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 1 LYS NZ :NH3+ -172:sc= 1.28 (180deg=0) USER MOD Set 1.2: A 50 HIS : no HD1:sc= 0.892 K(o=2.2,f=-6.1!) USER MOD Set 2.1: A 7 SER OG : rot 170:sc= 1.84 USER MOD Set 2.2: A 10 THR OG1 : rot 74:sc= 2.31 USER MOD Set 3.1: A 4 TYR OH : rot 167:sc= 1.24 USER MOD Set 3.2: A 66 ASN : amide:sc= 1.62 K(o=2.9,f=-2.9) USER MOD Single : A 1 LYS N :NH3+ 167:sc= 0.944 (180deg=0.767) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 1.55 K(o=1.6,f=-4.4!) USER MOD Single : A 24 TYR OH : rot -32:sc= 0.315 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=-0.96) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 33 TYR OH : rot -12:sc= 1.23 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 -76:sc= 1.26 USER MOD Single : A 40 TYR OH : rot 55:sc= 0.00189 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 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= 0 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 ----------------------------------------------------------------- ATOM 1 N LYS A 1 26.847 34.608 38.099 1.00 0.00 N ATOM 2 CA LYS A 1 25.878 33.540 37.778 1.00 0.00 C ATOM 3 C LYS A 1 26.175 32.893 36.412 1.00 0.00 C ATOM 4 O LYS A 1 25.295 32.792 35.558 1.00 0.00 O ATOM 5 CB LYS A 1 24.424 34.043 37.939 1.00 0.00 C ATOM 6 CG LYS A 1 24.069 35.341 37.187 1.00 0.00 C ATOM 7 CD LYS A 1 22.586 35.726 37.324 1.00 0.00 C ATOM 8 CE LYS A 1 22.311 37.065 36.619 1.00 0.00 C ATOM 9 NZ LYS A 1 20.862 37.309 36.405 1.00 0.00 N ATOM 0 H1 LYS A 1 26.497 35.164 38.905 1.00 0.00 H new ATOM 0 H2 LYS A 1 27.764 34.183 38.344 1.00 0.00 H new ATOM 0 H3 LYS A 1 26.964 35.230 37.274 1.00 0.00 H new ATOM 0 HA LYS A 1 25.995 32.735 38.503 1.00 0.00 H new ATOM 0 HB2 LYS A 1 23.749 33.256 37.602 1.00 0.00 H new ATOM 0 HB3 LYS A 1 24.230 34.197 39.000 1.00 0.00 H new ATOM 0 HG2 LYS A 1 24.687 36.155 37.566 1.00 0.00 H new ATOM 0 HG3 LYS A 1 24.312 35.221 36.131 1.00 0.00 H new ATOM 0 HD2 LYS A 1 21.960 34.945 36.892 1.00 0.00 H new ATOM 0 HD3 LYS A 1 22.319 35.802 38.378 1.00 0.00 H new ATOM 0 HE2 LYS A 1 22.729 37.877 37.214 1.00 0.00 H new ATOM 0 HE3 LYS A 1 22.824 37.077 35.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 20.736 38.153 35.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 20.437 36.486 35.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 20.396 37.460 37.323 1.00 0.00 H new ATOM 25 N GLU A 2 27.416 32.444 36.187 1.00 0.00 N ATOM 26 CA GLU A 2 27.913 31.869 34.917 1.00 0.00 C ATOM 27 C GLU A 2 28.900 30.703 35.154 1.00 0.00 C ATOM 28 O GLU A 2 29.372 30.510 36.279 1.00 0.00 O ATOM 29 CB GLU A 2 28.645 32.937 34.069 1.00 0.00 C ATOM 30 CG GLU A 2 27.898 34.250 33.799 1.00 0.00 C ATOM 31 CD GLU A 2 27.943 35.244 34.971 1.00 0.00 C ATOM 32 OE1 GLU A 2 29.055 35.647 35.396 1.00 0.00 O ATOM 33 OE2 GLU A 2 26.865 35.646 35.475 1.00 0.00 O ATOM 0 H GLU A 2 28.135 32.469 36.910 1.00 0.00 H new ATOM 0 HA GLU A 2 27.032 31.501 34.391 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.584 33.179 34.567 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.900 32.489 33.108 1.00 0.00 H new ATOM 0 HG2 GLU A 2 28.325 34.725 32.916 1.00 0.00 H new ATOM 0 HG3 GLU A 2 26.857 34.024 33.567 1.00 0.00 H new ATOM 40 N GLY A 3 29.289 29.975 34.101 1.00 0.00 N ATOM 41 CA GLY A 3 30.492 29.128 34.101 1.00 0.00 C ATOM 42 C GLY A 3 30.516 28.035 33.028 1.00 0.00 C ATOM 43 O GLY A 3 29.581 27.887 32.240 1.00 0.00 O ATOM 0 H GLY A 3 28.777 29.955 33.219 1.00 0.00 H new ATOM 0 HA2 GLY A 3 31.366 29.765 33.968 1.00 0.00 H new ATOM 0 HA3 GLY A 3 30.586 28.657 35.080 1.00 0.00 H new ATOM 47 N TYR A 4 31.598 27.254 32.997 1.00 0.00 N ATOM 48 CA TYR A 4 31.753 26.125 32.076 1.00 0.00 C ATOM 49 C TYR A 4 30.947 24.901 32.554 1.00 0.00 C ATOM 50 O TYR A 4 31.036 24.498 33.717 1.00 0.00 O ATOM 51 CB TYR A 4 33.250 25.818 31.870 1.00 0.00 C ATOM 52 CG TYR A 4 33.583 24.697 30.894 1.00 0.00 C ATOM 53 CD1 TYR A 4 32.746 24.404 29.800 1.00 0.00 C ATOM 54 CD2 TYR A 4 34.747 23.929 31.090 1.00 0.00 C ATOM 55 CE1 TYR A 4 32.991 23.277 28.999 1.00 0.00 C ATOM 56 CE2 TYR A 4 35.044 22.842 30.240 1.00 0.00 C ATOM 57 CZ TYR A 4 34.140 22.492 29.215 1.00 0.00 C ATOM 58 OH TYR A 4 34.379 21.437 28.397 1.00 0.00 O ATOM 0 H TYR A 4 32.398 27.388 33.615 1.00 0.00 H new ATOM 0 HA TYR A 4 31.340 26.394 31.104 1.00 0.00 H new ATOM 0 HB2 TYR A 4 33.741 26.728 31.526 1.00 0.00 H new ATOM 0 HB3 TYR A 4 33.684 25.568 32.838 1.00 0.00 H new ATOM 0 HD1 TYR A 4 31.910 25.050 29.576 1.00 0.00 H new ATOM 0 HD2 TYR A 4 35.419 24.174 31.899 1.00 0.00 H new ATOM 0 HE1 TYR A 4 32.297 23.012 28.215 1.00 0.00 H new ATOM 0 HE2 TYR A 4 35.958 22.282 30.373 1.00 0.00 H new ATOM 0 HH TYR A 4 35.297 21.121 28.530 1.00 0.00 H new ATOM 68 N LEU A 5 30.158 24.311 31.651 1.00 0.00 N ATOM 69 CA LEU A 5 29.244 23.204 31.930 1.00 0.00 C ATOM 70 C LEU A 5 29.992 21.913 32.305 1.00 0.00 C ATOM 71 O LEU A 5 30.681 21.315 31.480 1.00 0.00 O ATOM 72 CB LEU A 5 28.357 23.029 30.685 1.00 0.00 C ATOM 73 CG LEU A 5 27.379 21.843 30.693 1.00 0.00 C ATOM 74 CD1 LEU A 5 26.435 21.790 31.889 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.508 21.921 29.441 1.00 0.00 C ATOM 0 H LEU A 5 30.139 24.602 30.674 1.00 0.00 H new ATOM 0 HA LEU A 5 28.628 23.430 32.801 1.00 0.00 H new ATOM 0 HB2 LEU A 5 27.781 23.944 30.547 1.00 0.00 H new ATOM 0 HB3 LEU A 5 29.007 22.928 29.816 1.00 0.00 H new ATOM 0 HG LEU A 5 28.005 20.952 30.739 1.00 0.00 H new ATOM 0 HD11 LEU A 5 25.786 20.918 31.802 1.00 0.00 H new ATOM 0 HD12 LEU A 5 27.016 21.719 32.808 1.00 0.00 H new ATOM 0 HD13 LEU A 5 25.827 22.694 31.913 1.00 0.00 H new ATOM 0 HD21 LEU A 5 25.808 21.085 29.432 1.00 0.00 H new ATOM 0 HD22 LEU A 5 25.953 22.859 29.442 1.00 0.00 H new ATOM 0 HD23 LEU A 5 27.140 21.874 28.554 1.00 0.00 H new ATOM 87 N VAL A 6 29.799 21.447 33.540 1.00 0.00 N ATOM 88 CA VAL A 6 30.301 20.144 34.007 1.00 0.00 C ATOM 89 C VAL A 6 29.497 18.988 33.391 1.00 0.00 C ATOM 90 O VAL A 6 28.274 19.053 33.269 1.00 0.00 O ATOM 91 CB VAL A 6 30.371 20.099 35.548 1.00 0.00 C ATOM 92 CG1 VAL A 6 29.022 20.347 36.231 1.00 0.00 C ATOM 93 CG2 VAL A 6 30.953 18.780 36.067 1.00 0.00 C ATOM 0 H VAL A 6 29.286 21.964 34.254 1.00 0.00 H new ATOM 0 HA VAL A 6 31.325 20.014 33.656 1.00 0.00 H new ATOM 0 HB VAL A 6 31.039 20.919 35.810 1.00 0.00 H new ATOM 0 HG11 VAL A 6 29.148 20.300 37.313 1.00 0.00 H new ATOM 0 HG12 VAL A 6 28.648 21.332 35.951 1.00 0.00 H new ATOM 0 HG13 VAL A 6 28.309 19.585 35.916 1.00 0.00 H new ATOM 0 HG21 VAL A 6 30.981 18.798 37.156 1.00 0.00 H new ATOM 0 HG22 VAL A 6 30.329 17.951 35.734 1.00 0.00 H new ATOM 0 HG23 VAL A 6 31.964 18.651 35.680 1.00 0.00 H new ATOM 103 N SER A 7 30.190 17.924 32.985 1.00 0.00 N ATOM 104 CA SER A 7 29.636 16.714 32.356 1.00 0.00 C ATOM 105 C SER A 7 28.820 15.841 33.323 1.00 0.00 C ATOM 106 O SER A 7 28.970 15.933 34.547 1.00 0.00 O ATOM 107 CB SER A 7 30.809 15.932 31.751 1.00 0.00 C ATOM 108 OG SER A 7 30.447 14.661 31.247 1.00 0.00 O ATOM 0 H SER A 7 31.204 17.875 33.089 1.00 0.00 H new ATOM 0 HA SER A 7 28.925 17.012 31.585 1.00 0.00 H new ATOM 0 HB2 SER A 7 31.249 16.520 30.946 1.00 0.00 H new ATOM 0 HB3 SER A 7 31.580 15.805 32.511 1.00 0.00 H new ATOM 0 HG SER A 7 31.193 14.288 30.733 1.00 0.00 H new ATOM 114 N LYS A 8 27.992 14.935 32.785 1.00 0.00 N ATOM 115 CA LYS A 8 27.360 13.845 33.554 1.00 0.00 C ATOM 116 C LYS A 8 28.373 12.778 34.002 1.00 0.00 C ATOM 117 O LYS A 8 28.234 12.249 35.105 1.00 0.00 O ATOM 118 CB LYS A 8 26.228 13.194 32.734 1.00 0.00 C ATOM 119 CG LYS A 8 25.027 14.126 32.490 1.00 0.00 C ATOM 120 CD LYS A 8 23.919 13.388 31.719 1.00 0.00 C ATOM 121 CE LYS A 8 22.756 14.311 31.331 1.00 0.00 C ATOM 122 NZ LYS A 8 21.740 14.456 32.398 1.00 0.00 N ATOM 0 H LYS A 8 27.738 14.935 31.797 1.00 0.00 H new ATOM 0 HA LYS A 8 26.942 14.292 34.456 1.00 0.00 H new ATOM 0 HB2 LYS A 8 26.627 12.871 31.773 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.883 12.300 33.253 1.00 0.00 H new ATOM 0 HG2 LYS A 8 24.638 14.484 33.443 1.00 0.00 H new ATOM 0 HG3 LYS A 8 25.348 15.002 31.927 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.342 12.944 30.818 1.00 0.00 H new ATOM 0 HD3 LYS A 8 23.540 12.569 32.330 1.00 0.00 H new ATOM 0 HE2 LYS A 8 23.151 15.295 31.080 1.00 0.00 H new ATOM 0 HE3 LYS A 8 22.276 13.921 30.