USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=17 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 13 LYS NZ :NH3+ -152:sc= 2.46 (180deg=0.729) USER MOD Set 1.2: A 32 GLN : amide:sc= 1.04 K(o=3.5,f=-2.9) USER MOD Set 2.1: A 7 SER OG : rot 129:sc= 0.663 USER MOD Set 2.2: A 10 THR OG1 : rot 180:sc= 0.339 USER MOD Single : A 1 LYS N :NH3+ -168:sc= 2.37 (180deg=2.22) USER MOD Single : A 1 LYS NZ :NH3+ -146:sc= 1.43 (180deg=1.03) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.65 K(o=0.65,f=-4!) USER MOD Single : A 24 TYR OH : rot 143:sc= 0.832 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 33 TYR OH : rot -173:sc= 1.2 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 92:sc= 1.29 USER MOD Single : A 40 TYR OH : rot 30:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.2) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) 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=-0.0084) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 24.708 34.622 37.539 1.00 0.00 N ATOM 2 CA LYS A 1 25.954 33.837 37.432 1.00 0.00 C ATOM 3 C LYS A 1 26.014 33.168 36.061 1.00 0.00 C ATOM 4 O LYS A 1 24.981 32.822 35.496 1.00 0.00 O ATOM 5 CB LYS A 1 26.068 32.830 38.598 1.00 0.00 C ATOM 6 CG LYS A 1 27.420 32.091 38.635 1.00 0.00 C ATOM 7 CD LYS A 1 27.569 31.086 39.788 1.00 0.00 C ATOM 8 CE LYS A 1 27.543 31.746 41.171 1.00 0.00 C ATOM 9 NZ LYS A 1 27.909 30.778 42.227 1.00 0.00 N ATOM 0 H1 LYS A 1 24.755 35.236 38.377 1.00 0.00 H new ATOM 0 H2 LYS A 1 24.592 35.207 36.687 1.00 0.00 H new ATOM 0 H3 LYS A 1 23.898 33.976 37.628 1.00 0.00 H new ATOM 0 HA LYS A 1 26.818 34.497 37.516 1.00 0.00 H new ATOM 0 HB2 LYS A 1 25.925 33.358 39.541 1.00 0.00 H new ATOM 0 HB3 LYS A 1 25.264 32.098 38.517 1.00 0.00 H new ATOM 0 HG2 LYS A 1 27.557 31.564 37.691 1.00 0.00 H new ATOM 0 HG3 LYS A 1 28.220 32.828 38.707 1.00 0.00 H new ATOM 0 HD2 LYS A 1 26.766 30.352 39.728 1.00 0.00 H new ATOM 0 HD3 LYS A 1 28.507 30.543 39.669 1.00 0.00 H new ATOM 0 HE2 LYS A 1 28.235 32.588 41.189 1.00 0.00 H new ATOM 0 HE3 LYS A 1 26.548 32.146 41.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 27.375 30.992 43.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 27.681 29.814 41.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 28.928 30.846 42.422 1.00 0.00 H new ATOM 25 N GLU A 2 27.213 32.949 35.531 1.00 0.00 N ATOM 26 CA GLU A 2 27.485 32.167 34.318 1.00 0.00 C ATOM 27 C GLU A 2 28.645 31.182 34.577 1.00 0.00 C ATOM 28 O GLU A 2 29.410 31.367 35.530 1.00 0.00 O ATOM 29 CB GLU A 2 27.794 33.112 33.142 1.00 0.00 C ATOM 30 CG GLU A 2 26.749 34.227 32.961 1.00 0.00 C ATOM 31 CD GLU A 2 26.952 35.084 31.708 1.00 0.00 C ATOM 32 OE1 GLU A 2 28.041 35.041 31.087 1.00 0.00 O ATOM 33 OE2 GLU A 2 25.997 35.818 31.345 1.00 0.00 O ATOM 0 H GLU A 2 28.063 33.326 35.950 1.00 0.00 H new ATOM 0 HA GLU A 2 26.603 31.583 34.054 1.00 0.00 H new ATOM 0 HB2 GLU A 2 28.773 33.564 33.297 1.00 0.00 H new ATOM 0 HB3 GLU A 2 27.854 32.529 32.223 1.00 0.00 H new ATOM 0 HG2 GLU A 2 25.757 33.776 32.922 1.00 0.00 H new ATOM 0 HG3 GLU A 2 26.771 34.875 33.837 1.00 0.00 H new ATOM 40 N GLY A 3 28.779 30.125 33.772 1.00 0.00 N ATOM 41 CA GLY A 3 29.819 29.102 33.962 1.00 0.00 C ATOM 42 C GLY A 3 29.860 28.048 32.853 1.00 0.00 C ATOM 43 O GLY A 3 28.950 27.961 32.030 1.00 0.00 O ATOM 0 H GLY A 3 28.172 29.951 32.971 1.00 0.00 H new ATOM 0 HA2 GLY A 3 30.791 29.592 34.021 1.00 0.00 H new ATOM 0 HA3 GLY A 3 29.655 28.604 34.918 1.00 0.00 H new ATOM 47 N TYR A 4 30.903 27.218 32.818 1.00 0.00 N ATOM 48 CA TYR A 4 31.044 26.144 31.836 1.00 0.00 C ATOM 49 C TYR A 4 29.925 25.092 31.959 1.00 0.00 C ATOM 50 O TYR A 4 29.479 24.746 33.059 1.00 0.00 O ATOM 51 CB TYR A 4 32.436 25.511 31.979 1.00 0.00 C ATOM 52 CG TYR A 4 33.565 26.311 31.348 1.00 0.00 C ATOM 53 CD1 TYR A 4 33.703 26.356 29.945 1.00 0.00 C ATOM 54 CD2 TYR A 4 34.483 27.008 32.159 1.00 0.00 C ATOM 55 CE1 TYR A 4 34.746 27.099 29.357 1.00 0.00 C ATOM 56 CE2 TYR A 4 35.517 27.767 31.574 1.00 0.00 C ATOM 57 CZ TYR A 4 35.650 27.816 30.170 1.00 0.00 C ATOM 58 OH TYR A 4 36.642 28.549 29.594 1.00 0.00 O ATOM 0 H TYR A 4 31.680 27.273 33.476 1.00 0.00 H new ATOM 0 HA TYR A 4 30.945 26.570 30.838 1.00 0.00 H new ATOM 0 HB2 TYR A 4 32.652 25.377 33.039 1.00 0.00 H new ATOM 0 HB3 TYR A 4 32.417 24.518 31.529 1.00 0.00 H new ATOM 0 HD1 TYR A 4 33.006 25.819 29.319 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.394 26.960 33.234 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.854 27.120 28.283 1.00 0.00 H new ATOM 0 HE2 TYR A 4 36.208 28.311 32.201 1.00 0.00 H new ATOM 0 HH TYR A 4 37.176 28.982 30.292 1.00 0.00 H new ATOM 68 N LEU A 5 29.491 24.534 30.823 1.00 0.00 N ATOM 69 CA LEU A 5 28.654 23.330 30.801 1.00 0.00 C ATOM 70 C LEU A 5 29.443 22.155 31.402 1.00 0.00 C ATOM 71 O LEU A 5 30.575 21.902 30.983 1.00 0.00 O ATOM 72 CB LEU A 5 28.196 23.035 29.358 1.00 0.00 C ATOM 73 CG LEU A 5 27.297 21.786 29.240 1.00 0.00 C ATOM 74 CD1 LEU A 5 25.920 21.969 29.879 1.00 0.00 C ATOM 75 CD2 LEU A 5 27.107 21.415 27.771 1.00 0.00 C ATOM 0 H LEU A 5 29.709 24.903 29.897 1.00 0.00 H new ATOM 0 HA LEU A 5 27.759 23.483 31.404 1.00 0.00 H new ATOM 0 HB2 LEU A 5 27.655 23.900 28.973 1.00 0.00 H new ATOM 0 HB3 LEU A 5 29.074 22.901 28.727 1.00 0.00 H new ATOM 0 HG LEU A 5 27.810 20.991 29.782 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.339 21.054 29.760 1.00 0.00 H new ATOM 0 HD12 LEU A 5 26.038 22.189 30.940 1.00 0.00 H new ATOM 0 HD13 LEU A 5 25.400 22.794 29.393 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.471 20.533 27.698 1.00 0.00 H new ATOM 0 HD22 LEU A 5 26.637 22.245 27.244 1.00 0.00 H new ATOM 0 HD23 LEU A 5 28.077 21.202 27.321 1.00 0.00 H new ATOM 87 N VAL A 6 28.837 21.449 32.362 1.00 0.00 N ATOM 88 CA VAL A 6 29.464 20.384 33.163 1.00 0.00 C ATOM 89 C VAL A 6 28.996 18.982 32.752 1.00 0.00 C ATOM 90 O VAL A 6 27.860 18.789 32.323 1.00 0.00 O ATOM 91 CB VAL A 6 29.269 20.665 34.670 1.00 0.00 C ATOM 92 CG1 VAL A 6 27.798 20.690 35.104 1.00 0.00 C ATOM 93 CG2 VAL A 6 30.026 19.667 35.556 1.00 0.00 C ATOM 0 H VAL A 6 27.861 21.606 32.614 1.00 0.00 H new ATOM 0 HA VAL A 6 30.535 20.395 32.959 1.00 0.00 H new ATOM 0 HB VAL A 6 29.684 21.663 34.810 1.00 0.00 H new ATOM 0 HG11 VAL A 6 27.738 20.892 36.173 1.00 0.00 H new ATOM 0 HG12 VAL A 6 27.270 21.471 34.556 1.00 0.00 H new ATOM 0 HG13 VAL A 6 27.339 19.724 34.891 1.00 0.00 H new ATOM 0 HG21 VAL A 6 29.855 19.909 36.605 1.00 0.00 H new ATOM 0 HG22 VAL A 6 29.669 18.657 35.354 1.00 0.00 H new ATOM 0 HG23 VAL A 6 31.093 19.724 35.339 1.00 0.00 H new ATOM 103 N SER A 7 29.888 17.999 32.876 1.00 0.00 N ATOM 104 CA SER A 7 29.645 16.573 32.625 1.00 0.00 C ATOM 105 C SER A 7 28.985 15.836 33.800 1.00 0.00 C ATOM 106 O SER A 7 29.166 16.190 34.970 1.00 0.00 O ATOM 107 CB SER A 7 30.988 15.923 32.305 1.00 0.00 C ATOM 108 OG SER A 7 30.884 14.534 32.048 1.00 0.00 O ATOM 0 H SER A 7 30.848 18.182 33.169 1.00 0.00 H new ATOM 0 HA SER A 7 28.942 16.498 31.796 1.00 0.00 H new ATOM 0 HB2 SER A 7 31.426 16.416 31.437 1.00 0.00 H new ATOM 0 HB3 SER A 7 31.670 16.082 33.140 1.00 0.00 H new ATOM 0 HG SER A 7 31.332 14.323 31.202 1.00 0.00 H new ATOM 114 N LYS A 8 28.277 14.745 33.488 1.00 0.00 N ATOM 115 CA LYS A 8 27.795 13.749 34.460 1.00 0.00 C ATOM 116 C LYS A 8 28.813 12.637 34.773 1.00 0.00 C ATOM 117 O LYS A 8 28.700 12.009 35.828 1.00 0.00 O ATOM 118 CB LYS A 8 26.472 13.152 33.941 1.00 0.00 C ATOM 119 CG LYS A 8 25.337 14.193 33.926 1.00 0.00 C ATOM 120 CD LYS A 8 23.984 13.607 33.495 1.00 0.00 C ATOM 121 CE LYS A 8 23.926 13.286 31.995 1.00 0.00 C ATOM 122 NZ LYS A 8 22.584 12.785 31.621 1.00 0.00 N ATOM 0 H LYS A 8 28.015 14.522 32.528 1.00 0.00 H new ATOM 0 HA LYS A 8 27.640 14.266 35.407 1.00 0.00 H new ATOM 0 HB2 LYS A 8 26.620 12.763 32.934 1.00 0.00 H new ATOM 0 HB3 LYS A 8 26.183 12.309 34.569 1.00 0.00 H new ATOM 0 HG2 LYS A 8 25.237 14.627 34.921 1.00 0.00 H new ATOM 0 HG3 LYS A 8 25.606 15.005 33.250 1.00 0.00 H new ATOM 0 HD2 LYS A 8 23.789 12.698 34.064 1.00 0.00 H new ATOM 0 HD3 LYS A 8 23.192 14.314 33.742 1.00 0.00 H new ATOM 0 HE2 LYS A 8 24.161 14.180 31.417 1.00 0.00 H new ATOM 0 HE3 LYS A 8 24.681 12.539 31.