 33.348 1.00 0.00 C ATOM 886 CH2 TRP A 58 33.110 17.486 34.339 1.00 0.00 C ATOM 0 H TRP A 58 32.413 24.489 34.869 1.00 0.00 H new ATOM 0 HA TRP A 58 34.334 23.827 36.980 1.00 0.00 H new ATOM 0 HB2 TRP A 58 33.625 22.865 34.232 1.00 0.00 H new ATOM 0 HB3 TRP A 58 35.327 22.785 34.643 1.00 0.00 H new ATOM 0 HD1 TRP A 58 34.460 21.817 37.803 1.00 0.00 H new ATOM 0 HE1 TRP A 58 34.008 19.299 38.101 1.00 0.00 H new ATOM 0 HE3 TRP A 58 33.580 20.554 32.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 33.388 17.043 36.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 32.964 18.228 32.320 1.00 0.00 H new ATOM 0 HH2 TRP A 58 32.834 16.476 34.074 1.00 0.00 H new ATOM 897 N PRO A 59 36.456 25.055 36.164 1.00 0.00 N ATOM 898 CA PRO A 59 37.654 25.788 35.719 1.00 0.00 C ATOM 899 C PRO A 59 38.448 25.060 34.608 1.00 0.00 C ATOM 900 O PRO A 59 39.507 25.528 34.175 1.00 0.00 O ATOM 901 CB PRO A 59 38.490 25.944 36.995 1.00 0.00 C ATOM 902 CG PRO A 59 38.210 24.640 37.742 1.00 0.00 C ATOM 903 CD PRO A 59 36.738 24.375 37.423 1.00 0.00 C ATOM 0 HA PRO A 59 37.385 26.740 35.262 1.00 0.00 H new ATOM 0 HB2 PRO A 59 39.550 26.063 36.772 1.00 0.00 H new ATOM 0 HB3 PRO A 59 38.186 26.816 37.574 1.00 0.00 H new ATOM 0 HG2 PRO A 59 38.851 23.830 37.395 1.00 0.00 H new ATOM 0 HG3 PRO A 59 38.379 24.744 38.814 1.00 0.00 H new ATOM 0 HD2 PRO A 59 36.547 23.305 37.337 1.00 0.00 H new ATOM 0 HD3 PRO A 59 36.095 24.751 38.219 1.00 0.00 H new ATOM 911 N LEU A 60 37.951 23.904 34.153 1.00 0.00 N ATOM 912 CA LEU A 60 38.627 22.916 33.300 1.00 0.00 C ATOM 913 C LEU A 60 39.230 23.408 31.958 1.00 0.00 C ATOM 914 O LEU A 60 40.246 22.831 31.570 1.00 0.00 O ATOM 915 CB LEU A 60 37.634 21.753 33.096 1.00 0.00 C ATOM 916 CG LEU A 60 38.181 20.499 32.384 1.00 0.00 C ATOM 917 CD1 LEU A 60 39.379 19.873 33.100 1.00 0.00 C ATOM 918 CD2 LEU A 60 37.069 19.451 32.331 1.00 0.00 C ATOM 0 H LEU A 60 37.002 23.613 34.386 1.00 0.00 H new ATOM 0 HA LEU A 60 39.533 22.618 33.828 1.00 0.00 H new ATOM 0 HB2 LEU A 60 37.255 21.453 34.073 1.00 0.00 H new ATOM 0 HB3 LEU A 60 36.784 22.126 32.525 1.00 0.00 H new ATOM 0 HG LEU A 60 38.512 20.811 31.393 1.00 0.00 H new ATOM 0 HD11 LEU A 60 39.715 18.995 32.548 1.00 0.00 H new ATOM 0 HD12 LEU A 60 40.190 20.599 33.156 1.00 0.00 H new ATOM 0 HD13 LEU A 60 39.087 19.578 34.108 1.00 0.00 H new ATOM 0 HD21 LEU A 60 37.437 18.555 31.830 1.00 0.00 H new ATOM 0 HD22 LEU A 60 36.758 19.198 33.345 1.00 0.00 H new ATOM 0 HD23 LEU A 60 36.218 19.851 31.780 1.00 0.00 