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 20.983 15.091 32.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 21.337 13.524 32.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 22.185 14.855 33.249 1.00 0.00 H new ATOM 136 N SER A 9 29.415 12.502 33.208 1.00 0.00 N ATOM 137 CA SER A 9 30.336 11.363 33.428 1.00 0.00 C ATOM 138 C SER A 9 31.837 11.691 33.406 1.00 0.00 C ATOM 139 O SER A 9 32.625 10.959 34.010 1.00 0.00 O ATOM 140 CB SER A 9 30.102 10.298 32.349 1.00 0.00 C ATOM 141 OG SER A 9 28.763 9.848 32.317 1.00 0.00 O ATOM 0 H SER A 9 29.650 13.062 32.388 1.00 0.00 H new ATOM 0 HA SER A 9 30.100 11.027 34.438 1.00 0.00 H new ATOM 0 HB2 SER A 9 30.368 10.708 31.375 1.00 0.00 H new ATOM 0 HB3 SER A 9 30.763 9.450 32.530 1.00 0.00 H new ATOM 0 HG SER A 9 28.662 9.173 31.614 1.00 0.00 H new ATOM 147 N THR A 10 32.260 12.740 32.696 1.00 0.00 N ATOM 148 CA THR A 10 33.662 12.941 32.261 1.00 0.00 C ATOM 149 C THR A 10 34.382 14.139 32.892 1.00 0.00 C ATOM 150 O THR A 10 35.525 14.415 32.523 1.00 0.00 O ATOM 151 CB THR A 10 33.750 13.020 30.722 1.00 0.00 C ATOM 152 OG1 THR A 10 32.862 13.991 30.207 1.00 0.00 O ATOM 153 CG2 THR A 10 33.353 11.696 30.070 1.00 0.00 C ATOM 0 H THR A 10 31.636 13.490 32.398 1.00 0.00 H new ATOM 0 HA THR A 10 34.191 12.062 32.629 1.00 0.00 H new ATOM 0 HB THR A 10 34.786 13.272 30.496 1.00 0.00 H new ATOM 0 HG1 THR A 10 33.210 14.887 30.399 1.00 0.00 H new ATOM 0 HG21 THR A 10 33.426 11.788 28.986 1.00 0.00 H new ATOM 0 HG22 THR A 10 34.021 10.906 30.414 1.00 0.00 H new ATOM 0 HG23 THR A 10 32.328 11.448 30.344 1.00 0.00 H new ATOM 161 N GLY A 11 33.754 14.860 33.826 1.00 0.00 N ATOM 162 CA GLY A 11 34.262 16.129 34.354 1.00 0.00 C ATOM 163 C GLY A 11 34.075 17.256 33.338 1.00 0.00 C ATOM 164 O GLY A 11 33.038 17.920 33.329 1.00 0.00 O ATOM 0 H GLY A 11 32.867 14.575 34.242 1.00 0.00 H new ATOM 0 HA2 GLY A 11 33.741 16.377 35.279 1.00 0.00 H new ATOM 0 HA3 GLY A 11 35.319 16.028 34.601 1.00 0.00 H new ATOM 168 N CYS A 12 35.040 17.428 32.437 1.00 0.00 N ATOM 169 CA CYS A 12 34.903 18.302 31.271 1.00 0.00 C ATOM 170 C CYS A 12 33.865 17.775 30.260 1.00 0.00 C ATOM 171 O CYS A 12 33.665 16.564 30.121 1.00 0.00 O ATOM 172 CB CYS A 12 36.268 18.486 30.600 1.00 0.00 C ATOM 173 SG CYS A 12 37.169 16.951 30.247 1.00 0.00 S ATOM 0 H CYS A 12 35.946 16.962 32.495 1.00 0.00 H new ATOM 0 HA CYS A 12 34.536 19.267 31.621 1.00 0.00 H new ATOM 0 HB2 CYS A 12 36.125 19.028 29.665 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.888 19.113 31.240 1.00 0.00 H new ATOM 178 N LYS A 13 33.224 18.702 29.538 1.00 0.00 N ATOM 179 CA LYS A 13 32.248 18.449 28.464 1.00 0.00 C ATOM 180 C LYS A 13 32.947 18.098 27.136 1.00 0.00 C ATOM 181 O LYS A 13 34.172 18.207 27.027 1.00 0.00 O ATOM 182 CB LYS A 13 31.353 19.706 28.354 1.00 0.00 C ATOM 183 CG LYS A 13 29.878 19.471 27.993 1.00 0.00 C ATOM 184 CD LYS A 13 29.096 18.657 29.040 1.00 0.00 C ATOM 185 CE LYS A 13 27.607 18.679 28.675 1.00 0.00 C ATOM 186 NZ LYS A 13 26.771 17.846 29.574 1.00 0.00 N ATOM 0 H LYS A 13 33.377 19.699 29.692 1.00 0.00 H new ATOM 0 HA LYS A 13 31.631 17.581 28.698 1.00 0.00 H new ATOM 0 HB2 LYS A 13 31.391 20.235 29.306 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.786 20.368 27.604 1.00 0.00 H new ATOM 0 HG2 LYS A 13 29.389 20.436 27.860 1.00 0.00 H new ATOM 0 HG3 LYS A 13 29.828 18.954 27.035 1.00 0.00 H new ATOM 0 HD2 LYS A 13 29.462 17.631 29.070 1.00 0.00 H new ATOM 0 HD3 LYS A 13 29.247 19.078 30.034 1.00 0.00 H new ATOM 0 HE2 LYS A 13 27.248 19.708 28.705 1.00 0.00 H new ATOM 0 HE3 LYS A 13 27.486 18.329 27.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 25.777 17.903 29.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.090 16.857 29.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 26.859 18.193 30.550 1.00 0.00 H new ATOM 200 N TYR A 14 32.176 17.694 26.123 1.00 0.00 N ATOM 201 CA TYR A 14 32.677 17.464 24.757 1.00 0.00 C ATOM 202 C TYR A 14 32.590 18.747 23.910 1.00 0.00 C ATOM 203 O TYR A 14 32.001 19.741 24.336 1.00 0.00 O ATOM 204 CB TYR A 14 31.931 16.284 24.107 1.00 0.00 C ATOM 205 CG TYR A 14 31.920 14.974 24.888 1.00 0.00 C ATOM 206 CD1 TYR A 14 33.089 14.490 25.516 1.00 0.00 C ATOM 207 CD2 TYR A 14 30.736 14.213 24.952 1.00 0.00 C ATOM 208 CE1 TYR A 14 33.070 13.260 26.205 1.00 0.00 C ATOM 209 CE2 TYR A 14 30.710 12.988 25.646 1.00 0.00 C ATOM 210 CZ TYR A 14 31.880 12.503 26.263 1.00 0.00 C ATOM 211 OH TYR A 14 31.856 11.301 26.899 1.00 0.00 O ATOM 0 H TYR A 14 31.177 17.515 26.224 1.00 0.00 H new ATOM 0 HA TYR A 14 33.732 17.197 24.811 1.00 0.00 H new ATOM 0 HB2 TYR A 14 30.898 16.587 23.934 1.00 0.00 H new ATOM 0 HB3 TYR A 14 32.376 16.095 23.130 1.00 0.00 H new ATOM 0 HD1 TYR A 14 34.002 15.065 25.468 1.00 0.00 H new ATOM 0 HD2 TYR A 14 29.841 14.572 24.465 1.00 0.00 H new ATOM 0 HE1 TYR A 14 33.965 12.897 26.688 1.00 0.00 H new ATOM 0 HE2 TYR A 14 29.793 12.420 25.705 1.00 0.00 H new ATOM 0 HH TYR A 14 30.955 10.919 26.842 1.00 0.00 H new ATOM 221 N GLU A 15 33.191 18.762 22.719 1.00 0.00 N ATOM 222 CA GLU A 15 33.322 19.987 21.912 1.00 0.00 C ATOM 223 C GLU A 15 32.046 20.421 21.160 1.00 0.00 C ATOM 224 O GLU A 15 31.151 19.619 20.871 1.00 0.00 O ATOM 225 CB GLU A 15 34.549 19.890 20.992 1.00 0.00 C ATOM 226 CG GLU A 15 34.356 18.950 19.796 1.00 0.00 C ATOM 227 CD GLU A 15 35.709 18.538 19.218 1.00 0.00 C ATOM 228 OE1 GLU A 15 36.259 19.266 18.356 1.00 0.00 O ATOM 229 OE2 GLU A 15 36.241 17.478 19.640 1.00 0.00 O ATOM 0 H GLU A 15 33.600 17.934 22.285 1.00 0.00 H new ATOM 0 HA GLU A 15 33.477 20.798 22.623 1.00 0.00 H new ATOM 0 HB2 GLU A 15 34.794 20.886 20.623 1.00 0.00 H new ATOM 0 HB3 GLU A 15 35.403 19.548 21.576 1.00 0.00 H new ATOM 0 HG2 GLU A 15 33.802 18.065 20.107 1.00 0.00 H new ATOM 0 HG3 GLU A 15 33.761 19.445 19.028 1.00 0.00 H new ATOM 236 N CYS A 16 31.970 21.716 20.840 1.00 0.00 N ATOM 237 CA CYS A 16 30.776 22.380 20.318 1.00 0.00 C ATOM 238 C CYS A 16 30.632 22.326 18.785 1.00 0.00 C ATOM 239 O CYS A 16 31.605 22.115 18.052 1.00 0.00 O ATOM 240 CB CYS A 16 30.705 23.805 20.888 1.00 0.00 C ATOM 241 SG CYS A 16 31.816 25.026 20.136 1.00 0.00 S ATOM 0 H CYS A 16 32.763 22.349 20.941 1.00 0.00 H new ATOM 0 HA CYS A 16 29.908 