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 22.564 12.573 30.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 22.374 11.920 32.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 21.870 13.509 31.838 1.00 0.00 H new ATOM 136 N SER A 9 29.771 12.363 33.880 1.00 0.00 N ATOM 137 CA SER A 9 30.470 11.060 33.818 1.00 0.00 C ATOM 138 C SER A 9 31.954 11.100 33.415 1.00 0.00 C ATOM 139 O SER A 9 32.770 10.399 34.021 1.00 0.00 O ATOM 140 CB SER A 9 29.703 10.156 32.843 1.00 0.00 C ATOM 141 OG SER A 9 29.503 10.795 31.594 1.00 0.00 O ATOM 0 H SER A 9 30.088 13.032 33.178 1.00 0.00 H new ATOM 0 HA SER A 9 30.479 10.681 34.840 1.00 0.00 H new ATOM 0 HB2 SER A 9 30.255 9.228 32.694 1.00 0.00 H new ATOM 0 HB3 SER A 9 28.739 9.888 33.275 1.00 0.00 H new ATOM 0 HG SER A 9 29.014 10.194 30.994 1.00 0.00 H new ATOM 147 N THR A 10 32.344 11.915 32.432 1.00 0.00 N ATOM 148 CA THR A 10 33.737 12.024 31.940 1.00 0.00 C ATOM 149 C THR A 10 34.493 13.215 32.535 1.00 0.00 C ATOM 150 O THR A 10 35.727 13.248 32.526 1.00 0.00 O ATOM 151 CB THR A 10 33.777 12.154 30.410 1.00 0.00 C ATOM 152 OG1 THR A 10 33.171 13.365 30.031 1.00 0.00 O ATOM 153 CG2 THR A 10 33.056 11.020 29.683 1.00 0.00 C ATOM 0 H THR A 10 31.697 12.532 31.941 1.00 0.00 H new ATOM 0 HA THR A 10 34.227 11.105 32.261 1.00 0.00 H new ATOM 0 HB THR A 10 34.829 12.115 30.126 1.00 0.00 H new ATOM 0 HG1 THR A 10 33.196 13.452 29.055 1.00 0.00 H new ATOM 0 HG21 THR A 10 33.124 11.176 28.606 1.00 0.00 H new ATOM 0 HG22 THR A 10 33.521 10.069 29.942 1.00 0.00 H new ATOM 0 HG23 THR A 10 32.008 11.005 29.982 1.00 0.00 H new ATOM 161 N GLY A 11 33.769 14.218 33.041 1.00 0.00 N ATOM 162 CA GLY A 11 34.318 15.526 33.401 1.00 0.00 C ATOM 163 C GLY A 11 34.479 16.488 32.213 1.00 0.00 C ATOM 164 O GLY A 11 34.987 17.588 32.420 1.00 0.00 O ATOM 0 H GLY A 11 32.767 14.141 33.214 1.00 0.00 H new ATOM 0 HA2 GLY A 11 33.668 15.989 34.144 1.00 0.00 H new ATOM 0 HA3 GLY A 11 35.290 15.383 33.873 1.00 0.00 H new ATOM 168 N CYS A 12 34.053 16.126 30.996 1.00 0.00 N ATOM 169 CA CYS A 12 34.191 16.938 29.778 1.00 0.00 C ATOM 170 C CYS A 12 32.950 16.821 28.859 1.00 0.00 C ATOM 171 O CYS A 12 32.156 15.885 28.978 1.00 0.00 O ATOM 172 CB CYS A 12 35.498 16.504 29.099 1.00 0.00 C ATOM 173 SG CYS A 12 35.966 17.329 27.552 1.00 0.00 S ATOM 0 H CYS A 12 33.589 15.234 30.826 1.00 0.00 H new ATOM 0 HA CYS A 12 34.242 18.000 30.020 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.309 16.647 29.813 1.00 0.00 H new ATOM 0 HB3 CYS A 12 35.433 15.434 28.901 1.00 0.00 H new ATOM 178 N LYS A 13 32.747 17.791 27.964 1.00 0.00 N ATOM 179 CA LYS A 13 31.592 17.903 27.048 1.00 0.00 C ATOM 180 C LYS A 13 32.025 18.004 25.574 1.00 0.00 C ATOM 181 O LYS A 13 33.222 18.059 25.271 1.00 0.00 O ATOM 182 CB LYS A 13 30.729 19.092 27.516 1.00 0.00 C ATOM 183 CG LYS A 13 29.857 18.769 28.747 1.00 0.00 C ATOM 184 CD LYS A 13 28.637 17.900 28.387 1.00 0.00 C ATOM 185 CE LYS A 13 27.564 17.928 29.482 1.00 0.00 C ATOM 186 NZ LYS A 13 26.266 17.418 28.990 1.00 0.00 N ATOM 0 H LYS A 13 33.409 18.558 27.847 1.00 0.00 H new ATOM 0 HA LYS A 13 30.992 16.994 27.089 1.00 0.00 H new ATOM 0 HB2 LYS A 13 31.380 19.933 27.752 1.00 0.00 H new ATOM 0 HB3 LYS A 13 30.084 19.408 26.696 1.00 0.00 H new ATOM 0 HG2 LYS A 13 30.462 18.252 29.492 1.00 0.00 H new ATOM 0 HG3 LYS A 13 29.516 19.699 29.202 1.00 0.00 H new ATOM 0 HD2 LYS A 13 28.206 18.252 27.449 1.00 0.00 H new ATOM 0 HD3 LYS A 13 28.961 16.872 28.224 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.893 17.327 30.330 1.00 0.00 H new ATOM 0 HE3 LYS A 13 27.440 18.949 29.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 25.493 17.860 29.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 26.162 17.648 27.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 26.228 16.386 29.115 1.00 0.00 H new ATOM 200 N TYR A 14 31.068 18.019 24.640 1.00 0.00 N ATOM 201 CA TYR A 14 31.377 18.018 23.203 1.00 0.00 C ATOM 202 C TYR A 14 31.881 19.391 22.751 1.00 0.00 C ATOM 203 O TYR A 14 31.297 20.414 23.111 1.00 0.00 O ATOM 204 CB TYR A 14 30.164 17.594 22.354 1.00 0.00 C ATOM 205 CG TYR A 14 29.723 16.150 22.517 1.00 0.00 C ATOM 206 CD1 TYR A 14 30.577 15.103 22.111 1.00 0.00 C ATOM 207 CD2 TYR A 14 28.451 15.847 23.043 1.00 0.00 C ATOM 208 CE1 TYR A 14 30.177 13.761 22.266 1.00 0.00 C ATOM 209 CE2 TYR A 14 28.051 14.506 23.204 1.00 0.00 C ATOM 210 CZ TYR A 14 28.920 13.457 22.828 1.00 0.00 C ATOM 211 OH TYR A 14 28.560 12.165 23.034 1.00 0.00 O ATOM 0 H TYR A 14 30.070 18.032 24.852 1.00 0.00 H new ATOM 0 HA TYR A 14 32.167 17.283 23.048 1.00 0.00 H new ATOM 0 HB2 TYR A 14 29.324 18.242 22.603 1.00 0.00 H new ATOM 0 HB3 TYR A 14 30.400 17.767 21.304 1.00 0.00 H new ATOM 0 HD1 TYR A 14 31.541 15.331 21.680 1.00 0.00 H new ATOM 0 HD2 TYR A 14 27.781 16.646 23.324 1.00 0.00 H new ATOM 0 HE1 TYR A 14 30.835 12.963 21.954 1.00 0.00 H new ATOM 0 HE2 TYR A 14 27.079 14.279 23.615 1.00 0.00 H new ATOM 0 HH TYR A 14 27.664 12.134 23.429 1.00 0.00 H new ATOM 221 N GLU A 15 32.934 19.428 21.933 1.00 0.00 N ATOM 222 CA GLU A 15 33.367 20.682 21.304 1.00 0.00 C ATOM 223 C GLU A 15 32.394 21.115 20.194 1.00 0.00 C ATOM 224 O GLU A 15 31.741 20.280 19.556 1.00 0.00 O ATOM 225 CB GLU A 15 34.829 20.619 20.832 1.00 0.00 C ATOM 226 CG GLU A 15 35.077 19.698 19.634 1.00 0.00 C ATOM 227 CD GLU A 15 36.559 19.714 19.256 1.00 0.00 C ATOM 228 OE1 GLU A 15 37.344 18.903 19.807 1.00 0.00 O ATOM 229 OE2 GLU A 15 36.959 20.556 18.413 1.00 0.00 O ATOM 0 H GLU A 15 33.499 18.614 21.691 1.00 0.00 H new ATOM 0 HA GLU A 15 33.337 21.461 22.066 1.00 0.00 H new ATOM 0 HB2 GLU A 15 35.156 21.626 20.572 1.00 0.00 H new ATOM 0 HB3 GLU A 15 35.451 20.286 21.663 1.00 0.00 H new ATOM 0 HG2 GLU A 15 34.767 18.682 19.876 1.00 0.00 H new ATOM 0 HG3 GLU A 15 34.474 20.022 18.786 1.00 0.00 H new ATOM 236 N CYS A 16 32.277 22.423 19.970 1.00 0.00 N ATOM 237 CA CYS A 16 31.321 23.006 19.030 1.00 0.00 C ATOM 238 C CYS A 16 31.866 23.136 17.596 1.00 0.00 C ATOM 239 O CYS A 16 33.070 23.031 17.340 1.00 0.00 O ATOM 240 CB CYS A 16 30.805 24.330 19.607 1.00 0.00 C ATOM 241 SG CYS A 16 31.961 25.719 19.517 1.00 0.00 S ATOM 0 H CYS A 16 32.853 23.118 20.444 1.00 0.00 H new ATOM 0 HA CYS A 16 30.481 22.320 18.920 1.00 0.00 H new ATOM 0 HB2 CYS A 16 29.891 24.605 19.080 1.00 0.00 H new ATOM 0 HB3 CYS A 16 30.535 24.171 20.651 1.00 0.00 H new ATOM 246 N LEU A 17 30.944 23.373 16.657 1.00 0.00 N ATOM 247 CA