H new ATOM 930 N PRO A 61 38.734 24.460 31.260 1.00 0.00 N ATOM 931 CA PRO A 61 39.313 24.922 29.985 1.00 0.00 C ATOM 932 C PRO A 61 40.799 25.323 30.018 1.00 0.00 C ATOM 933 O PRO A 61 41.398 25.542 28.959 1.00 0.00 O ATOM 934 CB PRO A 61 38.439 26.096 29.531 1.00 0.00 C ATOM 935 CG PRO A 61 37.082 25.753 30.129 1.00 0.00 C ATOM 936 CD PRO A 61 37.471 25.156 31.478 1.00 0.00 C ATOM 0 HA PRO A 61 39.310 24.082 29.290 1.00 0.00 H new ATOM 0 HB2 PRO A 61 38.816 27.049 29.902 1.00 0.00 H new ATOM 0 HB3 PRO A 61 38.395 26.172 28.445 1.00 0.00 H new ATOM 0 HG2 PRO A 61 36.451 26.635 30.240 1.00 0.00 H new ATOM 0 HG3 PRO A 61 36.532 25.043 29.512 1.00 0.00 H new ATOM 0 HD2 PRO A 61 37.580 25.935 32.233 1.00 0.00 H new ATOM 0 HD3 PRO A 61 36.704 24.470 31.837 1.00 0.00 H new ATOM 944 N ASN A 62 41.415 25.391 31.202 1.00 0.00 N ATOM 945 CA ASN A 62 42.853 25.581 31.374 1.00 0.00 C ATOM 946 C ASN A 62 43.701 24.410 30.822 1.00 0.00 C ATOM 947 O ASN A 62 44.854 24.645 30.441 1.00 0.00 O ATOM 948 CB ASN A 62 43.145 25.867 32.865 1.00 0.00 C ATOM 949 CG ASN A 62 43.174 24.627 33.745 1.00 0.00 C ATOM 950 OD1 ASN A 62 44.186 23.953 33.852 1.00 0.00 O ATOM 951 ND2 ASN A 62 42.084 24.260 34.376 1.00 0.00 N ATOM 0 H ASN A 62 40.913 25.313 32.087 1.00 0.00 H new ATOM 0 HA ASN A 62 43.156 26.439 30.775 1.00 0.00 H new ATOM 0 HB2 ASN A 62 44.105 26.377 32.944 1.00 0.00 H new ATOM 0 HB3 ASN A 62 42.388 26.552 33.247 1.00 0.00 H new ATOM 0 HD21 ASN A 62 42.087 23.417 34.951 1.00 0.00 H new ATOM 0 HD22 ASN A 62 41.234 24.817 34.292 1.00 0.00 H new ATOM 958 N LYS A 63 43.156 23.181 30.750 1.00 0.00 N ATOM 959 CA LYS A 63 43.882 21.953 30.361 1.00 0.00 C ATOM 960 C LYS A 63 43.095 20.999 29.446 1.00 0.00 C ATOM 961 O LYS A 63 41.877 21.104 29.295 1.00 0.00 O ATOM 962 CB LYS A 63 44.388 21.224 31.620 1.00 0.00 C ATOM 963 CG LYS A 63 43.280 20.687 32.546 1.00 0.00 C ATOM 964 CD LYS A 63 43.820 19.619 33.507 1.00 0.00 C ATOM 965 CE LYS A 63 44.955 20.140 34.399 1.00 0.00 C ATOM 966 NZ LYS A 63 45.625 19.030 35.113 1.00 0.00 N ATOM 0 H LYS A 63 42.174 23.008 30.966 1.00 0.00 H new ATOM 0 HA LYS A 63 44.725 22.282 29.753 1.00 0.00 H new ATOM 0 HB2 LYS A 63 45.019 20.391 31.311 1.00 0.00 H new ATOM 0 HB3 LYS A 63 45.018 21.907 32.189 1.00 0.00 H new ATOM 0 HG2 LYS A 63 42.852 21.510 33.118 1.00 0.00 H new ATOM 0 HG3 LYS A 63 42.475 20.264 31.945 1.00 0.00 H new ATOM 0 HD2 LYS A 63 43.006 19.258 34.136 1.00 0.00 H new ATOM 0 HD3 LYS A 63 44.179 18.767 32.931 1.00 0.00 H new ATOM 0 HE2 LYS A 63 45.683 20.677 33.790 1.00 0.00 H new ATOM 0 HE3 LYS A 63 44.556 20.853 35.