21.817 20.661 1.00 0.00 H new ATOM 0 HB2 CYS A 16 29.681 24.164 20.785 1.00 0.00 H new ATOM 0 HB3 CYS A 16 30.920 23.758 21.955 1.00 0.00 H new ATOM 246 N LEU A 17 29.399 22.523 18.304 1.00 0.00 N ATOM 247 CA LEU A 17 29.020 22.491 16.883 1.00 0.00 C ATOM 248 C LEU A 17 29.337 23.806 16.152 1.00 0.00 C ATOM 249 O LEU A 17 29.780 23.797 14.998 1.00 0.00 O ATOM 250 CB LEU A 17 27.508 22.184 16.831 1.00 0.00 C ATOM 251 CG LEU A 17 26.845 22.236 15.440 1.00 0.00 C ATOM 252 CD1 LEU A 17 27.400 21.169 14.505 1.00 0.00 C ATOM 253 CD2 LEU A 17 25.339 22.017 15.570 1.00 0.00 C ATOM 0 H LEU A 17 28.606 22.717 18.916 1.00 0.00 H new ATOM 0 HA LEU A 17 29.601 21.726 16.368 1.00 0.00 H new ATOM 0 HB2 LEU A 17 27.347 21.191 17.249 1.00 0.00 H new ATOM 0 HB3 LEU A 17 26.993 22.891 17.481 1.00 0.00 H new ATOM 0 HG LEU A 17 27.060 23.219 15.021 1.00 0.00 H new ATOM 0 HD11 LEU A 17 26.906 21.241 13.536 1.00 0.00 H new ATOM 0 HD12 LEU A 17 28.472 21.319 14.377 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.220 20.182 14.932 1.00 0.00 H new ATOM 0 HD21 LEU A 17 24.879 22.055 14.582 1.00 0.00 H new ATOM 0 HD22 LEU A 17 25.151 21.042 16.020 1.00 0.00 H new ATOM 0 HD23 LEU A 17 24.911 22.797 16.200 1.00 0.00 H new ATOM 265 N LYS A 18 29.062 24.935 16.810 1.00 0.00 N ATOM 266 CA LYS A 18 28.971 26.269 16.203 1.00 0.00 C ATOM 267 C LYS A 18 29.449 27.361 17.164 1.00 0.00 C ATOM 268 O LYS A 18 29.038 27.380 18.326 1.00 0.00 O ATOM 269 CB LYS A 18 27.505 26.479 15.775 1.00 0.00 C ATOM 270 CG LYS A 18 27.220 27.773 14.994 1.00 0.00 C ATOM 271 CD LYS A 18 28.009 27.935 13.682 1.00 0.00 C ATOM 272 CE LYS A 18 27.769 26.753 12.732 1.00 0.00 C ATOM 273 NZ LYS A 18 28.279 27.024 11.370 1.00 0.00 N ATOM 0 H LYS A 18 28.890 24.948 17.815 1.00 0.00 H new ATOM 0 HA LYS A 18 29.627 26.336 15.335 1.00 0.00 H new ATOM 0 HB2 LYS A 18 27.199 25.631 15.162 1.00 0.00 H new ATOM 0 HB3 LYS A 18 26.880 26.469 16.668 1.00 0.00 H new ATOM 0 HG2 LYS A 18 26.155 27.813 14.766 1.00 0.00 H new ATOM 0 HG3 LYS A 18 27.440 28.624 15.639 1.00 0.00 H new ATOM 0 HD2 LYS A 18 27.715 28.863 13.192 1.00 0.00 H new ATOM 0 HD3 LYS A 18 29.073 28.015 13.904 1.00 0.00 H new ATOM 0 HE2 LYS A 18 28.256 25.863 13.131 1.00 0.00 H new ATOM 0 HE3 LYS A 18 26.702 26.538 12.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 28.097 26.201 10.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 27.797 27.858 10.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 29.302 27.204 11.412 1.00 0.00 H new ATOM 287 N LEU A 19 30.281 28.272 16.659 1.00 0.00 N ATOM 288 CA LEU A 19 30.657 29.527 17.320 1.00 0.00 C ATOM 289 C LEU A 19 29.665 30.635 16.918 1.00 0.00 C ATOM 290 O LEU A 19 29.064 30.582 15.841 1.00 0.00 O ATOM 291 CB LEU A 19 32.118 29.890 16.970 1.00 0.00 C ATOM 292 CG LEU A 19 33.241 29.116 17.698 1.00 0.00 C ATOM 293 CD1 LEU A 19 33.256 29.389 19.203 1.00 0.00 C ATOM 294 CD2 LEU A 19 33.199 27.602 17.491 1.00 0.00 C ATOM 0 H LEU A 19 30.728 28.155 15.749 1.00 0.00 H new ATOM 0 HA LEU A 19 30.605 29.413 18.403 1.00 0.00 H new ATOM 0 HB2 LEU A 19 32.252 29.747 15.898 1.00 0.00 H new ATOM 0 HB3 LEU A 19 32.258 30.952 17.170 1.00 0.00 H new ATOM 0 HG LEU A 19 34.152 29.497 17.236 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.063 28.822 19.668 1.00 0.00 H new ATOM 0 HD12 LEU A 19 33.413 30.453 19.378 1.00 0.00 H new ATOM 0 HD13 LEU A 19 32.303 29.087 19.637 1.00 0.00 H new ATOM 0 HD21 LEU A 19 34.021 27.137 18.036 1.00 0.00 H new ATOM 0 HD22 LEU A 19 32.251 27.210 17.861 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.295 27.377 16.429 1.00 0.00 H new ATOM 306 N GLY A 20 29.469 31.634 17.780 1.00 0.00 N ATOM 307 CA GLY A 20 28.357 32.585 17.667 1.00 0.00 C ATOM 308 C GLY A 20 26.998 31.978 18.051 1.00 0.00 C ATOM 309 O GLY A 20 26.937 30.943 18.721 1.00 0.00 O ATOM 0 H GLY A 20 30.078 31.809 18.579 1.00 0.00 H new ATOM 0 HA2 GLY A 20 28.557 33.445 18.306 1.00 0.00 H new ATOM 0 HA3 GLY A 20 28.306 32.954 16.643 1.00 0.00 H new ATOM 313 N ASP A 21 25.895 32.613 17.650 1.00 0.00 N ATOM 314 CA ASP A 21 24.543 32.213 18.068 1.00 0.00 C ATOM 315 C ASP A 21 24.153 30.814 17.555 1.00 0.00 C ATOM 316 O ASP A 21 24.162 30.565 16.346 1.00 0.00 O ATOM 317 CB ASP A 21 23.519 33.258 17.606 1.00 0.00 C ATOM 318 CG ASP A 21 22.095 32.879 18.020 1.00 0.00 C ATOM 319 OD1 ASP A 21 21.864 32.547 19.203 1.00 0.00 O ATOM 320 OD2 ASP A 21 21.181 32.921 17.160 1.00 0.00 O ATOM 0 H ASP A 21 25.910 33.420 17.026 1.00 0.00 H new ATOM 0 HA ASP A 21 24.544 32.160 19.157 1.00 0.00 H new ATOM 0 HB2 ASP A 21 23.774 34.229 18.029 1.00 0.00 H new ATOM 0 HB3 ASP A 21 23.568 33.360 16.522 1.00 0.00 H new ATOM 325 N ASN A 22 23.768 29.915 18.466 1.00 0.00 N ATOM 326 CA ASN A 22 23.386 28.526 18.177 1.00 0.00 C ATOM 327 C ASN A 22 22.380 27.965 19.208 1.00 0.00 C ATOM 328 O ASN A 22 22.293 28.467 20.331 1.00 0.00 O ATOM 329 CB ASN A 22 24.669 27.673 18.094 1.00 0.00 C ATOM 330 CG ASN A 22 25.380 27.484 19.422 1.00 0.00 C ATOM 331 OD1 ASN A 22 25.323 26.433 20.042 1.00 0.00 O ATOM 332 ND2 ASN A 22 26.112 28.463 19.890 1.00 0.00 N ATOM 0 H ASN A 22 23.711 30.140 19.459 1.00 0.00 H new ATOM 0 HA ASN A 22 22.865 28.491 17.220 1.00 0.00 H new ATOM 0 HB2 ASN A 22 24.415 26.694 17.689 1.00 0.00 H new ATOM 0 HB3 ASN A 22 25.357 28.140 17.390 1.00 0.00 H new ATOM 0 HD21 ASN A 22 26.626 28.343 20.763 1.00 0.00 H new ATOM 0 HD22 ASN A 22 26.168 29.346 19.382 1.00 0.00 H new ATOM 339 N ASP A 23 21.638 26.915 18.843 1.00 0.00 N ATOM 340 CA ASP A 23 20.727 26.180 19.742 1.00 0.00 C ATOM 341 C ASP A 23 21.439 25.015 20.457 1.00 0.00 C ATOM 342 O ASP A 23 21.060 24.645 21.569 1.00 0.00 O ATOM 343 CB ASP A 23 19.527 25.679 18.920 1.00 0.00 C ATOM 344 CG ASP A 23 18.424 25.029 19.763 1.00 0.00 C ATOM 345 OD1 ASP A 23 17.577 25.768 20.322 1.00 0.00 O ATOM 346 OD2 ASP A 23 18.345 23.779 19.792 1.00 0.00 O ATOM 0 H ASP A 23 21.650 26.540 17.895 1.00 0.00 H new ATOM 0 HA ASP A 23 20.382 26.854 20.526 1.00 0.00 H new ATOM 0 HB2 ASP A 23 19.102 26.517 18.368 1.00 0.00 H new ATOM 0 HB3 ASP A 23 19.880 24.958 18.183 1.00 0.00 H new ATOM 351 N TYR A 24 22.501 24.475 19.843 1.00 0.00 N ATOM 352 CA TYR A 24 23.282 23.334 20.334 1.00 0.00 C ATOM 353 C TYR A 24 23.797 23.515 21.771 1.00 0.00 C ATOM 354 O TYR A 24 23.629 22.606 22.580 1.00 0.00 O ATOM 355 CB TYR A 24 24.434 23.076 19.351 1.00 0.00 C ATOM 356 CG TYR A 24 25.387 21.947 19.713 1.00 0.00 C ATOM 357 CD1 TYR A 24 26.443 22.172 20.621 1.00 0.00 C ATOM 358 CD2 TYR A 24 25.253 20.684 19.102 1.00 0.00 C ATOM 359 CE1 TYR A 24 27.363 21.147 20.910 1.00 0.00 C ATOM 360 CE2 TYR A 24 26.200 19.671 19.355 1.00 0.00 C ATOM 361 CZ TYR A 24 27.268 19.906 20.245 1.00 0.00 C ATOM 362 OH TYR A 24 28.226 18.956 20.412 1.00 0.00 O ATOM 0 H TYR A 24 22.852 24.836 18.956 1.00 0.00 H new ATOM 0 HA TYR A 24 22.623 22.467 20.381 1.00 0.00 H new ATOM 0 HB2 TYR A 24 24.007 22.862 18.371 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.013 23.994 19.253 1.00 0.00 H new ATOM 0 HD1 TYR A 24 26.546 23.136 21.097 1.00 0.00 H new ATOM 0 HD2 TYR A 24 24.423 20.492 18.438 1.00 0.00 H new ATOM 0 HE1 TYR A 24 28.142 21.310 21.641 1.00 0.00 H new ATOM 0 HE2 TYR A 24 26.107 18.713 18.866 1.00 0.00 H new ATOM 0 HH TYR A 24 29.093 19.388 20.558 1.00 0.00 H new ATOM 372 N CYS A 25 24.383 