LEU A 17 31.196 23.557 15.226 1.00 0.00 C ATOM 248 C LEU A 17 31.411 25.036 14.861 1.00 0.00 C ATOM 249 O LEU A 17 32.223 25.330 13.979 1.00 0.00 O ATOM 250 CB LEU A 17 30.006 22.972 14.433 1.00 0.00 C ATOM 251 CG LEU A 17 29.642 21.506 14.745 1.00 0.00 C ATOM 252 CD1 LEU A 17 28.436 21.076 13.910 1.00 0.00 C ATOM 253 CD2 LEU A 17 30.797 20.547 14.458 1.00 0.00 C ATOM 0 H LEU A 17 29.953 23.445 16.887 1.00 0.00 H new ATOM 0 HA LEU A 17 32.116 23.033 14.966 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.129 23.592 14.622 1.00 0.00 H new ATOM 0 HB3 LEU A 17 30.229 23.052 13.369 1.00 0.00 H new ATOM 0 HG LEU A 17 29.412 21.459 15.809 1.00 0.00 H new ATOM 0 HD11 LEU A 17 28.187 20.040 14.137 1.00 0.00 H new ATOM 0 HD12 LEU A 17 27.584 21.714 14.146 1.00 0.00 H new ATOM 0 HD13 LEU A 17 28.676 21.167 12.851 1.00 0.00 H new ATOM 0 HD21 LEU A 17 30.491 19.528 14.694 1.00 0.00 H new ATOM 0 HD22 LEU A 17 31.069 20.610 13.404 1.00 0.00 H new ATOM 0 HD23 LEU A 17 31.656 20.819 15.071 1.00 0.00 H new ATOM 265 N LYS A 18 30.718 25.954 15.559 1.00 0.00 N ATOM 266 CA LYS A 18 30.815 27.420 15.413 1.00 0.00 C ATOM 267 C LYS A 18 30.940 28.126 16.766 1.00 0.00 C ATOM 268 O LYS A 18 30.279 27.736 17.732 1.00 0.00 O ATOM 269 CB LYS A 18 29.599 27.992 14.666 1.00 0.00 C ATOM 270 CG LYS A 18 29.385 27.403 13.262 1.00 0.00 C ATOM 271 CD LYS A 18 28.639 28.383 12.346 1.00 0.00 C ATOM 272 CE LYS A 18 27.290 28.851 12.908 1.00 0.00 C ATOM 273 NZ LYS A 18 26.800 30.055 12.198 1.00 0.00 N ATOM 0 H LYS A 18 30.043 25.682 16.274 1.00 0.00 H new ATOM 0 HA LYS A 18 31.719 27.606 14.834 1.00 0.00 H new ATOM 0 HB2 LYS A 18 28.704 27.814 15.262 1.00 0.00 H new ATOM 0 HB3 LYS A 18 29.715 29.072 14.580 1.00 0.00 H new ATOM 0 HG2 LYS A 18 30.350 27.154 12.820 1.00 0.00 H new ATOM 0 HG3 LYS A 18 28.820 26.474 13.339 1.00 0.00 H new ATOM 0 HD2 LYS A 18 29.271 29.254 12.170 1.00 0.00 H new ATOM 0 HD3 LYS A 18 28.474 27.908 11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 18 26.558 28.049 12.817 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.392 29.069 13.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 25.887 30.347 12.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 27.489 30.826 12.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 26.680 29.838 11.188 1.00 0.00 H new ATOM 287 N LEU A 19 31.750 29.183 16.818 1.00 0.00 N ATOM 288 CA LEU A 19 32.089 29.925 18.037 1.00 0.00 C ATOM 289 C LEU A 19 31.141 31.118 18.270 1.00 0.00 C ATOM 290 O LEU A 19 30.802 31.841 17.331 1.00 0.00 O ATOM 291 CB LEU A 19 33.567 30.354 17.938 1.00 0.00 C ATOM 292 CG LEU A 19 34.199 30.831 19.258 1.00 0.00 C ATOM 293 CD1 LEU A 19 34.354 29.681 20.257 1.00 0.00 C ATOM 294 CD2 LEU A 19 35.591 31.404 18.990 1.00 0.00 C ATOM 0 H LEU A 19 32.204 29.561 15.987 1.00 0.00 H new ATOM 0 HA LEU A 19 31.957 29.285 18.909 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.148 29.514 17.558 1.00 0.00 H new ATOM 0 HB3 LEU A 19 33.648 31.156 17.204 1.00 0.00 H new ATOM 0 HG LEU A 19 33.536 31.588 19.678 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.803 30.056 21.177 1.00 0.00 H new ATOM 0 HD12 LEU A 19 33.375 29.257 20.478 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.995 28.910 19.828 1.00 0.00 H new ATOM 0 HD21 LEU A 19 36.033 31.740 19.928 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.222 30.634 18.547 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.511 32.247 18.304 1.00 0.00 H new ATOM 306 N GLY A 20 30.752 31.357 19.523 1.00 0.00 N ATOM 307 CA GLY A 20 29.795 32.391 19.928 1.00 0.00 C ATOM 308 C GLY A 20 28.349 31.887 20.041 1.00 0.00 C ATOM 309 O GLY A 20 28.111 30.713 20.330 1.00 0.00 O ATOM 0 H GLY A 20 31.106 30.818 20.313 1.00 0.00 H new ATOM 0 HA2 GLY A 20 30.103 32.801 20.890 1.00 0.00 H new ATOM 0 HA3 GLY A 20 29.830 33.208 19.207 1.00 0.00 H new ATOM 313 N ASP A 21 27.401 32.807 19.844 1.00 0.00 N ATOM 314 CA ASP A 21 25.933 32.653 19.881 1.00 0.00 C ATOM 315 C ASP A 21 25.422 31.483 19.009 1.00 0.00 C ATOM 316 O ASP A 21 25.215 31.616 17.798 1.00 0.00 O ATOM 317 CB ASP A 21 25.355 34.013 19.445 1.00 0.00 C ATOM 318 CG ASP A 21 23.831 34.175 19.494 1.00 0.00 C ATOM 319 OD1 ASP A 21 23.087 33.308 20.016 1.00 0.00 O ATOM 320 OD2 ASP A 21 23.356 35.241 19.037 1.00 0.00 O ATOM 0 H ASP A 21 27.660 33.771 19.634 1.00 0.00 H new ATOM 0 HA ASP A 21 25.601 32.388 20.885 1.00 0.00 H new ATOM 0 HB2 ASP A 21 25.797 34.785 20.074 1.00 0.00 H new ATOM 0 HB3 ASP A 21 25.683 34.208 18.424 1.00 0.00 H new ATOM 325 N ASN A 22 25.243 30.320 19.641 1.00 0.00 N ATOM 326 CA ASN A 22 25.047 29.008 19.014 1.00 0.00 C ATOM 327 C ASN A 22 24.218 28.108 19.954 1.00 0.00 C ATOM 328 O ASN A 22 24.556 28.006 21.132 1.00 0.00 O ATOM 329 CB ASN A 22 26.463 28.439 18.771 1.00 0.00 C ATOM 330 CG ASN A 22 26.513 27.049 18.173 1.00 0.00 C ATOM 331 OD1 ASN A 22 25.507 26.430 17.869 1.00 0.00 O ATOM 332 ND2 ASN A 22 27.693 26.510 17.987 1.00 0.00 N ATOM 0 H ASN A 22 25.230 30.264 20.659 1.00 0.00 H new ATOM 0 HA ASN A 22 24.499 29.069 18.074 1.00 0.00 H new ATOM 0 HB2 ASN A 22 27.001 29.119 18.110 1.00 0.00 H new ATOM 0 HB3 ASN A 22 26.999 28.427 19.720 1.00 0.00 H new ATOM 0 HD21 ASN A 22 27.769 25.574 17.589 1.00 0.00 H new ATOM 0 HD22 ASN A 22 28.535 27.026 18.241 1.00 0.00 H new ATOM 339 N ASP A 23 23.168 27.434 19.468 1.00 0.00 N ATOM 340 CA ASP A 23 22.223 26.635 20.281 1.00 0.00 C ATOM 341 C ASP A 23 22.627 25.162 20.525 1.00 0.00 C ATOM 342 O ASP A 23 21.903 24.425 21.199 1.00 0.00 O ATOM 343 CB ASP A 23 20.777 26.779 19.759 1.00 0.00 C ATOM 344 CG ASP A 23 20.388 25.900 18.558 1.00 0.00 C ATOM 345 OD1 ASP A 23 21.271 25.363 17.842 1.00 0.00 O ATOM 346 OD2 ASP A 23 19.169 25.780 18.286 1.00 0.00 O ATOM 0 H ASP A 23 22.940 27.425 18.474 1.00 0.00 H new ATOM 0 HA ASP A 23 22.274 27.072 21.278 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.095 26.556 20.579 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.616 27.822 19.485 1.00 0.00 H new ATOM 351 N TYR A 24 23.797 24.744 20.029 1.00 0.00 N ATOM 352 CA TYR A 24 24.363 23.384 20.114 1.00 0.00 C ATOM 353 C TYR A 24 24.364 22.744 21.521 1.00 0.00 C ATOM 354 O TYR A 24 24.288 21.519 21.656 1.00 0.00 O ATOM 355 CB TYR A 24 25.792 23.504 19.572 1.00 0.00 C ATOM 356 CG TYR A 24 26.619 22.235 19.477 1.00 0.00 C ATOM 357 CD1 TYR A 24 26.383 21.319 18.433 1.00 0.00 C ATOM 358 CD2 TYR A 24 27.709 22.037 20.347 1.00 0.00 C ATOM 359 CE1 TYR A 24 27.250 20.224 18.243 1.00 0.00 C ATOM 360 CE2 TYR A 24 28.575 20.943 20.165 1.00 0.00 C ATOM 361 CZ TYR A 24 28.359 20.043 19.097 1.00 0.00 C ATOM 362 OH TYR A 24 29.251 19.044 18.861 1.00 0.00 O ATOM 0 H TYR A 24 24.415 25.381 19.526 1.00 0.00 H new ATOM 0 HA TYR A 24 23.730 22.709 19.539 1.00 0.00 H new ATOM 0 HB2 TYR A 24 25.737 23.944 18.576 1.00 0.00 H new ATOM 0 HB3 TYR A 24 26.332 24.210 20.203 1.00 0.00 H new ATOM 0 HD1 TYR A 24 25.536 21.456 17.777 1.00 0.00 H new ATOM 0 HD2 TYR A 24 27.881 22.729 21.158 1.00 0.00 H new ATOM 0 HE1 TYR A 24 27.065 19.523 17.443 1.00 0.00 H new ATOM 0 HE2 TYR A 24 29.404 20.791 20.841 1.00 0.00 H new ATOM 0 HH TYR A 24 30.154 19.353 19.082 1.00 0.00 H new ATOM 372 N CYS A 25 24.413 23.557 22.578 1.00 0.00 N ATOM 373 CA CYS A 25 24.437 23.141 23.981 1.00 0.00 C ATOM 374 C CYS A 25 23.271 23.700 24.816 1.00 0.00 C ATOM 375 O CYS A 25 23.239 23.480 