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 46.388 19.411 35.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 44.933 18.534 35.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 46.025 18.364 34.422 1.00 0.00 H new ATOM 980 N THR A 64 43.808 20.039 28.857 1.00 0.00 N ATOM 981 CA THR A 64 43.261 18.897 28.113 1.00 0.00 C ATOM 982 C THR A 64 42.803 17.775 29.058 1.00 0.00 C ATOM 983 O THR A 64 43.165 17.748 30.238 1.00 0.00 O ATOM 984 CB THR A 64 44.290 18.351 27.107 1.00 0.00 C ATOM 985 OG1 THR A 64 45.376 17.731 27.756 1.00 0.00 O ATOM 986 CG2 THR A 64 44.855 19.418 26.171 1.00 0.00 C ATOM 0 H THR A 64 44.828 20.033 28.885 1.00 0.00 H new ATOM 0 HA THR A 64 42.390 19.257 27.565 1.00 0.00 H new ATOM 0 HB THR A 64 43.732 17.626 26.514 1.00 0.00 H new ATOM 0 HG1 THR A 64 46.008 17.395 27.087 1.00 0.00 H new ATOM 0 HG21 THR A 64 45.573 18.961 25.490 1.00 0.00 H new ATOM 0 HG22 THR A 64 44.044 19.865 25.596 1.00 0.00 H new ATOM 0 HG23 THR A 64 45.352 20.191 26.758 1.00 0.00 H new ATOM 994 N CYS A 65 42.000 16.838 28.548 1.00 0.00 N ATOM 995 CA CYS A 65 41.389 15.763 29.336 1.00 0.00 C ATOM 996 C CYS A 65 41.301 14.393 28.629 1.00 0.00 C ATOM 997 O CYS A 65 40.836 13.425 29.245 1.00 0.00 O ATOM 998 CB CYS A 65 40.010 16.248 29.792 1.00 0.00 C ATOM 999 SG CYS A 65 38.851 16.501 28.429 1.00 0.00 S ATOM 0 H CYS A 65 41.752 16.804 27.559 1.00 0.00 H new ATOM 0 HA CYS A 65 42.046 15.565 30.183 1.00 0.00 H new ATOM 0 HB2 CYS A 65 39.589 15.521 30.487 1.00 0.00 H new ATOM 0 HB3 CYS A 65 40.125 17.183 30.340 1.00 0.00 H new ATOM 1004 N ASN A 66 41.756 14.281 27.373 1.00 0.00 N ATOM 1005 CA ASN A 66 41.931 12.992 26.694 1.00 0.00 C ATOM 1006 C ASN A 66 43.166 12.224 27.206 1.00 0.00 C ATOM 1007 O ASN A 66 44.043 12.774 27.872 1.00 0.00 O ATOM 1008 CB ASN A 66 41.923 13.177 25.161 1.00 0.00 C ATOM 1009 CG ASN A 66 43.197 13.782 24.588 1.00 0.00 C ATOM 1010 OD1 ASN A 66 43.692 14.807 25.040 1.00 0.00 O ATOM 1011 ND2 ASN A 66 43.797 13.170 23.595 1.00 0.00 N ATOM 0 H ASN A 66 42.013 15.084 26.799 1.00 0.00 H new ATOM 0 HA ASN A 66 41.078 12.361 26.944 1.00 0.00 H new ATOM 0 HB2 ASN A 66 41.754 12.207 24.692 1.00 0.00 H new ATOM 0 HB3 ASN A 66 41.081 13.813 24.890 1.00 0.00 H new ATOM 0 HD21 ASN A 66 44.663 13.549 23.211 1.00 0.00 H new ATOM 0 HD22 ASN A 66 43.398 12.315 23.207 1.00 0.00 H new HETATM 1018 N NH2 A 67 43.248 10.938 26.907 1.00 0.00 N TER 1021 NH2 A 67