24.663 22.129 1.00 0.00 N ATOM 373 CA CYS A 25 24.816 24.911 23.510 1.00 0.00 C ATOM 374 C CYS A 25 23.665 25.339 24.432 1.00 0.00 C ATOM 375 O CYS A 25 23.665 24.978 25.609 1.00 0.00 O ATOM 376 CB CYS A 25 25.969 25.923 23.544 1.00 0.00 C ATOM 377 SG CYS A 25 27.587 25.293 23.028 1.00 0.00 S ATOM 0 H CYS A 25 24.568 25.432 21.485 1.00 0.00 H new ATOM 0 HA CYS A 25 25.178 23.961 23.903 1.00 0.00 H new ATOM 0 HB2 CYS A 25 25.707 26.765 22.904 1.00 0.00 H new ATOM 0 HB3 CYS A 25 26.058 26.310 24.559 1.00 0.00 H new ATOM 382 N LEU A 26 22.653 26.047 23.921 1.00 0.00 N ATOM 383 CA LEU A 26 21.531 26.517 24.736 1.00 0.00 C ATOM 384 C LEU A 26 20.691 25.351 25.287 1.00 0.00 C ATOM 385 O LEU A 26 20.401 25.323 26.486 1.00 0.00 O ATOM 386 CB LEU A 26 20.708 27.527 23.917 1.00 0.00 C ATOM 387 CG LEU A 26 19.594 28.232 24.713 1.00 0.00 C ATOM 388 CD1 LEU A 26 20.121 28.967 25.948 1.00 0.00 C ATOM 389 CD2 LEU A 26 18.909 29.266 23.821 1.00 0.00 C ATOM 0 H LEU A 26 22.589 26.309 22.937 1.00 0.00 H new ATOM 0 HA LEU A 26 21.911 27.028 25.620 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.381 28.282 23.511 1.00 0.00 H new ATOM 0 HB3 LEU A 26 20.260 27.010 23.069 1.00 0.00 H new ATOM 0 HG LEU A 26 18.905 27.454 25.040 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.291 29.444 26.469 1.00 0.00 H new ATOM 0 HD12 LEU A 26 20.607 28.255 26.615 1.00 0.00 H new ATOM 0 HD13 LEU A 26 20.841 29.726 25.640 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.120 29.766 24.383 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.641 30.003 23.490 1.00 0.00 H new ATOM 0 HD23 LEU A 26 18.476 28.768 22.953 1.00 0.00 H new ATOM 401 N ARG A 27 20.385 24.335 24.464 1.00 0.00 N ATOM 402 CA ARG A 27 19.717 23.104 24.936 1.00 0.00 C ATOM 403 C ARG A 27 20.574 22.330 25.947 1.00 0.00 C ATOM 404 O ARG A 27 20.037 21.760 26.898 1.00 0.00 O ATOM 405 CB ARG A 27 19.272 22.230 23.741 1.00 0.00 C ATOM 406 CG ARG A 27 20.419 21.468 23.054 1.00 0.00 C ATOM 407 CD ARG A 27 19.969 20.611 21.868 1.00 0.00 C ATOM 408 NE ARG A 27 19.746 21.412 20.650 1.00 0.00 N ATOM 409 CZ ARG A 27 20.092 21.085 19.419 1.00 0.00 C ATOM 410 NH1 ARG A 27 20.685 19.976 19.098 1.00 0.00 N ATOM 411 NH2 ARG A 27 19.834 21.894 18.444 1.00 0.00 N ATOM 0 H ARG A 27 20.589 24.339 23.465 1.00 0.00 H new ATOM 0 HA ARG A 27 18.817 23.399 25.476 1.00 0.00 H new ATOM 0 HB2 ARG A 27 18.530 21.511 24.088 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.780 22.865 23.004 1.00 0.00 H new ATOM 0 HG2 ARG A 27 21.164 22.185 22.710 1.00 0.00 H new ATOM 0 HG3 ARG A 27 20.908 20.828 23.788 1.00 0.00 H new ATOM 0 HD2 ARG A 27 20.723 19.850 21.666 1.00 0.00 H new ATOM 0 HD3 ARG A 27 19.049 20.088 22.129 1.00 0.00 H new ATOM 0 HE ARG A 27 19.277 22.310 20.771 1.00 0.00 H new ATOM 0 HH11 ARG A 27 20.912 19.292 19.820 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.924 19.789 18.124 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.365 22.781 18.628 1.00 0.00 H new ATOM 0 HH22 ARG A 27 20.100 21.645 17.491 1.00 0.00 H new ATOM 425 N GLU A 28 21.897 22.357 25.767 1.00 0.00 N ATOM 426 CA GLU A 28 22.883 21.651 26.595 1.00 0.00 C ATOM 427 C GLU A 28 22.994 22.252 28.006 1.00 0.00 C ATOM 428 O GLU A 28 23.152 21.504 28.973 1.00 0.00 O ATOM 429 CB GLU A 28 24.245 21.688 25.870 1.00 0.00 C ATOM 430 CG GLU A 28 25.195 20.539 26.219 1.00 0.00 C ATOM 431 CD GLU A 28 24.675 19.186 25.731 1.00 0.00 C ATOM 432 OE1 GLU A 28 24.314 19.043 24.540 1.00 0.00 O ATOM 433 OE2 GLU A 28 24.608 18.240 26.547 1.00 0.00 O ATOM 0 H GLU A 28 22.329 22.891 25.013 1.00 0.00 H new ATOM 0 HA GLU A 28 22.557 20.620 26.729 1.00 0.00 H new ATOM 0 HB2 GLU A 28 24.068 21.679 24.795 1.00 0.00 H new ATOM 0 HB3 GLU A 28 24.739 22.631 26.104 1.00 0.00 H new ATOM 0 HG2 GLU A 28 26.172 20.731 25.776 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.336 20.503 27.299 1.00 0.00 H new ATOM 440 N CYS A 29 22.844 23.578 28.125 1.00 0.00 N ATOM 441 CA CYS A 29 22.738 24.306 29.392 1.00 0.00 C ATOM 442 C CYS A 29 21.374 24.096 30.071 1.00 0.00 C ATOM 443 O CYS A 29 21.323 23.742 31.253 1.00 0.00 O ATOM 444 CB CYS A 29 22.985 25.800 29.132 1.00 0.00 C ATOM 445 SG CYS A 29 24.669 26.218 28.607 1.00 0.00 S ATOM 0 H CYS A 29 22.792 24.192 27.313 1.00 0.00 H new ATOM 0 HA CYS A 29 23.492 23.915 30.075 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.287 26.141 28.367 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.756 26.354 30.042 1.00 0.00 H new ATOM 450 N LYS A 30 20.263 24.244 29.330 1.00 0.00 N ATOM 451 CA LYS A 30 18.893 24.159 29.879 1.00 0.00 C ATOM 452 C LYS A 30 18.553 22.802 30.520 1.00 0.00 C ATOM 453 O LYS A 30 17.715 22.761 31.421 1.00 0.00 O ATOM 454 CB LYS A 30 17.870 24.533 28.789 1.00 0.00 C ATOM 455 CG LYS A 30 17.790 26.043 28.501 1.00 0.00 C ATOM 456 CD LYS A 30 16.767 26.324 27.386 1.00 0.00 C ATOM 457 CE LYS A 30 16.643 27.827 27.111 1.00 0.00 C ATOM 458 NZ LYS A 30 15.579 28.131 26.121 1.00 0.00 N ATOM 0 H LYS A 30 20.287 24.427 28.327 1.00 0.00 H new ATOM 0 HA LYS A 30 18.841 24.878 30.697 1.00 0.00 H new ATOM 0 HB2 LYS A 30 18.128 24.010 27.868 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.885 24.178 29.092 1.00 0.00 H new ATOM 0 HG2 LYS A 30 17.506 26.578 29.407 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.771 26.416 28.206 1.00 0.00 H new ATOM 0 HD2 LYS A 30 17.069 25.809 26.474 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.795 25.923 27.672 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.429 28.349 28.044 1.00 0.00 H new ATOM 0 HE3 LYS A 30 17.597 28.207 26.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.532 29.158 25.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.795 27.655 25.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.664 27.792 26.480 1.00 0.00 H new ATOM 472 N GLN A 31 19.231 21.714 30.129 1.00 0.00 N ATOM 473 CA GLN A 31 19.076 20.378 30.738 1.00 0.00 C ATOM 474 C GLN A 31 19.932 20.143 32.004 1.00 0.00 C ATOM 475 O GLN A 31 19.789 19.108 32.659 1.00 0.00 O ATOM 476 CB GLN A 31 19.280 19.278 29.678 1.00 0.00 C ATOM 477 CG GLN A 31 20.734 19.109 29.217 1.00 0.00 C ATOM 478 CD GLN A 31 20.877 18.045 28.134 1.00 0.00 C ATOM 479 OE1 GLN A 31 21.153 18.340 26.980 1.00 0.00 O ATOM 480 NE2 GLN A 31 20.705 16.780 28.445 1.00 0.00 N ATOM 0 H GLN A 31 19.913 21.734 29.371 1.00 0.00 H new ATOM 0 HA GLN A 31 18.050 20.327 31.103 1.00 0.00 H new ATOM 0 HB2 GLN A 31 18.927 18.330 30.083 1.00 0.00 H new ATOM 0 HB3 GLN A 31 18.660 19.506 28.811 1.00 0.00 H new ATOM 0 HG2 GLN A 31 21.106 20.061 28.839 1.00 0.00 H new ATOM 0 HG3 GLN A 31 21.355 18.840 30.072 1.00 0.00 H new ATOM 0 HE21 GLN A 31 20.474 16.517 29.403 1.00 0.00 H new ATOM 0 HE22 GLN A 31 20.802 16.061 27.728 1.00 0.00 H new ATOM 489 N GLN A 32 20.816 21.079 32.371 1.00 0.00 N ATOM 490 CA GLN A 32 21.593 21.058 33.622 1.00 0.00 C ATOM 491 C GLN A 32 21.115 22.138 34.608 1.00 0.00 C ATOM 492 O GLN A 32 21.047 21.891 35.812 1.00 0.00 O ATOM 493 CB GLN A 32 23.085 21.254 33.283 1.00 0.00 C ATOM 494 CG GLN A 32 24.042 21.047 34.477 1.00 0.00 C ATOM 495 CD GLN A 32 24.367 19.587 34.790 1.00 0.00 C ATOM 496 OE1 GLN A 32 23.824 18.646 34.219 1.00 0.00 O ATOM 497 NE2 GLN A 32 25.276 19.331 35.700 1.00 0.00 N ATOM 0 H GLN A 32 21.018 21.895 31.793 1.00 0.00 H new ATOM 0 