26.026 1.00 0.00 O ATOM 376 CB CYS A 25 25.787 23.557 24.564 1.00 0.00 C ATOM 377 SG CYS A 25 27.166 22.510 24.042 1.00 0.00 S ATOM 0 H CYS A 25 24.438 24.571 22.474 1.00 0.00 H new ATOM 0 HA CYS A 25 24.308 22.059 24.022 1.00 0.00 H new ATOM 0 HB2 CYS A 25 25.995 24.587 24.273 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.722 23.540 25.652 1.00 0.00 H new ATOM 382 N LEU A 26 22.309 24.410 24.213 1.00 0.00 N ATOM 383 CA LEU A 26 21.244 25.114 24.938 1.00 0.00 C ATOM 384 C LEU A 26 20.366 24.133 25.729 1.00 0.00 C ATOM 385 O LEU A 26 20.111 24.349 26.917 1.00 0.00 O ATOM 386 CB LEU A 26 20.461 25.973 23.920 1.00 0.00 C ATOM 387 CG LEU A 26 19.418 26.976 24.457 1.00 0.00 C ATOM 388 CD1 LEU A 26 18.124 26.330 24.948 1.00 0.00 C ATOM 389 CD2 LEU A 26 19.972 27.866 25.571 1.00 0.00 C ATOM 0 H LEU A 26 22.248 24.513 23.200 1.00 0.00 H new ATOM 0 HA LEU A 26 21.662 25.780 25.693 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.187 26.532 23.329 1.00 0.00 H new ATOM 0 HB3 LEU A 26 19.949 25.295 23.237 1.00 0.00 H new ATOM 0 HG LEU A 26 19.181 27.586 23.585 1.00 0.00 H new ATOM 0 HD11 LEU A 26 17.445 27.103 25.309 1.00 0.00 H new ATOM 0 HD12 LEU A 26 17.654 25.788 24.127 1.00 0.00 H new ATOM 0 HD13 LEU A 26 18.348 25.637 25.759 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.195 28.551 25.910 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.297 27.245 26.405 1.00 0.00 H new ATOM 0 HD23 LEU A 26 20.820 28.437 25.193 1.00 0.00 H new ATOM 401 N ARG A 27 19.983 23.008 25.110 1.00 0.00 N ATOM 402 CA ARG A 27 19.226 21.942 25.783 1.00 0.00 C ATOM 403 C ARG A 27 20.023 21.286 26.914 1.00 0.00 C ATOM 404 O ARG A 27 19.472 21.083 27.991 1.00 0.00 O ATOM 405 CB ARG A 27 18.752 20.927 24.734 1.00 0.00 C ATOM 406 CG ARG A 27 17.750 19.931 25.331 1.00 0.00 C ATOM 407 CD ARG A 27 17.272 18.931 24.278 1.00 0.00 C ATOM 408 NE ARG A 27 16.240 18.058 24.854 1.00 0.00 N ATOM 409 CZ ARG A 27 16.083 16.762 24.695 1.00 0.00 C ATOM 410 NH1 ARG A 27 16.785 16.052 23.859 1.00 0.00 N ATOM 411 NH2 ARG A 27 15.181 16.169 25.415 1.00 0.00 N ATOM 0 H ARG A 27 20.188 22.811 24.131 1.00 0.00 H new ATOM 0 HA ARG A 27 18.353 22.380 26.267 1.00 0.00 H new ATOM 0 HB2 ARG A 27 18.290 21.454 23.899 1.00 0.00 H new ATOM 0 HB3 ARG A 27 19.610 20.387 24.335 1.00 0.00 H new ATOM 0 HG2 ARG A 27 18.214 19.397 26.160 1.00 0.00 H new ATOM 0 HG3 ARG A 27 16.895 20.471 25.738 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.872 19.462 23.414 1.00 0.00 H new ATOM 0 HD3 ARG A 27 18.111 18.333 23.924 1.00 0.00 H new ATOM 0 HE ARG A 27 15.556 18.517 25.456 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.500 16.499 23.286 1.00 0.00 H new ATOM 0 HH12 ARG A 27 16.620 15.049 23.778 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.622 16.707 26.077 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.031 15.165 25.319 1.00 0.00 H new ATOM 425 N GLU A 28 21.320 21.031 26.724 1.00 0.00 N ATOM 426 CA GLU A 28 22.195 20.513 27.791 1.00 0.00 C ATOM 427 C GLU A 28 22.338 21.510 28.957 1.00 0.00 C ATOM 428 O GLU A 28 22.226 21.104 30.110 1.00 0.00 O ATOM 429 CB GLU A 28 23.564 20.107 27.217 1.00 0.00 C ATOM 430 CG GLU A 28 23.489 18.763 26.482 1.00 0.00 C ATOM 431 CD GLU A 28 24.761 18.472 25.678 1.00 0.00 C ATOM 432 OE1 GLU A 28 25.771 18.023 26.275 1.00 0.00 O ATOM 433 OE2 GLU A 28 24.745 18.666 24.436 1.00 0.00 O ATOM 0 H GLU A 28 21.796 21.175 25.833 1.00 0.00 H new ATOM 0 HA GLU A 28 21.723 19.621 28.204 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.916 20.878 26.532 1.00 0.00 H new ATOM 0 HB3 GLU A 28 24.293 20.041 28.024 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.327 17.964 27.205 1.00 0.00 H new ATOM 0 HG3 GLU A 28 22.630 18.765 25.811 1.00 0.00 H new ATOM 440 N CYS A 29 22.464 22.819 28.697 1.00 0.00 N ATOM 441 CA CYS A 29 22.425 23.844 29.748 1.00 0.00 C ATOM 442 C CYS A 29 21.088 23.820 30.518 1.00 0.00 C ATOM 443 O CYS A 29 21.090 23.847 31.750 1.00 0.00 O ATOM 444 CB CYS A 29 22.686 25.236 29.149 1.00 0.00 C ATOM 445 SG CYS A 29 24.378 25.564 28.577 1.00 0.00 S ATOM 0 H CYS A 29 22.595 23.195 27.758 1.00 0.00 H new ATOM 0 HA CYS A 29 23.216 23.618 30.463 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.007 25.379 28.308 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.427 25.984 29.898 1.00 0.00 H new ATOM 450 N LYS A 30 19.944 23.698 29.827 1.00 0.00 N ATOM 451 CA LYS A 30 18.626 23.579 30.481 1.00 0.00 C ATOM 452 C LYS A 30 18.434 22.259 31.242 1.00 0.00 C ATOM 453 O LYS A 30 17.752 22.261 32.267 1.00 0.00 O ATOM 454 CB LYS A 30 17.491 23.809 29.468 1.00 0.00 C ATOM 455 CG LYS A 30 17.327 25.295 29.100 1.00 0.00 C ATOM 456 CD LYS A 30 16.086 25.483 28.218 1.00 0.00 C ATOM 457 CE LYS A 30 15.811 26.962 27.931 1.00 0.00 C ATOM 458 NZ LYS A 30 14.630 27.127 27.051 1.00 0.00 N ATOM 0 H LYS A 30 19.903 23.679 28.808 1.00 0.00 H new ATOM 0 HA LYS A 30 18.588 24.364 31.236 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.692 23.233 28.564 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.555 23.435 29.883 1.00 0.00 H new ATOM 0 HG2 LYS A 30 17.234 25.894 30.006 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.214 25.648 28.574 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.224 24.950 27.277 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.220 25.041 28.710 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.646 27.492 28.869 1.00 0.00 H new ATOM 0 HE3 LYS A 30 16.685 27.412 27.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 14.468 28.139 26.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 14.799 26.640 26.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 13.793 26.718 27.513 1.00 0.00 H new ATOM 472 N GLN A 31 19.057 21.158 30.817 1.00 0.00 N ATOM 473 CA GLN A 31 19.031 19.872 31.529 1.00 0.00 C ATOM 474 C GLN A 31 19.956 19.860 32.761 1.00 0.00 C ATOM 475 O GLN A 31 19.541 19.411 33.833 1.00 0.00 O ATOM 476 CB GLN A 31 19.385 18.726 30.559 1.00 0.00 C ATOM 477 CG GLN A 31 18.225 18.382 29.606 1.00 0.00 C ATOM 478 CD GLN A 31 18.575 17.298 28.584 1.00 0.00 C ATOM 479 OE1 GLN A 31 19.689 17.197 28.081 1.00 0.00 O ATOM 480 NE2 GLN A 31 17.635 16.449 28.231 1.00 0.00 N ATOM 0 H GLN A 31 19.603 21.131 29.956 1.00 0.00 H new ATOM 0 HA GLN A 31 18.018 19.724 31.904 1.00 0.00 H new ATOM 0 HB2 GLN A 31 20.261 19.007 29.974 1.00 0.00 H new ATOM 0 HB3 GLN A 31 19.655 17.839 31.132 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.368 18.053 30.194 1.00 0.00 H new ATOM 0 HG3 GLN A 31 17.921 19.285 29.076 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.704 16.520 28.641 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.837 15.719 27.548 1.00 0.00 H new ATOM 489 N GLN A 32 21.195 20.351 32.644 1.00 0.00 N ATOM 490 CA GLN A 32 22.182 20.335 33.735 1.00 0.00 C ATOM 491 C GLN A 32 21.992 21.468 34.757 1.00 0.00 C ATOM 492 O GLN A 32 22.313 21.256 35.929 1.00 0.00 O ATOM 493 CB GLN A 32 23.619 20.351 33.177 1.00 0.00 C ATOM 494 CG GLN A 32 24.182 18.957 32.854 1.00 0.00 C ATOM 495 CD GLN A 32 23.625 18.318 31.586 1.00 0.00 C ATOM 496 OE1 GLN A 32 24.170 18.475 30.502 1.00 0.00 O ATOM 497 NE2 GLN A 32 22.569 17.539 31.670 1.00 0.00 N ATOM 0 H GLN A 32 21.546 20.774 31.785 1.00 0.00 H new ATOM 0 HA GLN A 32 22.013 19.403 34.274 1.00 0.00 H new ATOM 0 HB2 GLN A 32 23.639 20.958 32.272 1.00 0.00 H new ATOM 0 