HA GLN A 32 21.446 20.095 34.111 1.00 0.00 H new ATOM 0 HB2 GLN A 32 23.359 20.560 32.489 1.00 0.00 H new ATOM 0 HB3 GLN A 32 23.227 22.261 32.890 1.00 0.00 H new ATOM 0 HG2 GLN A 32 24.973 21.577 34.275 1.00 0.00 H new ATOM 0 HG3 GLN A 32 23.601 21.505 35.362 1.00 0.00 H new ATOM 0 HE21 GLN A 32 25.740 20.098 36.187 1.00 0.00 H new ATOM 0 HE22 GLN A 32 25.519 18.365 35.921 1.00 0.00 H new ATOM 506 N TYR A 33 20.788 23.330 34.100 1.00 0.00 N ATOM 507 CA TYR A 33 20.672 24.566 34.883 1.00 0.00 C ATOM 508 C TYR A 33 19.264 25.197 34.895 1.00 0.00 C ATOM 509 O TYR A 33 19.095 26.324 35.375 1.00 0.00 O ATOM 510 CB TYR A 33 21.743 25.539 34.370 1.00 0.00 C ATOM 511 CG TYR A 33 23.185 25.078 34.547 1.00 0.00 C ATOM 512 CD1 TYR A 33 23.681 24.758 35.828 1.00 0.00 C ATOM 513 CD2 TYR A 33 24.053 25.036 33.439 1.00 0.00 C ATOM 514 CE1 TYR A 33 25.027 24.375 35.998 1.00 0.00 C ATOM 515 CE2 TYR A 33 25.403 24.670 33.611 1.00 0.00 C ATOM 516 CZ TYR A 33 25.892 24.321 34.885 1.00 0.00 C ATOM 517 OH TYR A 33 27.189 23.936 35.024 1.00 0.00 O ATOM 0 H TYR A 33 20.592 23.467 33.108 1.00 0.00 H new ATOM 0 HA TYR A 33 20.838 24.321 35.932 1.00 0.00 H new ATOM 0 HB2 TYR A 33 21.566 25.722 33.310 1.00 0.00 H new ATOM 0 HB3 TYR A 33 21.619 26.493 34.883 1.00 0.00 H new ATOM 0 HD1 TYR A 33 23.025 24.807 36.685 1.00 0.00 H new ATOM 0 HD2 TYR A 33 23.683 25.285 32.455 1.00 0.00 H new ATOM 0 HE1 TYR A 33 25.396 24.123 36.981 1.00 0.00 H new ATOM 0 HE2 TYR A 33 26.068 24.657 32.760 1.00 0.00 H new ATOM 0 HH TYR A 33 27.423 23.914 35.975 1.00 0.00 H new ATOM 527 N GLY A 34 18.250 24.481 34.398 1.00 0.00 N ATOM 528 CA GLY A 34 16.863 24.949 34.299 1.00 0.00 C ATOM 529 C GLY A 34 16.555 25.734 33.016 1.00 0.00 C ATOM 530 O GLY A 34 17.447 26.270 32.351 1.00 0.00 O ATOM 0 H GLY A 34 18.375 23.533 34.043 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.196 24.089 34.354 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.642 25.580 35.160 1.00 0.00 H new ATOM 534 N LYS A 35 15.267 25.799 32.655 1.00 0.00 N ATOM 535 CA LYS A 35 14.780 26.272 31.340 1.00 0.00 C ATOM 536 C LYS A 35 15.024 27.758 31.042 1.00 0.00 C ATOM 537 O LYS A 35 15.050 28.142 29.874 1.00 0.00 O ATOM 538 CB LYS A 35 13.299 25.874 31.164 1.00 0.00 C ATOM 539 CG LYS A 35 12.326 26.485 32.192 1.00 0.00 C ATOM 540 CD LYS A 35 11.599 27.749 31.714 1.00 0.00 C ATOM 541 CE LYS A 35 10.853 28.373 32.901 1.00 0.00 C ATOM 542 NZ LYS A 35 9.751 29.260 32.465 1.00 0.00 N ATOM 0 H LYS A 35 14.511 25.519 33.280 1.00 0.00 H new ATOM 0 HA LYS A 35 15.389 25.767 30.590 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.977 26.168 30.165 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.223 24.788 31.217 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.583 25.734 32.459 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.880 26.722 33.100 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.313 28.461 31.301 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.898 27.502 30.916 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.451 27.581 33.532 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.555 28.942 33.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.276 29.659 33.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.136 30.032 31.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.066 28.713 31.905 1.00 0.00 H new ATOM 556 N SER A 36 15.237 28.586 32.064 1.00 0.00 N ATOM 557 CA SER A 36 15.524 30.024 31.922 1.00 0.00 C ATOM 558 C SER A 36 17.011 30.331 31.682 1.00 0.00 C ATOM 559 O SER A 36 17.335 31.442 31.261 1.00 0.00 O ATOM 560 CB SER A 36 15.013 30.803 33.142 1.00 0.00 C ATOM 561 OG SER A 36 13.680 30.424 33.454 1.00 0.00 O ATOM 0 H SER A 36 15.216 28.276 33.035 1.00 0.00 H new ATOM 0 HA SER A 36 14.990 30.351 31.030 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.660 30.614 33.998 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.055 31.873 32.941 1.00 0.00 H new ATOM 0 HG SER A 36 13.371 30.929 34.235 1.00 0.00 H new ATOM 567 N SER A 37 17.916 29.372 31.924 1.00 0.00 N ATOM 568 CA SER A 37 19.370 29.553 31.761 1.00 0.00 C ATOM 569 C SER A 37 19.793 29.820 30.306 1.00 0.00 C ATOM 570 O SER A 37 19.142 29.374 29.356 1.00 0.00 O ATOM 571 CB SER A 37 20.151 28.371 32.351 1.00 0.00 C ATOM 572 OG SER A 37 19.887 27.157 31.673 1.00 0.00 O ATOM 0 H SER A 37 17.659 28.438 32.242 1.00 0.00 H new ATOM 0 HA SER A 37 19.623 30.452 32.324 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.219 28.585 32.304 1.00 0.00 H new ATOM 0 HB3 SER A 37 19.894 28.259 33.404 1.00 0.00 H new ATOM 0 HG SER A 37 19.010 26.815 31.945 1.00 0.00 H new ATOM 578 N GLY A 38 20.874 30.582 30.132 1.00 0.00 N ATOM 579 CA GLY A 38 21.488 30.905 28.839 1.00 0.00 C ATOM 580 C GLY A 38 22.780 30.121 28.583 1.00 0.00 C ATOM 581 O GLY A 38 23.249 29.373 29.443 1.00 0.00 O ATOM 0 H GLY A 38 21.366 31.008 30.917 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.776 30.694 28.041 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.703 31.973 28.800 1.00 0.00 H new ATOM 585 N GLY A 39 23.386 30.311 27.407 1.00 0.00 N ATOM 586 CA GLY A 39 24.677 29.702 27.072 1.00 0.00 C ATOM 587 C GLY A 39 25.221 29.998 25.670 1.00 0.00 C ATOM 588 O GLY A 39 24.492 30.437 24.776 1.00 0.00 O ATOM 0 H GLY A 39 22.997 30.889 26.662 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.413 30.036 27.803 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.585 28.622 27.183 1.00 0.00 H new ATOM 592 N TYR A 40 26.522 29.769 25.494 1.00 0.00 N ATOM 593 CA TYR A 40 27.297 29.979 24.264 1.00 0.00 C ATOM 594 C TYR A 40 28.522 29.045 24.230 1.00 0.00 C ATOM 595 O TYR A 40 28.938 28.535 25.267 1.00 0.00 O ATOM 596 CB TYR A 40 27.717 31.460 24.164 1.00 0.00 C ATOM 597 CG TYR A 40 28.640 31.998 25.252 1.00 0.00 C ATOM 598 CD1 TYR A 40 28.103 32.513 26.449 1.00 0.00 C ATOM 599 CD2 TYR A 40 30.030 32.072 25.032 1.00 0.00 C ATOM 600 CE1 TYR A 40 28.948 33.090 27.419 1.00 0.00 C ATOM 601 CE2 TYR A 40 30.880 32.641 26.004 1.00 0.00 C ATOM 602 CZ TYR A 40 30.343 33.149 27.205 1.00 0.00 C ATOM 603 OH TYR A 40 31.162 33.703 28.143 1.00 0.00 O ATOM 0 H TYR A 40 27.102 29.409 26.252 1.00 0.00 H new ATOM 0 HA TYR A 40 26.677 29.737 23.401 1.00 0.00 H new ATOM 0 HB2 TYR A 40 28.207 31.608 23.202 1.00 0.00 H new ATOM 0 HB3 TYR A 40 26.812 32.068 24.158 1.00 0.00 H new ATOM 0 HD1 TYR A 40 27.038 32.465 26.624 1.00 0.00 H new ATOM 0 HD2 TYR A 40 30.448 31.690 24.112 1.00 0.00 H new ATOM 0 HE1 TYR A 40 28.527 33.489 28.330 1.00 0.00 H new ATOM 0 HE2 TYR A 40 31.945 32.688 25.828 1.00 0.00 H new ATOM 0 HH TYR A 40 31.020 33.258 29.005 1.00 0.00 H new ATOM 613 N CYS A 41 29.142 28.809 23.071 1.00 0.00 N ATOM 614 CA CYS A 41 30.435 28.120 23.018 1.00 0.00 C ATOM 615 C CYS A 41 31.566 29.127 23.284 1.00 0.00 C ATOM 616 O CYS A 41 31.693 30.114 22.555 1.00 0.00 O ATOM 617 CB CYS A 41 30.595 27.379 21.685 1.00 0.00 C ATOM 618 SG CYS A 41 32.113 26.387 21.623 1.00 0.00 S ATOM 0 H CYS A 41 28.772 29.083 22.161 1.00 0.00 H new ATOM 0 HA CYS A 41 30.485 27.361 23.799 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.733 26.730 21.527 1.00 0.00 H new ATOM 0 HB3 CYS A 41 30.603 28.102 20.869 1.00 0.00 H new ATOM 623 N TYR A 42 32.385 28.919 24.326 1.00 0.00 N ATOM 624 CA TYR A 42 33.404 29.915 24.711 1.00 