HB3 GLN A 32 24.273 20.837 33.901 1.00 0.00 H new ATOM 0 HG2 GLN A 32 25.265 19.031 32.760 1.00 0.00 H new ATOM 0 HG3 GLN A 32 23.980 18.295 33.696 1.00 0.00 H new ATOM 0 HE21 GLN A 32 22.107 17.401 32.569 1.00 0.00 H new ATOM 0 HE22 GLN A 32 22.212 17.072 30.836 1.00 0.00 H new ATOM 506 N TYR A 33 21.467 22.633 34.355 1.00 0.00 N ATOM 507 CA TYR A 33 21.309 23.797 35.240 1.00 0.00 C ATOM 508 C TYR A 33 19.867 24.332 35.392 1.00 0.00 C ATOM 509 O TYR A 33 19.633 25.095 36.330 1.00 0.00 O ATOM 510 CB TYR A 33 22.270 24.922 34.815 1.00 0.00 C ATOM 511 CG TYR A 33 23.766 24.640 34.908 1.00 0.00 C ATOM 512 CD1 TYR A 33 24.357 24.315 36.147 1.00 0.00 C ATOM 513 CD2 TYR A 33 24.591 24.813 33.777 1.00 0.00 C ATOM 514 CE1 TYR A 33 25.756 24.171 36.254 1.00 0.00 C ATOM 515 CE2 TYR A 33 25.993 24.687 33.885 1.00 0.00 C ATOM 516 CZ TYR A 33 26.583 24.370 35.129 1.00 0.00 C ATOM 517 OH TYR A 33 27.937 24.270 35.254 1.00 0.00 O ATOM 0 H TYR A 33 21.138 22.796 33.403 1.00 0.00 H new ATOM 0 HA TYR A 33 21.566 23.433 36.235 1.00 0.00 H new ATOM 0 HB2 TYR A 33 22.041 25.189 33.783 1.00 0.00 H new ATOM 0 HB3 TYR A 33 22.054 25.798 35.426 1.00 0.00 H new ATOM 0 HD1 TYR A 33 23.735 24.176 37.019 1.00 0.00 H new ATOM 0 HD2 TYR A 33 24.146 25.044 32.820 1.00 0.00 H new ATOM 0 HE1 TYR A 33 26.197 23.907 37.204 1.00 0.00 H new ATOM 0 HE2 TYR A 33 26.616 24.833 33.015 1.00 0.00 H new ATOM 0 HH TYR A 33 28.364 24.539 34.414 1.00 0.00 H new ATOM 527 N GLY A 34 18.880 23.946 34.572 1.00 0.00 N ATOM 528 CA GLY A 34 17.448 24.247 34.805 1.00 0.00 C ATOM 529 C GLY A 34 16.735 25.084 33.726 1.00 0.00 C ATOM 530 O GLY A 34 17.377 25.718 32.883 1.00 0.00 O ATOM 0 H GLY A 34 19.047 23.411 33.720 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.914 23.303 34.912 1.00 0.00 H new ATOM 0 HA3 GLY A 34 17.361 24.772 35.756 1.00 0.00 H new ATOM 534 N LYS A 35 15.391 25.088 33.769 1.00 0.00 N ATOM 535 CA LYS A 35 14.460 25.549 32.709 1.00 0.00 C ATOM 536 C LYS A 35 14.691 26.952 32.121 1.00 0.00 C ATOM 537 O LYS A 35 14.371 27.167 30.951 1.00 0.00 O ATOM 538 CB LYS A 35 13.006 25.446 33.229 1.00 0.00 C ATOM 539 CG LYS A 35 12.748 26.262 34.513 1.00 0.00 C ATOM 540 CD LYS A 35 11.261 26.499 34.805 1.00 0.00 C ATOM 541 CE LYS A 35 11.165 27.403 36.042 1.00 0.00 C ATOM 542 NZ LYS A 35 9.809 27.959 36.240 1.00 0.00 N ATOM 0 H LYS A 35 14.890 24.751 34.591 1.00 0.00 H new ATOM 0 HA LYS A 35 14.663 24.880 31.873 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.325 25.787 32.449 1.00 0.00 H new ATOM 0 HB3 LYS A 35 12.771 24.399 33.421 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.197 25.742 35.359 1.00 0.00 H new ATOM 0 HG3 LYS A 35 13.250 27.226 34.428 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.774 26.968 33.950 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.751 25.552 34.983 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.452 26.834 36.926 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.878 28.222 35.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.801 28.561 37.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.542 28.526 35.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.129 27.181 36.361 1.00 0.00 H new ATOM 556 N SER A 36 15.235 27.895 32.890 1.00 0.00 N ATOM 557 CA SER A 36 15.391 29.309 32.502 1.00 0.00 C ATOM 558 C SER A 36 16.842 29.692 32.165 1.00 0.00 C ATOM 559 O SER A 36 17.203 30.875 32.194 1.00 0.00 O ATOM 560 CB SER A 36 14.807 30.213 33.594 1.00 0.00 C ATOM 561 OG SER A 36 13.421 29.993 33.763 1.00 0.00 O ATOM 0 H SER A 36 15.591 27.698 33.826 1.00 0.00 H new ATOM 0 HA SER A 36 14.833 29.456 31.577 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.323 30.027 34.536 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.982 31.257 33.335 1.00 0.00 H new ATOM 0 HG SER A 36 13.080 30.583 34.467 1.00 0.00 H new ATOM 567 N SER A 37 17.693 28.700 31.884 1.00 0.00 N ATOM 568 CA SER A 37 19.101 28.893 31.510 1.00 0.00 C ATOM 569 C SER A 37 19.257 29.322 30.043 1.00 0.00 C ATOM 570 O SER A 37 18.483 28.915 29.170 1.00 0.00 O ATOM 571 CB SER A 37 19.925 27.620 31.756 1.00 0.00 C ATOM 572 OG SER A 37 19.694 27.085 33.048 1.00 0.00 O ATOM 0 H SER A 37 17.418 27.718 31.910 1.00 0.00 H new ATOM 0 HA SER A 37 19.478 29.694 32.146 1.00 0.00 H new ATOM 0 HB2 SER A 37 19.674 26.873 31.003 1.00 0.00 H new ATOM 0 HB3 SER A 37 20.985 27.845 31.640 1.00 0.00 H new ATOM 0 HG SER A 37 18.971 26.425 33.004 1.00 0.00 H new ATOM 578 N GLY A 38 20.297 30.105 29.758 1.00 0.00 N ATOM 579 CA GLY A 38 20.843 30.298 28.410 1.00 0.00 C ATOM 580 C GLY A 38 22.140 29.504 28.208 1.00 0.00 C ATOM 581 O GLY A 38 22.610 28.820 29.123 1.00 0.00 O ATOM 0 H GLY A 38 20.796 30.636 30.472 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.106 29.986 27.670 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.035 31.358 28.243 1.00 0.00 H new ATOM 585 N GLY A 39 22.740 29.595 27.021 1.00 0.00 N ATOM 586 CA GLY A 39 24.064 29.017 26.775 1.00 0.00 C ATOM 587 C GLY A 39 24.508 28.979 25.313 1.00 0.00 C ATOM 588 O GLY A 39 23.692 28.826 24.399 1.00 0.00 O ATOM 0 H GLY A 39 22.331 30.064 26.213 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.800 29.585 27.345 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.074 27.999 27.166 1.00 0.00 H new ATOM 592 N TYR A 40 25.821 29.093 25.105 1.00 0.00 N ATOM 593 CA TYR A 40 26.488 29.229 23.803 1.00 0.00 C ATOM 594 C TYR A 40 27.914 28.635 23.826 1.00 0.00 C ATOM 595 O TYR A 40 28.340 28.078 24.840 1.00 0.00 O ATOM 596 CB TYR A 40 26.480 30.717 23.414 1.00 0.00 C ATOM 597 CG TYR A 40 27.403 31.604 24.226 1.00 0.00 C ATOM 598 CD1 TYR A 40 26.968 32.124 25.459 1.00 0.00 C ATOM 599 CD2 TYR A 40 28.691 31.919 23.749 1.00 0.00 C ATOM 600 CE1 TYR A 40 27.823 32.936 26.222 1.00 0.00 C ATOM 601 CE2 TYR A 40 29.550 32.732 24.512 1.00 0.00 C ATOM 602 CZ TYR A 40 29.122 33.234 25.757 1.00 0.00 C ATOM 603 OH TYR A 40 29.958 34.014 26.496 1.00 0.00 O ATOM 0 H TYR A 40 26.485 29.093 25.879 1.00 0.00 H new ATOM 0 HA TYR A 40 25.948 28.658 23.048 1.00 0.00 H new ATOM 0 HB2 TYR A 40 26.754 30.802 22.362 1.00 0.00 H new ATOM 0 HB3 TYR A 40 25.462 31.095 23.510 1.00 0.00 H new ATOM 0 HD1 TYR A 40 25.975 31.898 25.819 1.00 0.00 H new ATOM 0 HD2 TYR A 40 29.020 31.535 22.795 1.00 0.00 H new ATOM 0 HE1 TYR A 40 27.485 33.334 27.168 1.00 0.00 H new ATOM 0 HE2 TYR A 40 30.537 32.971 24.143 1.00 0.00 H new ATOM 0 HH TYR A 40 29.756 33.900 27.448 1.00 0.00 H new ATOM 613 N CYS A 41 28.670 28.727 22.724 1.00 0.00 N ATOM 614 CA CYS A 41 30.050 28.227 22.666 1.00 0.00 C ATOM 615 C CYS A 41 31.082 29.348 22.893 1.00 0.00 C ATOM 616 O CYS A 41 31.202 30.240 22.059 1.00 0.00 O ATOM 617 CB CYS A 41 30.270 27.506 21.335 1.00 0.00 C ATOM 618 SG CYS A 41 31.819 26.582 21.351 1.00 0.00 S ATOM 0 H CYS A 41 28.345 29.147 21.853 1.00 0.00 H new ATOM 0 HA CYS A 41 30.200 27.517 23.479 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.439 26.827 21.143 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.283 28.232 20.522 1.00 0.00 H new ATOM 623 N TYR A 42 31.843 29.313 23.993 1.00 0.00 N ATOM 624 CA TYR A 42 32.716 30.432 24.401 1.00 0.00 C ATOM 625 C TYR A 42 34.183 30.288 23.953 1.00 0.00 C ATOM 626 O TYR A 42 34.784 31.256 23.481 1.00 0.00 O ATOM 627 CB TYR A 42 32.603 30.618 25.922 1.00 0.00 C ATOM 628 CG TYR A 42 33.511 31.697 26.484 1.00 0.00 C ATOM 629 CD1 TYR A 42 33.248 33.054 26.207 1.00 0.00 C ATOM 630 CD2 TYR A 42 34.645 31.346 27.242 1.00 0.00 C ATOM 631 CE1 TYR A 42 34.123 34.055 26.671 1.00 0.00 C ATOM 632 CE2 TYR A 42 35.529 32.342 27.697 1.00 0.00 C ATOM 633 CZ TYR A 42 35.274 33.699 27.405 1.00 0.00 C ATOM 634 OH TYR A 42 36.129 34.666 27.827 1.00 0.00 O ATOM 0 H TYR A 42 31.875 28.514 24.626 1.00 0.00 H new ATOM 0 HA TYR A 42 32.364 31.325 23.884 1.00 0.00 H new ATOM 0 HB2 TYR A 42 31.570 30.861 26.172 1.00 0.00 H new ATOM 0 HB3 TYR A 42 32.835 29.672 26.411 1.00 0.00 H new ATOM 0 HD1 TYR A 42 32.372 33.327 25.637 1.00 0.00 H new ATOM 0 HD2 TYR A 42 34.837 30.309 27.475 1.00 0.00 H new ATOM 0 HE1 TYR A 42 33.913 35.094 26.465 1.00 0.00 H new ATOM 0 HE2 TYR A 42 36.403 32.068 28.270 1.00 0.00 H new ATOM 0 HH TYR A 42 36.870 34.255 28.319 1.00 0.00 H new ATOM 644 N ALA A 43 34.750 29.082 24.079 1.00 0.00 N ATOM 645 CA ALA A 43 36.163 28.777 23.801 1.00 0.00 C ATOM 646 C ALA A 43 36.304 27.378 23.163 1.00 0.00 C ATOM 647 O ALA A 43 36.951 26.482 23.706 1.00 0.00 O ATOM 648 CB ALA A 43 36.963 28.939 25.103 1.00 0.00 C ATOM 0 H ALA A 43 34.223 28.264 24.387 1.00 0.00 H new ATOM 0 HA ALA A 43 36.572 29.474 23.069 1.00 0.00 H new ATOM 0 HB1 ALA A 43 38.013 28.716 24.915 1.00 0.00 H new ATOM 0 HB2 ALA A 43 36.868 29.963 25.463 1.00 0.00 H new ATOM 0 HB3 ALA A 43 36.576 28.252 25.856 1.00 0.00 H new ATOM 654 N PHE A 44 35.551 27.158 22.078 1.00 0.00 N ATOM 655 CA PHE A 44 35.211 25.860 21.460 1.00 0.00 C ATOM 656 C PHE A 44 34.517 24.819 22.366 1.00 0.00 C ATOM 657 O PHE A 44 33.917 23.877 21.852 1.00 0.00 O ATOM 658 CB PHE A 44 36.372 25.309 20.621 1.00 0.00 C ATOM 659 CG PHE A 44 36.513 26.069 19.316 1.00 0.00 C ATOM 660 CD1 PHE A 44 35.610 25.820 18.262 1.00 0.00 C ATOM 661 CD2 PHE A 44 37.484 27.077 19.177 1.00 0.00 C ATOM 662 CE1 PHE A 44 35.671 26.582 17.082 1.00 0.00 C ATOM 663 CE2 PHE A 44 37.554 27.831 17.993 1.00 0.00 C ATOM 664 CZ PHE A 44 36.642 27.590 16.949 1.00 0.00 C ATOM 0 H PHE A 44 35.131 27.935 21.569 1.00 0.00 H new ATOM 0 HA PHE A 44 34.401 26.093 20.769 1.00 0.00 H new ATOM 0 HB2 PHE A 44 37.300 25.380 21.188 1.00 0.00 H new ATOM 0 HB3 PHE A 44 36.205 24.252 20.413 1.00 0.00 H new ATOM 0 HD1 PHE A 44 34.869 25.041 18.362 1.00 0.00 H new ATOM 0 HD2 PHE A 44 38.177 27.272 19.982 1.00 0.00 H new ATOM 0 HE1 PHE A 44 34.973 26.393 16.279 1.00 0.00 H new ATOM 0 HE2 PHE A 44 38.308 28.596 17.884 1.00 0.00 H new ATOM 0 HZ PHE A 44 36.688 28.180 16.045 1.00 0.00 H new ATOM 674 N ALA A 45 34.481 25.048 23.679 1.00 0.00 N ATOM 675 CA ALA A 45 33.602 24.396 24.642 1.00 0.00 C ATOM 676 C ALA A 45 32.403 25.282 25.037 1.00 0.00 C ATOM 677 O ALA A 45 32.446 26.515 24.916 1.00 0.00 O ATOM 678 CB ALA A 45 34.437 24.015 25.861 1.00 0.00 C ATOM 0 H ALA A 45 35.098 25.730 24.120 1.00 0.00 H new ATOM 0 HA ALA A 45 33.171 23.504 24.186 1.00 0.00 H new ATOM 0 HB1 ALA A 45 33.802 23.524 26.598 1.00 0.00 H new ATOM 0 HB2 ALA A 45 35.233 23.335 25.558 1.00 0.00 H new ATOM 0 HB3 ALA A 45 34.873 24.913 26.298 1.00 0.00 H new ATOM 684 N CYS A 46 31.337 24.648 25.530 1.00 0.00 N ATOM 685 CA CYS A 46 30.076 25.295 25.863 1.00 0.00 C ATOM 686 C CYS A 46 30.041 25.949 27.256 1.00 0.00 C ATOM 687 O CYS A 46 30.556 25.408 28.241 1.00 0.00 O ATOM 688 CB CYS A 46 28.968 24.264 25.678 1.00 0.00 C ATOM 689 SG CYS A 46 28.691 23.840 23.940 1.00 0.00 S ATOM 0 H CYS A 46 31.332 23.644 25.712 1.00 0.00 H new ATOM 0 HA CYS A 46 29.934 26.140 25.189 1.00 0.00 H new ATOM 0 HB2 CYS A 46 29.222 23.360 26.232 1.00 0.00 H new ATOM 0 HB3 CYS A 46 28.043 24.650 26.105 1.00 0.00 H new ATOM 694 N TRP A 47 29.367 27.099 27.325 1.00 0.00 N ATOM 695 CA TRP A 47 29.222 27.993 28.478 1.00 0.00 C ATOM 696 C TRP A 47 27.739 28.352 28.661 1.00 0.00 C ATOM 697 O TRP A 47 27.073 28.750 27.704 1.00 0.00 O ATOM 698 CB TRP A 47 30.088 29.234 28.210 1.00 0.00 C ATOM 699 CG TRP A 47 30.081 30.328 29.236 1.00 0.00 C ATOM 700 CD1 TRP A 47 29.253 31.397 29.234 1.00 0.00 C ATOM 701 CD2 TRP A 47 30.962 30.515 30.388 1.00 0.00 C ATOM 702 NE1 TRP A 47 29.566 32.240 30.283 1.00 0.00 N ATOM 703 CE2 TRP A 47 30.593 31.728 31.047 1.00 0.00 C ATOM 704 CE3 TRP A 47 32.044 29.793 30.940 1.00 0.00 C ATOM 705 CZ2 TRP A 47 31.251 32.190 32.195 1.00 0.00 C ATOM 706 CZ3 TRP A 47 32.701 30.240 32.103 1.00 0.00 C ATOM 707 CH2 TRP A 47 32.305 31.434 32.732 1.00 0.00 C ATOM 0 H TRP A 47 28.868 27.459 26.511 1.00 0.00 H new ATOM 0 HA TRP A 47 29.554 27.520 29.402 1.00 0.00 H new ATOM 0 HB2 TRP A 47 31.118 28.902 28.082 1.00 0.00 H new ATOM 0 HB3 TRP A 47 29.771 29.664 27.260 1.00 0.00 H new ATOM 0 HD1 TRP A 47 28.463 31.567 28.518 1.00 0.00 H new ATOM 0 HE1 TRP A 47 29.098 33.127 30.468 1.00 0.00 H new ATOM 0 HE3 TRP A 47 32.373 28.882 30.462 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 30.951 33.117 32.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 33.515 29.662 32.515 1.00 0.00 H new ATOM 0 HH2 TRP A 47 32.810 31.768 33.626 1.00 0.00 H new ATOM 718 N CYS A 48 27.216 28.187 29.873 1.00 0.00 N ATOM 719 CA CYS A 48 25.813 28.392 30.231 1.00 0.00 C ATOM 720 C CYS A 48 25.619 29.707 31.001 1.00 0.00 C ATOM 721 O CYS A 48 26.485 30.140 31.766 1.00 0.00 O ATOM 722 CB CYS A 48 25.300 27.191 31.033 1.00 0.00 C ATOM 723 SG CYS A 48 25.516 25.555 30.271 1.00 0.00 S ATOM 0 H CYS A 48 27.783 27.894 30.669 1.00 0.00 H new ATOM 0 HA CYS A 48 25.228 28.472 29.315 1.00 0.00 H new ATOM 0 HB2 CYS A 48 25.803 27.186 32.000 1.00 0.00 H new ATOM 0 HB3 CYS A 48 24.238 27.339 31.227 1.00 0.00 H new ATOM 728 N THR A 49 24.464 30.340 30.806 1.00 0.00 N ATOM 729 CA THR A 49 24.170 31.707 31.264 1.00 0.00 C ATOM 730 C THR A 49 22.822 31.799 31.982 1.00 0.00 C ATOM 731 O THR A 49 22.034 30.849 31.965 1.00 0.00 O ATOM 732 CB THR A 49 24.215 32.698 30.089 1.00 0.00 C ATOM 733 OG1 THR A 49 23.228 32.371 29.139 1.00 0.00 O ATOM 734 CG2 THR A 49 25.556 32.693 29.356 1.00 0.00 C ATOM 0 H THR A 49 23.682 29.909 30.312 1.00 0.00 H new ATOM 0 HA THR A 49 24.944 31.974 31.984 1.00 0.00 H new ATOM 0 HB THR A 49 24.050 33.683 30.526 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.265 33.009 28.396 1.00 0.00 H new ATOM 0 HG21 THR A 49 25.526 33.412 28.538 1.00 0.00 H new ATOM 0 HG22 THR A 49 26.351 32.966 30.050 1.00 0.00 H new ATOM 0 HG23 THR A 49 25.749 31.697 28.957 1.00 0.00 H new ATOM 742 N HIS A 50 22.546 32.941 32.625 1.00 0.00 N ATOM 743 CA HIS A 50 21.343 33.168 33.441 1.00 0.00 C ATOM 744 C HIS A 50 21.198 32.179 34.615 1.00 0.00 C ATOM 745 O HIS A 50 20.089 31.794 34.982 1.00 0.00 O ATOM 746 CB HIS A 50 20.100 33.298 32.540 1.00 0.00 C ATOM 747 CG HIS A 50 20.165 34.482 31.605 1.00 0.00 C ATOM 748 ND1 HIS A 50 19.987 35.809 32.002 1.00 0.00 N ATOM 749 CD2 HIS A 50 20.339 34.446 30.251 1.00 0.00 C ATOM 750 CE1 HIS A 50 20.068 36.543 30.882 1.00 0.00 C ATOM 751 NE2 HIS A 50 20.271 35.754 29.816 1.00 0.00 N ATOM 0 H HIS A 50 23.165 33.751 32.593 1.00 0.00 H new ATOM 0 HA HIS A 50 21.455 34.125 33.950 1.00 0.00 H new ATOM 0 HB2 HIS A 50 19.987 32.386 31.954 1.00 0.00 H new ATOM 0 HB3 HIS A 50 19.212 33.386 33.167 1.00 0.00 H new ATOM 0 HD2 HIS A 50 20.498 33.569 29.642 1.00 0.00 H new ATOM 0 HE1 HIS A 50 19.982 37.619 30.844 1.00 0.00 H new ATOM 0 HE2 HIS A 50 20.360 36.067 28.849 1.00 0.00 H new ATOM 759 N LEU A 51 22.317 31.758 35.212 1.00 0.00 N ATOM 760 CA