0.00 C ATOM 625 C TYR A 42 34.575 29.980 23.714 1.00 0.00 C ATOM 626 O TYR A 42 35.040 31.068 23.363 1.00 0.00 O ATOM 627 CB TYR A 42 33.884 29.680 26.156 1.00 0.00 C ATOM 628 CG TYR A 42 34.661 28.396 26.407 1.00 0.00 C ATOM 629 CD1 TYR A 42 36.054 28.353 26.192 1.00 0.00 C ATOM 630 CD2 TYR A 42 33.999 27.247 26.881 1.00 0.00 C ATOM 631 CE1 TYR A 42 36.772 27.164 26.422 1.00 0.00 C ATOM 632 CE2 TYR A 42 34.716 26.062 27.129 1.00 0.00 C ATOM 633 CZ TYR A 42 36.106 26.015 26.896 1.00 0.00 C ATOM 634 OH TYR A 42 36.798 24.868 27.117 1.00 0.00 O ATOM 0 H TYR A 42 32.366 28.084 24.911 1.00 0.00 H new ATOM 0 HA TYR A 42 32.927 30.895 24.674 1.00 0.00 H new ATOM 0 HB2 TYR A 42 34.511 30.522 26.450 1.00 0.00 H new ATOM 0 HB3 TYR A 42 33.013 29.687 26.811 1.00 0.00 H new ATOM 0 HD1 TYR A 42 36.572 29.236 25.849 1.00 0.00 H new ATOM 0 HD2 TYR A 42 32.934 27.276 27.055 1.00 0.00 H new ATOM 0 HE1 TYR A 42 37.835 27.132 26.235 1.00 0.00 H new ATOM 0 HE2 TYR A 42 34.201 25.187 27.498 1.00 0.00 H new ATOM 0 HH TYR A 42 36.187 24.175 27.443 1.00 0.00 H new ATOM 644 N ALA A 43 35.011 28.806 23.247 1.00 0.00 N ATOM 645 CA ALA A 43 36.007 28.586 22.194 1.00 0.00 C ATOM 646 C ALA A 43 35.950 27.133 21.682 1.00 0.00 C ATOM 647 O ALA A 43 36.006 26.896 20.474 1.00 0.00 O ATOM 648 CB ALA A 43 37.409 28.887 22.746 1.00 0.00 C ATOM 0 H ALA A 43 34.654 27.926 23.619 1.00 0.00 H new ATOM 0 HA ALA A 43 35.788 29.253 21.360 1.00 0.00 H new ATOM 0 HB1 ALA A 43 38.151 28.724 21.964 1.00 0.00 H new ATOM 0 HB2 ALA A 43 37.454 29.924 23.078 1.00 0.00 H new ATOM 0 HB3 ALA A 43 37.618 28.227 23.588 1.00 0.00 H new ATOM 654 N PHE A 44 35.807 26.166 22.601 1.00 0.00 N ATOM 655 CA PHE A 44 35.833 24.726 22.290 1.00 0.00 C ATOM 656 C PHE A 44 34.570 23.973 22.725 1.00 0.00 C ATOM 657 O PHE A 44 34.162 23.043 22.041 1.00 0.00 O ATOM 658 CB PHE A 44 37.075 24.088 22.936 1.00 0.00 C ATOM 659 CG PHE A 44 38.353 24.882 22.744 1.00 0.00 C ATOM 660 CD1 PHE A 44 38.880 25.078 21.453 1.00 0.00 C ATOM 661 CD2 PHE A 44 38.977 25.484 23.853 1.00 0.00 C ATOM 662 CE1 PHE A 44 40.013 25.891 21.271 1.00 0.00 C ATOM 663 CE2 PHE A 44 40.106 26.298 23.669 1.00 0.00 C ATOM 664 CZ PHE A 44 40.621 26.507 22.379 1.00 0.00 C ATOM 0 H PHE A 44 35.668 26.363 23.592 1.00 0.00 H new ATOM 0 HA PHE A 44 35.873 24.641 21.204 1.00 0.00 H new ATOM 0 HB2 PHE A 44 36.893 23.966 24.004 1.00 0.00 H new ATOM 0 HB3 PHE A 44 37.215 23.090 22.521 1.00 0.00 H new ATOM 0 HD1 PHE A 44 38.414 24.604 20.602 1.00 0.00 H new ATOM 0 HD2 PHE A 44 38.587 25.319 24.847 1.00 0.00 H new ATOM 0 HE1 PHE A 44 40.416 26.042 20.280 1.00 0.00 H new ATOM 0 HE2 PHE A 44 40.579 26.764 24.521 1.00 0.00 H new ATOM 0 HZ PHE A 44 41.484 27.141 22.238 1.00 0.00 H new ATOM 674 N ALA A 45 33.942 24.359 23.840 1.00 0.00 N ATOM 675 CA ALA A 45 32.796 23.667 24.438 1.00 0.00 C ATOM 676 C ALA A 45 31.780 24.661 25.041 1.00 0.00 C ATOM 677 O ALA A 45 32.024 25.872 25.064 1.00 0.00 O ATOM 678 CB ALA A 45 33.346 22.673 25.470 1.00 0.00 C ATOM 0 H ALA A 45 34.225 25.185 24.367 1.00 0.00 H new ATOM 0 HA ALA A 45 32.236 23.123 23.677 1.00 0.00 H new ATOM 0 HB1 ALA A 45 32.519 22.138 25.937 1.00 0.00 H new ATOM 0 HB2 ALA A 45 34.005 21.960 24.974 1.00 0.00 H new ATOM 0 HB3 ALA A 45 33.906 23.213 26.233 1.00 0.00 H new ATOM 684 N CYS A 46 30.628 24.167 25.501 1.00 0.00 N ATOM 685 CA CYS A 46 29.507 24.999 25.938 1.00 0.00 C ATOM 686 C CYS A 46 29.674 25.595 27.354 1.00 0.00 C ATOM 687 O CYS A 46 29.874 24.881 28.335 1.00 0.00 O ATOM 688 CB CYS A 46 28.228 24.168 25.815 1.00 0.00 C ATOM 689 SG CYS A 46 27.834 23.597 24.134 1.00 0.00 S ATOM 0 H CYS A 46 30.446 23.166 25.581 1.00 0.00 H new ATOM 0 HA CYS A 46 29.461 25.875 25.290 1.00 0.00 H new ATOM 0 HB2 CYS A 46 28.315 23.298 26.466 1.00 0.00 H new ATOM 0 HB3 CYS A 46 27.392 24.761 26.185 1.00 0.00 H new ATOM 694 N TRP A 47 29.539 26.917 27.458 1.00 0.00 N ATOM 695 CA TRP A 47 29.516 27.737 28.676 1.00 0.00 C ATOM 696 C TRP A 47 28.093 28.261 28.917 1.00 0.00 C ATOM 697 O TRP A 47 27.382 28.564 27.959 1.00 0.00 O ATOM 698 CB TRP A 47 30.521 28.884 28.483 1.00 0.00 C ATOM 699 CG TRP A 47 30.646 29.905 29.572 1.00 0.00 C ATOM 700 CD1 TRP A 47 29.766 30.901 29.821 1.00 0.00 C ATOM 701 CD2 TRP A 47 31.745 30.109 30.514 1.00 0.00 C ATOM 702 NE1 TRP A 47 30.240 31.705 30.837 1.00 0.00 N ATOM 703 CE2 TRP A 47 31.452 31.258 31.311 1.00 0.00 C ATOM 704 CE3 TRP A 47 32.972 29.455 30.761 1.00 0.00 C ATOM 705 CZ2 TRP A 47 32.319 31.722 32.309 1.00 0.00 C ATOM 706 CZ3 TRP A 47 33.840 29.898 31.779 1.00 0.00 C ATOM 707 CH2 TRP A 47 33.515 31.026 32.553 1.00 0.00 C ATOM 0 H TRP A 47 29.434 27.493 26.623 1.00 0.00 H new ATOM 0 HA TRP A 47 29.799 27.155 29.553 1.00 0.00 H new ATOM 0 HB2 TRP A 47 31.505 28.442 28.326 1.00 0.00 H new ATOM 0 HB3 TRP A 47 30.257 29.408 27.564 1.00 0.00 H new ATOM 0 HD1 TRP A 47 28.830 31.046 29.301 1.00 0.00 H new ATOM 0 HE1 TRP A 47 29.753 32.528 31.192 1.00 0.00 H new ATOM 0 HE3 TRP A 47 33.250 28.602 30.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 32.071 32.603 32.883 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 34.762 29.367 31.966 1.00 0.00 H new ATOM 0 HH2 TRP A 47 34.184 31.357 33.334 1.00 0.00 H new ATOM 718 N CYS A 48 27.672 28.385 30.176 1.00 0.00 N ATOM 719 CA CYS A 48 26.291 28.695 30.555 1.00 0.00 C ATOM 720 C CYS A 48 26.181 29.963 31.422 1.00 0.00 C ATOM 721 O CYS A 48 27.119 30.343 32.128 1.00 0.00 O ATOM 722 CB CYS A 48 25.666 27.464 31.223 1.00 0.00 C ATOM 723 SG CYS A 48 25.789 25.918 30.276 1.00 0.00 S ATOM 0 H CYS A 48 28.293 28.271 30.977 1.00 0.00 H new ATOM 0 HA CYS A 48 25.726 28.928 29.653 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.143 27.316 32.192 1.00 0.00 H new ATOM 0 HB3 CYS A 48 24.613 27.671 31.414 1.00 0.00 H new ATOM 728 N THR A 49 25.030 30.636 31.356 1.00 0.00 N ATOM 729 CA THR A 49 24.778 31.973 31.933 1.00 0.00 C ATOM 730 C THR A 49 23.381 32.066 32.570 1.00 0.00 C ATOM 731 O THR A 49 22.548 31.174 32.398 1.00 0.00 O ATOM 732 CB THR A 49 24.956 33.073 30.866 1.00 0.00 C ATOM 733 OG1 THR A 49 24.012 32.912 29.830 1.00 0.00 O ATOM 734 CG2 THR A 49 26.340 33.086 30.219 1.00 0.00 C ATOM 0 H THR A 49 24.211 30.256 30.882 1.00 0.00 H new ATOM 0 HA THR A 49 25.513 32.128 32.722 1.00 0.00 H new ATOM 0 HB THR A 49 24.817 34.012 31.401 1.00 0.00 H new ATOM 0 HG1 THR A 49 24.136 33.618 29.162 1.00 0.00 H new ATOM 0 HG21 THR A 49 26.389 33.886 29.480 1.00 0.00 H new ATOM 0 HG22 THR A 49 27.098 33.252 30.984 1.00 0.00 H new ATOM 0 HG23 THR A 49 26.522 32.129 29.730 1.00 0.00 H new ATOM 742 N HIS A 50 23.109 33.138 33.327 1.00 0.00 N ATOM 743 CA HIS A 50 21.859 33.348 34.087 1.00 0.00 C ATOM 744 C HIS A 50 21.524 32.212 35.081 1.00 0.00 C ATOM 745 O HIS A 50 20.364 31.877 35.342 1.00 0.00 O ATOM 746 CB HIS A 50 20.712 33.733 33.138 1.00 0.00 C ATOM 747 CG HIS A 50 19.499 34.279 33.846 1.00 0.00 C ATOM 748 ND1 HIS A 50 19.516 35.167 34.927 1.00 0.00 N ATOM 749 CD2 HIS A 50 18.208 33.948 33.566 1.00 0.00 C ATOM 750 CE1 HIS A 50 18.226 35.355 35.260 1.00 0.00 C ATOM 751 NE2 HIS A 50 17.425 34.631 34.464 1.00 0.00 N ATOM 0 H HIS A 50 23.769 33.908 33.434 1.00 0.00 H new ATOM 0 HA HIS A 50 22.018 34.198 34.750 1.00 0.00 H new ATOM 0 HB2 HIS A 50 21.073 34.477 32.428 1.00 0.00 H new ATOM 0 HB3 HIS A 50 