LEU A 51 22.359 30.839 36.358 1.00 0.00 C ATOM 761 C LEU A 51 22.165 31.614 37.675 1.00 0.00 C ATOM 762 O LEU A 51 22.559 32.783 37.774 1.00 0.00 O ATOM 763 CB LEU A 51 23.678 30.032 36.367 1.00 0.00 C ATOM 764 CG LEU A 51 24.173 29.501 35.004 1.00 0.00 C ATOM 765 CD1 LEU A 51 25.483 28.733 35.188 1.00 0.00 C ATOM 766 CD2 LEU A 51 23.159 28.572 34.341 1.00 0.00 C ATOM 0 H LEU A 51 23.244 32.053 34.905 1.00 0.00 H new ATOM 0 HA LEU A 51 21.539 30.127 36.263 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.460 30.662 36.792 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.553 29.183 37.039 1.00 0.00 H new ATOM 0 HG LEU A 51 24.318 30.369 34.360 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.826 28.362 34.222 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.238 29.397 35.610 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.320 27.893 35.863 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.553 28.225 33.386 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.972 27.716 34.989 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.226 29.111 34.174 1.00 0.00 H new ATOM 778 N TYR A 52 21.585 30.992 38.700 1.00 0.00 N ATOM 779 CA TYR A 52 21.356 31.627 40.004 1.00 0.00 C ATOM 780 C TYR A 52 22.672 31.888 40.760 1.00 0.00 C ATOM 781 O TYR A 52 23.669 31.184 40.589 1.00 0.00 O ATOM 782 CB TYR A 52 20.348 30.807 40.827 1.00 0.00 C ATOM 783 CG TYR A 52 18.933 30.828 40.264 1.00 0.00 C ATOM 784 CD1 TYR A 52 18.169 32.009 40.341 1.00 0.00 C ATOM 785 CD2 TYR A 52 18.379 29.685 39.653 1.00 0.00 C ATOM 786 CE1 TYR A 52 16.879 32.055 39.781 1.00 0.00 C ATOM 787 CE2 TYR A 52 17.081 29.721 39.103 1.00 0.00 C ATOM 788 CZ TYR A 52 16.333 30.918 39.154 1.00 0.00 C ATOM 789 OH TYR A 52 15.102 31.010 38.583 1.00 0.00 O ATOM 0 H TYR A 52 21.257 30.027 38.652 1.00 0.00 H new ATOM 0 HA TYR A 52 20.917 32.610 39.834 1.00 0.00 H new ATOM 0 HB2 TYR A 52 20.692 29.774 40.881 1.00 0.00 H new ATOM 0 HB3 TYR A 52 20.329 31.190 41.847 1.00 0.00 H new ATOM 0 HD1 TYR A 52 18.575 32.882 40.831 1.00 0.00 H new ATOM 0 HD2 TYR A 52 18.954 28.772 39.606 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.304 32.968 39.832 1.00 0.00 H new ATOM 0 HE2 TYR A 52 16.661 28.838 38.645 1.00 0.00 H new ATOM 0 HH TYR A 52 14.859 30.146 38.189 1.00 0.00 H new ATOM 799 N GLU A 53 22.704 32.907 41.624 1.00 0.00 N ATOM 800 CA GLU A 53 23.931 33.319 42.327 1.00 0.00 C ATOM 801 C GLU A 53 24.435 32.254 43.321 1.00 0.00 C ATOM 802 O GLU A 53 25.630 32.202 43.601 1.00 0.00 O ATOM 803 CB GLU A 53 23.712 34.668 43.036 1.00 0.00 C ATOM 804 CG GLU A 53 23.410 35.845 42.093 1.00 0.00 C ATOM 805 CD GLU A 53 24.591 36.174 41.176 1.00 0.00 C ATOM 806 OE1 GLU A 53 25.669 36.562 41.689 1.00 0.00 O ATOM 807 OE2 GLU A 53 24.473 36.036 39.936 1.00 0.00 O ATOM 0 H GLU A 53 21.886 33.470 41.858 1.00 0.00 H new ATOM 0 HA GLU A 53 24.710 33.432 41.573 1.00 0.00 H new ATOM 0 HB2 GLU A 53 22.887 34.563 43.741 1.00 0.00 H new ATOM 0 HB3 GLU A 53 24.602 34.906 43.619 1.00 0.00 H new ATOM 0 HG2 GLU A 53 22.537 35.606 41.486 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.156 36.725 42.684 1.00 0.00 H new ATOM 814 N GLN A 54 23.550 31.362 43.785 1.00 0.00 N ATOM 815 CA GLN A 54 23.869 30.251 44.695 1.00 0.00 C ATOM 816 C GLN A 54 24.409 28.997 43.981 1.00 0.00 C ATOM 817 O GLN A 54 24.853 28.052 44.645 1.00 0.00 O ATOM 818 CB GLN A 54 22.634 29.855 45.531 1.00 0.00 C ATOM 819 CG GLN A 54 21.894 31.008 46.230 1.00 0.00 C ATOM 820 CD GLN A 54 20.982 31.773 45.279 1.00 0.00 C ATOM 821 OE1 GLN A 54 20.115 31.220 44.617 1.00 0.00 O ATOM 822 NE2 GLN A 54 21.165 33.061 45.121 1.00 0.00 N ATOM 0 H GLN A 54 22.563 31.393 43.531 1.00 0.00 H new ATOM 0 HA GLN A 54 24.664 30.627 45.339 1.00 0.00 H new ATOM 0 HB2 GLN A 54 21.929 29.340 44.879 1.00 0.00 H new ATOM 0 HB3 GLN A 54 22.948 29.139 46.290 1.00 0.00 H new ATOM 0 HG2 GLN A 54 21.303 30.610 47.055 1.00 0.00 H new ATOM 0 HG3 GLN A 54 22.622 31.695 46.662 1.00 0.00 H new ATOM 0 HE21 GLN A 54 21.882 33.544 45.662 1.00 0.00 H new ATOM 0 HE22 GLN A 54 20.590 33.580 44.457 1.00 0.00 H new ATOM 831 N ALA A 55 24.343 28.952 42.645 1.00 0.00 N ATOM 832 CA ALA A 55 24.628 27.754 41.860 1.00 0.00 C ATOM 833 C ALA A 55 26.111 27.353 41.930 1.00 0.00 C ATOM 834 O ALA A 55 27.000 28.203 41.833 1.00 0.00 O ATOM 835 CB ALA A 55 24.170 27.993 40.414 1.00 0.00 C ATOM 0 H ALA A 55 24.087 29.759 42.076 1.00 0.00 H new ATOM 0 HA ALA A 55 24.075 26.914 42.281 1.00 0.00 H new ATOM 0 HB1 ALA A 55 24.377 27.106 39.815 1.00 0.00 H new ATOM 0 HB2 ALA A 55 23.100 28.198 40.401 1.00 0.00 H new ATOM 0 HB3 ALA A 55 24.708 28.845 39.998 1.00 0.00 H new ATOM 841 N VAL A 56 26.378 26.051 42.053 1.00 0.00 N ATOM 842 CA VAL A 56 27.710 25.462 41.859 1.00 0.00 C ATOM 843 C VAL A 56 27.971 25.252 40.365 1.00 0.00 C ATOM 844 O VAL A 56 27.077 24.822 39.633 1.00 0.00 O ATOM 845 CB VAL A 56 27.889 24.169 42.687 1.00 0.00 C ATOM 846 CG1 VAL A 56 26.830 23.093 42.414 1.00 0.00 C ATOM 847 CG2 VAL A 56 29.276 23.546 42.483 1.00 0.00 C ATOM 0 H VAL A 56 25.665 25.363 42.294 1.00 0.00 H new ATOM 0 HA VAL A 56 28.462 26.157 42.233 1.00 0.00 H new ATOM 0 HB VAL A 56 27.769 24.499 43.719 1.00 0.00 H new ATOM 0 HG11 VAL A 56 27.030 22.220 43.036 1.00 0.00 H new ATOM 0 HG12 VAL A 56 25.841 23.488 42.649 1.00 0.00 H new ATOM 0 HG13 VAL A 56 26.866 22.806 41.363 1.00 0.00 H new ATOM 0 HG21 VAL A 56 29.360 22.640 43.083 1.00 0.00 H new ATOM 0 HG22 VAL A 56 29.412 23.298 41.430 1.00 0.00 H new ATOM 0 HG23 VAL A 56 30.043 24.257 42.791 1.00 0.00 H new ATOM 857 N VAL A 57 29.196 25.553 39.926 1.00 0.00 N ATOM 858 CA VAL A 57 29.679 25.357 38.547 1.00 0.00 C ATOM 859 C VAL A 57 31.048 24.664 38.529 1.00 0.00 C ATOM 860 O VAL A 57 31.760 24.619 39.540 1.00 0.00 O ATOM 861 CB VAL A 57 29.710 26.682 37.749 1.00 0.00 C ATOM 862 CG1 VAL A 57 28.306 27.276 37.575 1.00 0.00 C ATOM 863 CG2 VAL A 57 30.611 27.745 38.387 1.00 0.00 C ATOM 0 H VAL A 57 29.907 25.954 40.538 1.00 0.00 H new ATOM 0 HA VAL A 57 28.965 24.700 38.049 1.00 0.00 H new ATOM 0 HB VAL A 57 30.123 26.415 36.776 1.00 0.00 H new ATOM 0 HG11 VAL A 57 28.372 28.206 37.010 1.00 0.00 H new ATOM 0 HG12 VAL A 57 27.675 26.568 37.037 1.00 0.00 H new ATOM 0 HG13 VAL A 57 27.872 27.477 38.554 1.00 0.00 H new ATOM 0 HG21 VAL A 57 30.591 28.651 37.781 1.00 0.00 H new ATOM 0 HG22 VAL A 57 30.251 27.972 39.391 1.00 0.00 H new ATOM 0 HG23 VAL A 57 31.633 27.369 38.444 1.00 0.00 H new ATOM 873 N TRP A 58 31.424 24.100 37.382 1.00 0.00 N ATOM 874 CA TRP A 58 32.706 23.412 37.174 1.00 0.00 C ATOM 875 C TRP A 58 33.839 24.393 36.793 1.00 0.00 C ATOM 876 O TRP A 58 33.665 25.164 35.845 1.00 0.00 O ATOM 877 CB TRP A 58 32.487 22.330 36.114 1.00 0.00 C ATOM 878 CG TRP A 58 33.708 21.669 35.557 1.00 0.00 C ATOM 879 CD1 TRP A 58 34.683 21.049 36.260 1.00 0.00 C ATOM 880 CD2 TRP A 58 34.074 21.519 34.153 1.00 0.00 C ATOM 881 NE1 TRP A 58 35.648 20.573 35.394 1.00 0.00 N ATOM 882 CE2 TRP A 58 35.322 20.831 34.080 1.00 0.00 C ATOM 883 CE3 TRP A 58 33.451 21.859 32.934 1.00 0.00 C ATOM 884 CZ2 TRP A 58 35.936 20.526 32.857 1.00 0.00 C ATOM 885 CZ3 TRP A 58 34.037 21.512 31.702 1.00 0.00 C ATOM 886 CH2 TRP A 58 35.283 20.862 31.659 1.00 0.00 C ATOM 0 H TRP A 58 30.835 24.107 36.549 1.00 0.00 H new ATOM 0 HA TRP A 58 33.036 22.950 38.105 1.00 0.00 H new ATOM 0 HB2 TRP A 58 