20.421 32.856 32.560 1.00 0.00 H new ATOM 0 HD2 HIS A 50 17.867 33.279 32.790 1.00 0.00 H new ATOM 0 HE1 HIS A 50 17.883 35.999 36.057 1.00 0.00 H new ATOM 0 HE2 HIS A 50 16.407 34.594 34.517 1.00 0.00 H new ATOM 759 N LEU A 51 22.566 31.606 35.651 1.00 0.00 N ATOM 760 CA LEU A 51 22.485 30.440 36.536 1.00 0.00 C ATOM 761 C LEU A 51 21.891 30.774 37.920 1.00 0.00 C ATOM 762 O LEU A 51 21.774 31.940 38.310 1.00 0.00 O ATOM 763 CB LEU A 51 23.893 29.816 36.663 1.00 0.00 C ATOM 764 CG LEU A 51 24.593 29.473 35.330 1.00 0.00 C ATOM 765 CD1 LEU A 51 25.931 28.786 35.597 1.00 0.00 C ATOM 766 CD2 LEU A 51 23.755 28.538 34.471 1.00 0.00 C ATOM 0 H LEU A 51 23.524 31.924 35.505 1.00 0.00 H new ATOM 0 HA LEU A 51 21.797 29.721 36.092 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.528 30.506 37.219 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.815 28.905 37.257 1.00 0.00 H new ATOM 0 HG LEU A 51 24.736 30.415 34.801 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.414 28.550 34.649 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.572 29.451 36.175 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.762 27.867 36.158 1.00 0.00 H new ATOM 0 HD21 LEU A 51 24.285 28.323 33.543 1.00 0.00 H new ATOM 0 HD22 LEU A 51 23.578 27.608 35.011 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.801 29.012 34.242 1.00 0.00 H new ATOM 778 N TYR A 52 21.534 29.748 38.689 1.00 0.00 N ATOM 779 CA TYR A 52 21.318 29.863 40.134 1.00 0.00 C ATOM 780 C TYR A 52 22.665 29.975 40.877 1.00 0.00 C ATOM 781 O TYR A 52 23.668 29.389 40.461 1.00 0.00 O ATOM 782 CB TYR A 52 20.493 28.665 40.634 1.00 0.00 C ATOM 783 CG TYR A 52 19.115 28.474 40.011 1.00 0.00 C ATOM 784 CD1 TYR A 52 18.236 29.563 39.828 1.00 0.00 C ATOM 785 CD2 TYR A 52 18.686 27.175 39.670 1.00 0.00 C ATOM 786 CE1 TYR A 52 16.947 29.350 39.296 1.00 0.00 C ATOM 787 CE2 TYR A 52 17.402 26.960 39.133 1.00 0.00 C ATOM 788 CZ TYR A 52 16.527 28.049 38.942 1.00 0.00 C ATOM 789 OH TYR A 52 15.277 27.844 38.444 1.00 0.00 O ATOM 0 H TYR A 52 21.385 28.806 38.327 1.00 0.00 H new ATOM 0 HA TYR A 52 20.756 30.774 40.342 1.00 0.00 H new ATOM 0 HB2 TYR A 52 21.072 27.758 40.463 1.00 0.00 H new ATOM 0 HB3 TYR A 52 20.368 28.764 41.712 1.00 0.00 H new ATOM 0 HD1 TYR A 52 18.551 30.561 40.096 1.00 0.00 H new ATOM 0 HD2 TYR A 52 19.349 26.336 39.822 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.278 30.186 39.159 1.00 0.00 H new ATOM 0 HE2 TYR A 52 17.088 25.961 38.868 1.00 0.00 H new ATOM 0 HH TYR A 52 15.153 26.891 38.252 1.00 0.00 H new ATOM 799 N GLU A 53 22.719 30.710 41.990 1.00 0.00 N ATOM 800 CA GLU A 53 23.985 31.012 42.686 1.00 0.00 C ATOM 801 C GLU A 53 24.643 29.799 43.375 1.00 0.00 C ATOM 802 O GLU A 53 25.831 29.845 43.694 1.00 0.00 O ATOM 803 CB GLU A 53 23.809 32.196 43.651 1.00 0.00 C ATOM 804 CG GLU A 53 22.983 31.864 44.898 1.00 0.00 C ATOM 805 CD GLU A 53 22.807 33.098 45.778 1.00 0.00 C ATOM 806 OE1 GLU A 53 21.860 33.884 45.540 1.00 0.00 O ATOM 807 OE2 GLU A 53 23.621 33.298 46.709 1.00 0.00 O ATOM 0 H GLU A 53 21.896 31.113 42.437 1.00 0.00 H new ATOM 0 HA GLU A 53 24.691 31.298 41.906 1.00 0.00 H new ATOM 0 HB2 GLU A 53 24.793 32.548 43.962 1.00 0.00 H new ATOM 0 HB3 GLU A 53 23.330 33.018 43.118 1.00 0.00 H new ATOM 0 HG2 GLU A 53 22.006 31.482 44.601 1.00 0.00 H new ATOM 0 HG3 GLU A 53 23.475 31.074 45.466 1.00 0.00 H new ATOM 814 N GLN A 54 23.914 28.698 43.586 1.00 0.00 N ATOM 815 CA GLN A 54 24.453 27.435 44.124 1.00 0.00 C ATOM 816 C GLN A 54 24.810 26.400 43.031 1.00 0.00 C ATOM 817 O GLN A 54 25.188 25.269 43.354 1.00 0.00 O ATOM 818 CB GLN A 54 23.493 26.888 45.200 1.00 0.00 C ATOM 819 CG GLN A 54 23.520 27.764 46.466 1.00 0.00 C ATOM 820 CD GLN A 54 22.425 27.396 47.458 1.00 0.00 C ATOM 821 OE1 GLN A 54 21.277 27.800 47.325 1.00 0.00 O ATOM 822 NE2 GLN A 54 22.708 26.651 48.504 1.00 0.00 N ATOM 0 H GLN A 54 22.915 28.654 43.386 1.00 0.00 H new ATOM 0 HA GLN A 54 25.412 27.647 44.597 1.00 0.00 H new ATOM 0 HB2 GLN A 54 22.479 26.851 44.802 1.00 0.00 H new ATOM 0 HB3 GLN A 54 23.773 25.866 45.455 1.00 0.00 H new ATOM 0 HG2 GLN A 54 24.492 27.666 46.950 1.00 0.00 H new ATOM 0 HG3 GLN A 54 23.410 28.810 46.181 1.00 0.00 H new ATOM 0 HE21 GLN A 54 23.656 26.301 48.639 1.00 0.00 H new ATOM 0 HE22 GLN A 54 21.979 26.423 49.180 1.00 0.00 H new ATOM 831 N ALA A 55 24.714 26.763 41.745 1.00 0.00 N ATOM 832 CA ALA A 55 25.041 25.886 40.617 1.00 0.00 C ATOM 833 C ALA A 55 26.544 25.548 40.523 1.00 0.00 C ATOM 834 O ALA A 55 27.404 26.376 40.838 1.00 0.00 O ATOM 835 CB ALA A 55 24.527 26.528 39.322 1.00 0.00 C ATOM 0 H ALA A 55 24.402 27.690 41.456 1.00 0.00 H new ATOM 0 HA ALA A 55 24.543 24.930 40.779 1.00 0.00 H new ATOM 0 HB1 ALA A 55 24.766 25.883 38.476 1.00 0.00 H new ATOM 0 HB2 ALA A 55 23.447 26.659 39.385 1.00 0.00 H new ATOM 0 HB3 ALA A 55 25.003 27.499 39.183 1.00 0.00 H new ATOM 841 N VAL A 56 26.854 24.331 40.065 1.00 0.00 N ATOM 842 CA VAL A 56 28.221 23.789 39.959 1.00 0.00 C ATOM 843 C VAL A 56 28.757 23.920 38.529 1.00 0.00 C ATOM 844 O VAL A 56 28.060 23.555 37.575 1.00 0.00 O ATOM 845 CB VAL A 56 28.272 22.323 40.437 1.00 0.00 C ATOM 846 CG1 VAL A 56 29.700 21.768 40.405 1.00 0.00 C ATOM 847 CG2 VAL A 56 27.747 22.175 41.873 1.00 0.00 C ATOM 0 H VAL A 56 26.143 23.673 39.747 1.00 0.00 H new ATOM 0 HA VAL A 56 28.866 24.378 40.612 1.00 0.00 H new ATOM 0 HB VAL A 56 27.638 21.763 39.749 1.00 0.00 H new ATOM 0 HG11 VAL A 56 29.696 20.734 40.748 1.00 0.00 H new ATOM 0 HG12 VAL A 56 30.084 21.811 39.386 1.00 0.00 H new ATOM 0 HG13 VAL A 56 30.337 22.365 41.058 1.00 0.00 H new ATOM 0 HG21 VAL A 56 27.799 21.128 42.173 1.00 0.00 H new ATOM 0 HG22 VAL A 56 28.357 22.777 42.547 1.00 0.00 H new ATOM 0 HG23 VAL A 56 26.712 22.515 41.919 1.00 0.00 H new ATOM 857 N VAL A 57 29.992 24.411 38.383 1.00 0.00 N ATOM 858 CA VAL A 57 30.675 24.690 37.101 1.00 0.00 C ATOM 859 C VAL A 57 32.143 24.230 37.130 1.00 0.00 C ATOM 860 O VAL A 57 32.789 24.248 38.180 1.00 0.00 O ATOM 861 CB VAL A 57 30.572 26.186 36.725 1.00 0.00 C ATOM 862 CG1 VAL A 57 29.116 26.590 36.448 1.00 0.00 C ATOM 863 CG2 VAL A 57 31.141 27.130 37.795 1.00 0.00 C ATOM 0 H VAL A 57 30.575 24.638 39.188 1.00 0.00 H new ATOM 0 HA VAL A 57 30.164 24.114 36.330 1.00 0.00 H new ATOM 0 HB VAL A 57 31.177 26.293 35.825 1.00 0.00 H new ATOM 0 HG11 VAL A 57 29.075 27.647 36.186 1.00 0.00 H new ATOM 0 HG12 VAL A 57 28.725 25.996 35.622 1.00 0.00 H new ATOM 0 HG13 VAL A 57 28.514 26.413 37.339 1.00 0.00 H new ATOM 0 HG21 VAL A 57 31.035 28.163 37.463 1.00 0.00 H new ATOM 0 HG22 VAL A 57 30.597 26.991 38.729 1.00 0.00 H new ATOM 0 HG23 VAL A 57 32.196 26.907 37.953 1.00 0.00 H new ATOM 873 N TRP A 58 32.690 23.798 35.988 1.00 0.00 N ATOM 874 CA TRP A 58 34.031 23.188 35.918 1.00 0.00 C ATOM 875 C TRP A 58 35.165 24.243 35.979 1.00 0.00 C ATOM 876 O TRP A 58 35.058 25.281 35.313 1.00 0.00 O ATOM 877 CB TRP A 58 34.136 22.292 34.672 1.00 0.00 C ATOM 878 CG TRP A 58 35.179 21.210 34.727 1.00 0.00 C ATOM 879 CD1 TRP A 58 35.072 20.071 35.452 1.00 0.00 C ATOM 880 CD2 TRP A 58 36.468 21.110 34.033 1.00 0.00 C ATOM 881 NE1 TRP A 58 36.186 19.279 35.250 1.00 0.00 N ATOM 882 CE2 TRP A 58 37.061 19.852 34.358 1.00 0.00 C ATOM 883 CE3 TRP A 58 37.205 21.947 33.165 1.00 0.00 C ATOM 884 CZ2 TRP A 58 38.285 19.429 33.819 1.00 0.00 C ATOM 885 CZ3 TRP A 58 38.434 21.533 32.613 1.00 0.00 C ATOM 886 CH2 TRP A 58 38.971 20.273 32.931 1.00 0.00 C ATOM 0 H TRP A 58 32.220 23.859 35.085 1.00 0.00 H new ATOM 0 HA TRP A 58 34.165 22.563 36.801 1.00 0.00 H new ATOM 0 HB2 TRP A 58 33.166 21.826 34.501 1.00 0.00 H new ATOM 0 HB3 TRP A 58 34.342 22.925 33.809 1.00 0.00 H new ATOM 0 HD1 TRP A 58 34.240 19.819 36.093 1.00 0.00 H new ATOM 0 HE1 TRP A 58 36.340 18.380 35.706 1.00 0.00 H new ATOM 0 HE3 TRP A 58 36.818 22.925 32.