31.850 21.557 36.545 1.00 0.00 H new ATOM 0 HB3 TRP A 58 31.934 22.774 35.286 1.00 0.00 H new ATOM 0 HD1 TRP A 58 34.704 20.942 37.335 1.00 0.00 H new ATOM 0 HE1 TRP A 58 36.496 20.091 35.690 1.00 0.00 H new ATOM 0 HE3 TRP A 58 32.512 22.393 32.946 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 36.900 20.039 32.836 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 33.525 21.747 30.781 1.00 0.00 H new ATOM 0 HH2 TRP A 58 35.737 20.622 30.709 1.00 0.00 H new ATOM 897 N PRO A 59 34.986 24.404 37.508 1.00 0.00 N ATOM 898 CA PRO A 59 36.113 25.294 37.217 1.00 0.00 C ATOM 899 C PRO A 59 37.105 24.695 36.203 1.00 0.00 C ATOM 900 O PRO A 59 37.315 23.479 36.151 1.00 0.00 O ATOM 901 CB PRO A 59 36.767 25.534 38.579 1.00 0.00 C ATOM 902 CG PRO A 59 36.593 24.185 39.272 1.00 0.00 C ATOM 903 CD PRO A 59 35.225 23.720 38.775 1.00 0.00 C ATOM 0 HA PRO A 59 35.780 26.218 36.744 1.00 0.00 H new ATOM 0 HB2 PRO A 59 37.818 25.808 38.482 1.00 0.00 H new ATOM 0 HB3 PRO A 59 36.277 26.338 39.128 1.00 0.00 H new ATOM 0 HG2 PRO A 59 37.382 23.485 38.997 1.00 0.00 H new ATOM 0 HG3 PRO A 59 36.617 24.282 40.357 1.00 0.00 H new ATOM 0 HD2 PRO A 59 35.209 22.638 38.640 1.00 0.00 H new ATOM 0 HD3 PRO A 59 34.447 23.963 39.499 1.00 0.00 H new ATOM 911 N LEU A 60 37.775 25.564 35.436 1.00 0.00 N ATOM 912 CA LEU A 60 38.771 25.184 34.419 1.00 0.00 C ATOM 913 C LEU A 60 40.058 26.067 34.393 1.00 0.00 C ATOM 914 O LEU A 60 40.543 26.390 33.302 1.00 0.00 O ATOM 915 CB LEU A 60 38.022 25.096 33.066 1.00 0.00 C ATOM 916 CG LEU A 60 38.698 24.292 31.936 1.00 0.00 C ATOM 917 CD1 LEU A 60 39.009 22.849 32.338 1.00 0.00 C ATOM 918 CD2 LEU A 60 37.755 24.247 30.733 1.00 0.00 C ATOM 0 H LEU A 60 37.639 26.573 35.504 1.00 0.00 H new ATOM 0 HA LEU A 60 39.196 24.213 34.672 1.00 0.00 H new ATOM 0 HB2 LEU A 60 37.041 24.659 33.251 1.00 0.00 H new ATOM 0 HB3 LEU A 60 37.856 26.111 32.705 1.00 0.00 H new ATOM 0 HG LEU A 60 39.639 24.791 31.706 1.00 0.00 H new ATOM 0 HD11 LEU A 60 39.483 22.333 31.503 1.00 0.00 H new ATOM 0 HD12 LEU A 60 39.682 22.847 33.196 1.00 0.00 H new ATOM 0 HD13 LEU A 60 38.083 22.337 32.602 1.00 0.00 H new ATOM 0 HD21 LEU A 60 38.221 23.681 29.926 1.00 0.00 H new ATOM 0 HD22 LEU A 60 36.820 23.766 31.021 1.00 0.00 H new ATOM 0 HD23 LEU A 60 37.550 25.262 30.393 1.00 0.00 H new ATOM 930 N PRO A 61 40.640 26.514 35.532 1.00 0.00 N ATOM 931 CA PRO A 61 41.817 27.396 35.530 1.00 0.00 C ATOM 932 C PRO A 61 43.157 26.711 35.205 1.00 0.00 C ATOM 933 O PRO A 61 44.104 27.402 34.826 1.00 0.00 O ATOM 934 CB PRO A 61 41.863 27.990 36.939 1.00 0.00 C ATOM 935 CG PRO A 61 41.293 26.873 37.806 1.00 0.00 C ATOM 936 CD PRO A 61 40.194 26.317 36.907 1.00 0.00 C ATOM 0 HA PRO A 61 41.705 28.131 34.733 1.00 0.00 H new ATOM 0 HB2 PRO A 61 42.880 28.250 37.234 1.00 0.00 H new ATOM 0 HB3 PRO A 61 41.268 28.900 37.012 1.00 0.00 H new ATOM 0 HG2 PRO A 61 42.043 26.120 38.050 1.00 0.00 H new ATOM 0 HG3 PRO A 61 40.899 27.248 38.751 1.00 0.00 H new ATOM 0 HD2 PRO A 61 40.024 25.260 37.111 1.00 0.00 H new ATOM 0 HD3 PRO A 61 39.250 26.832 37.086 1.00 0.00 H new ATOM 944 N ASN A 62 43.275 25.391 35.378 1.00 0.00 N ATOM 945 CA ASN A 62 44.555 24.659 35.346 1.00 0.00 C ATOM 946 C ASN A 62 44.589 23.510 34.324 1.00 0.00 C ATOM 947 O ASN A 62 45.648 23.170 33.793 1.00 0.00 O ATOM 948 CB ASN A 62 44.805 24.141 36.776 1.00 0.00 C ATOM 949 CG ASN A 62 46.011 23.223 36.876 1.00 0.00 C ATOM 950 OD1 ASN A 62 45.886 22.033 37.133 1.00 0.00 O ATOM 951 ND2 ASN A 62 47.198 23.739 36.672 1.00 0.00 N ATOM 0 H ASN A 62 42.472 24.786 35.548 1.00 0.00 H new ATOM 0 HA ASN A 62 45.344 25.336 35.017 1.00 0.00 H new ATOM 0 HB2 ASN A 62 44.946 24.991 37.444 1.00 0.00 H new ATOM 0 HB3 ASN A 62 43.920 23.607 37.122 1.00 0.00 H new ATOM 0 HD21 ASN A 62 48.027 23.148 36.727 1.00 0.00 H new ATOM 0 HD22 ASN A 62 47.293 24.732 36.458 1.00 0.00 H new ATOM 958 N LYS A 63 43.436 22.896 34.060 1.00 0.00 N ATOM 959 CA LYS A 63 43.315 21.685 33.243 1.00 0.00 C ATOM 960 C LYS A 63 42.829 22.008 31.830 1.00 0.00 C ATOM 961 O LYS A 63 42.221 23.051 31.586 1.00 0.00 O ATOM 962 CB LYS A 63 42.411 20.674 33.968 1.00 0.00 C ATOM 963 CG LYS A 63 42.928 20.357 35.385 1.00 0.00 C ATOM 964 CD LYS A 63 42.142 19.247 36.087 1.00 0.00 C ATOM 965 CE LYS A 63 42.574 17.871 35.577 1.00 0.00 C ATOM 966 NZ LYS A 63 42.078 16.779 36.444 1.00 0.00 N ATOM 0 H LYS A 63 42.541 23.232 34.415 1.00 0.00 H new ATOM 0 HA LYS A 63 44.298 21.231 33.118 1.00 0.00 H new ATOM 0 HB2 LYS A 63 41.398 21.072 34.031 1.00 0.00 H new ATOM 0 HB3 LYS A 63 42.356 19.754 33.387 1.00 0.00 H new ATOM 0 HG2 LYS A 63 43.977 20.066 35.324 1.00 0.00 H new ATOM 0 HG3 LYS A 63 42.883 21.262 35.991 1.00 0.00 H new ATOM 0 HD2 LYS A 63 42.301 19.307 37.164 1.00 0.00 H new ATOM 0 HD3 LYS A 63 41.075 19.386 35.914 1.00 0.00 H new ATOM 0 HE2 LYS A 63 42.202 17.727 34.563 1.00 0.00 H new ATOM 0 HE3 LYS A 63 43.662 17.828 35.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 42.393 15.864 36.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 42.454 16.902 37.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 41.039 16.803 36.473 1.00 0.00 H new ATOM 980 N THR A 64 43.076 21.078 30.914 1.00 0.00 N ATOM 981 CA THR A 64 42.551 21.082 29.541 1.00 0.00 C ATOM 982 C THR A 64 42.069 19.670 29.233 1.00 0.00 C ATOM 983 O THR A 64 42.849 18.723 29.362 1.00 0.00 O ATOM 984 CB THR A 64 43.633 21.505 28.531 1.00 0.00 C ATOM 985 OG1 THR A 64 44.021 22.847 28.718 1.00 0.00 O ATOM 986 CG2 THR A 64 43.217 21.377 27.067 1.00 0.00 C ATOM 0 H THR A 64 43.667 20.270 31.107 1.00 0.00 H new ATOM 0 HA THR A 64 41.735 21.800 29.458 1.00 0.00 H new ATOM 0 HB THR A 64 44.450 20.812 28.729 1.00 0.00 H new ATOM 0 HG1 THR A 64 44.710 23.083 28.062 1.00 0.00 H new ATOM 0 HG21 THR A 64 44.039 21.696 26.426 1.00 0.00 H new ATOM 0 HG22 THR A 64 42.969 20.338 26.849 1.00 0.00 H new ATOM 0 HG23 THR A 64 42.346 22.005 26.880 1.00 0.00 H new ATOM 994 N CYS A 65 40.813 19.517 28.816 1.00 0.00 N ATOM 995 CA CYS A 65 40.276 18.244 28.347 1.00 0.00 C ATOM 996 C CYS A 65 41.016 17.816 27.071 1.00 0.00 C ATOM 997 O CYS A 65 41.071 18.576 26.098 1.00 0.00 O ATOM 998 CB CYS A 65 38.762 18.382 28.122 1.00 0.00 C ATOM 999 SG CYS A 65 37.958 16.934 27.376 1.00 0.00 S ATOM 0 H CYS A 65 40.136 20.280 28.795 1.00 0.00 H new ATOM 0 HA CYS A 65 40.430 17.465 29.094 1.00 0.00 H new ATOM 0 HB2 CYS A 65 38.285 18.589 29.080 1.00 0.00 H new ATOM 0 HB3 CYS A 65 38.583 19.247 27.483 1.00 0.00 H new ATOM 1004 N ASN A 66 41.573 16.603 27.070 1.00 0.00 N ATOM 1005 CA ASN A 66 42.361 16.037 25.972 1.00 0.00 C ATOM 1006 C ASN A 66 41.769 14.698 25.489 1.00 0.00 C ATOM 1007 O ASN A 66 41.240 13.917 26.287 1.00 0.00 O ATOM 1008 CB ASN A 66 43.827 15.908 26.436 1.00 0.00 C ATOM 1009 CG ASN A 66 44.775 15.706 25.268 1.00 0.00 C ATOM 1010 OD1 ASN A 66 44.906 16.570 24.413 1.00 0.00 O ATOM 1011 ND2 ASN A 66 45.446 14.583 25.175 1.00 0.00 N ATOM 0 H ASN A 66 41.485 15.965 27.861 1.00 0.00 H new ATOM 0 HA ASN A 66 42.328 16.701 25.108 1.00 0.00 H new ATOM 0 HB2 ASN A 66 44.114 16.805 26.986 1.00 0.00 H new ATOM 0 HB3 ASN A 66 43.917 15.069 27.126 1.00 0.00 H new ATOM 0 HD21 ASN A 66 46.078 14.430 24.389 1.00 0.00 H new ATOM 0 HD22 ASN A 66 45.336 13.863 25.889 1.00 0.00 H new HETATM 1018 N NH2 A 67 41.870 14.404 24.200 1.00 0.00 N TER 1021 NH2 A 67