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 38.695 18.466 34.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 38.967 22.189 31.941 1.00 0.00 H new ATOM 0 HH2 TRP A 58 39.907 19.956 32.494 1.00 0.00 H new ATOM 897 N PRO A 59 36.260 24.018 36.740 1.00 0.00 N ATOM 898 CA PRO A 59 37.288 25.032 37.008 1.00 0.00 C ATOM 899 C PRO A 59 38.332 25.145 35.878 1.00 0.00 C ATOM 900 O PRO A 59 39.487 24.736 36.013 1.00 0.00 O ATOM 901 CB PRO A 59 37.878 24.635 38.365 1.00 0.00 C ATOM 902 CG PRO A 59 37.806 23.110 38.327 1.00 0.00 C ATOM 903 CD PRO A 59 36.485 22.859 37.601 1.00 0.00 C ATOM 0 HA PRO A 59 36.872 26.039 37.042 1.00 0.00 H new ATOM 0 HB2 PRO A 59 38.902 24.990 38.481 1.00 0.00 H new ATOM 0 HB3 PRO A 59 37.302 25.047 39.194 1.00 0.00 H new ATOM 0 HG2 PRO A 59 38.651 22.677 37.792 1.00 0.00 H new ATOM 0 HG3 PRO A 59 37.807 22.679 39.328 1.00 0.00 H new ATOM 0 HD2 PRO A 59 36.533 21.942 37.013 1.00 0.00 H new ATOM 0 HD3 PRO A 59 35.668 22.739 38.312 1.00 0.00 H new ATOM 911 N LEU A 60 37.927 25.746 34.756 1.00 0.00 N ATOM 912 CA LEU A 60 38.733 25.930 33.537 1.00 0.00 C ATOM 913 C LEU A 60 40.144 26.561 33.736 1.00 0.00 C ATOM 914 O LEU A 60 41.076 26.106 33.062 1.00 0.00 O ATOM 915 CB LEU A 60 37.868 26.727 32.535 1.00 0.00 C ATOM 916 CG LEU A 60 38.401 26.775 31.090 1.00 0.00 C ATOM 917 CD1 LEU A 60 38.322 25.409 30.405 1.00 0.00 C ATOM 918 CD2 LEU A 60 37.561 27.753 30.267 1.00 0.00 C ATOM 0 H LEU A 60 36.989 26.136 34.664 1.00 0.00 H new ATOM 0 HA LEU A 60 38.984 24.940 33.155 1.00 0.00 H new ATOM 0 HB2 LEU A 60 36.868 26.294 32.521 1.00 0.00 H new ATOM 0 HB3 LEU A 60 37.768 27.749 32.901 1.00 0.00 H new ATOM 0 HG LEU A 60 39.444 27.088 31.143 1.00 0.00 H new ATOM 0 HD11 LEU A 60 38.708 25.489 29.389 1.00 0.00 H new ATOM 0 HD12 LEU A 60 38.917 24.687 30.964 1.00 0.00 H new ATOM 0 HD13 LEU A 60 37.284 25.077 30.374 1.00 0.00 H new ATOM 0 HD21 LEU A 60 37.939 27.786 29.245 1.00 0.00 H new ATOM 0 HD22 LEU A 60 36.522 27.423 30.259 1.00 0.00 H new ATOM 0 HD23 LEU A 60 37.623 28.747 30.709 1.00 0.00 H new ATOM 930 N PRO A 61 40.378 27.539 34.643 1.00 0.00 N ATOM 931 CA PRO A 61 41.723 28.066 34.919 1.00 0.00 C ATOM 932 C PRO A 61 42.539 27.229 35.930 1.00 0.00 C ATOM 933 O PRO A 61 43.668 27.603 36.259 1.00 0.00 O ATOM 934 CB PRO A 61 41.501 29.507 35.391 1.00 0.00 C ATOM 935 CG PRO A 61 40.171 29.412 36.129 1.00 0.00 C ATOM 936 CD PRO A 61 39.389 28.382 35.312 1.00 0.00 C ATOM 0 HA PRO A 61 42.339 28.019 34.021 1.00 0.00 H new ATOM 0 HB2 PRO A 61 42.304 29.848 36.044 1.00 0.00 H new ATOM 0 HB3 PRO A 61 41.452 30.205 34.555 1.00 0.00 H new ATOM 0 HG2 PRO A 61 40.306 29.089 37.161 1.00 0.00 H new ATOM 0 HG3 PRO A 61 39.659 30.374 36.161 1.00 0.00 H new ATOM 0 HD2 PRO A 61 38.744 27.785 35.957 1.00 0.00 H new ATOM 0 HD3 PRO A 61 38.744 28.874 34.584 1.00 0.00 H new ATOM 944 N ASN A 62 42.015 26.102 36.427 1.00 0.00 N ATOM 945 CA ASN A 62 42.737 25.162 37.302 1.00 0.00 C ATOM 946 C ASN A 62 42.973 23.783 36.659 1.00 0.00 C ATOM 947 O ASN A 62 43.960 23.117 36.989 1.00 0.00 O ATOM 948 CB ASN A 62 41.957 25.030 38.619 1.00 0.00 C ATOM 949 CG ASN A 62 42.772 24.331 39.688 1.00 0.00 C ATOM 950 OD1 ASN A 62 42.605 23.149 39.967 1.00 0.00 O ATOM 951 ND2 ASN A 62 43.680 25.037 40.313 1.00 0.00 N ATOM 0 H ASN A 62 41.058 25.809 36.230 1.00 0.00 H new ATOM 0 HA ASN A 62 43.733 25.567 37.484 1.00 0.00 H new ATOM 0 HB2 ASN A 62 41.668 26.020 38.971 1.00 0.00 H new ATOM 0 HB3 ASN A 62 41.036 24.474 38.442 1.00 0.00 H new ATOM 0 HD21 ASN A 62 44.254 24.604 41.037 1.00 0.00 H new ATOM 0 HD22 ASN A 62 43.814 26.020 40.076 1.00 0.00 H new ATOM 958 N LYS A 63 42.077 23.365 35.754 1.00 0.00 N ATOM 959 CA LYS A 63 42.104 22.088 35.028 1.00 0.00 C ATOM 960 C LYS A 63 41.941 22.327 33.523 1.00 0.00 C ATOM 961 O LYS A 63 41.220 23.237 33.117 1.00 0.00 O ATOM 962 CB LYS A 63 40.995 21.156 35.558 1.00 0.00 C ATOM 963 CG LYS A 63 41.084 20.891 37.070 1.00 0.00 C ATOM 964 CD LYS A 63 40.054 19.852 37.536 1.00 0.00 C ATOM 965 CE LYS A 63 40.173 19.666 39.054 1.00 0.00 C ATOM 966 NZ LYS A 63 39.395 18.503 39.533 1.00 0.00 N ATOM 0 H LYS A 63 41.273 23.938 35.496 1.00 0.00 H new ATOM 0 HA LYS A 63 43.068 21.607 35.193 1.00 0.00 H new ATOM 0 HB2 LYS A 63 40.024 21.595 35.331 1.00 0.00 H new ATOM 0 HB3 LYS A 63 41.047 20.205 35.027 1.00 0.00 H new ATOM 0 HG2 LYS A 63 42.087 20.543 37.318 1.00 0.00 H new ATOM 0 HG3 LYS A 63 40.927 21.824 37.611 1.00 0.00 H new ATOM 0 HD2 LYS A 63 39.047 20.179 37.276 1.00 0.00 H new ATOM 0 HD3 LYS A 63 40.222 18.903 37.027 1.00 0.00 H new ATOM 0 HE2 LYS A 63 41.221 19.536 39.322 1.00 0.00 H new ATOM 0 HE3 LYS A 63 39.825 20.568 39.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 39.503 18.414 40.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 38.390 18.638 39.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 39.744 17.638 39.072 1.00 0.00 H new ATOM 980 N THR A 64 42.581 21.509 32.688 1.00 0.00 N ATOM 981 CA THR A 64 42.547 21.642 31.221 1.00 0.00 C ATOM 982 C THR A 64 42.219 20.311 30.550 1.00 0.00 C ATOM 983 O THR A 64 42.793 19.277 30.882 1.00 0.00 O ATOM 984 CB THR A 64 43.869 22.225 30.697 1.00 0.00 C ATOM 985 OG1 THR A 64 44.020 23.550 31.167 1.00 0.00 O ATOM 986 CG2 THR A 64 43.963 22.314 29.173 1.00 0.00 C ATOM 0 H THR A 64 43.147 20.723 33.010 1.00 0.00 H new ATOM 0 HA THR A 64 41.749 22.338 30.964 1.00 0.00 H new ATOM 0 HB THR A 64 44.638 21.541 31.056 1.00 0.00 H new ATOM 0 HG1 THR A 64 44.864 23.921 30.834 1.00 0.00 H new ATOM 0 HG21 THR A 64 44.928 22.736 28.892 1.00 0.00 H new ATOM 0 HG22 THR A 64 43.864 21.317 28.744 1.00 0.00 H new ATOM 0 HG23 THR A 64 43.164 22.952 28.796 1.00 0.00 H new ATOM 994 N CYS A 65 41.293 20.345 29.592 1.00 0.00 N ATOM 995 CA CYS A 65 40.772 19.179 28.870 1.00 0.00 C ATOM 996 C CYS A 65 40.439 19.493 27.396 1.00 0.00 C ATOM 997 O CYS A 65 40.688 18.659 26.517 1.00 0.00 O ATOM 998 CB CYS A 65 39.537 18.697 29.640 1.00 0.00 C ATOM 999 SG CYS A 65 38.480 17.496 28.794 1.00 0.00 S ATOM 0 H CYS A 65 40.867 21.219 29.284 1.00 0.00 H new ATOM 0 HA CYS A 65 41.532 18.399 28.825 1.00 0.00 H new ATOM 0 HB2 CYS A 65 39.871 18.257 30.580 1.00 0.00 H new ATOM 0 HB3 CYS A 65 38.931 19.567 29.893 1.00 0.00 H new ATOM 1004 N ASN A 66 39.940 20.702 27.114 1.00 0.00 N ATOM 1005 CA ASN A 66 39.523 21.168 25.789 1.00 0.00 C ATOM 1006 C ASN A 66 40.364 22.390 25.344 1.00 0.00 C ATOM 1007 O ASN A 66 40.751 23.235 26.155 1.00 0.00 O ATOM 1008 CB ASN A 66 38.014 21.500 25.810 1.00 0.00 C ATOM 1009 CG ASN A 66 37.142 20.575 26.653 1.00 0.00 C ATOM 1010 OD1 ASN A 66 36.909 20.828 27.829 1.00 0.00 O ATOM 1011 ND2 ASN A 66 36.598 19.515 26.104 1.00 0.00 N ATOM 0 H ASN A 66 39.811 21.412 27.835 1.00 0.00 H new ATOM 0 HA ASN A 66 39.695 20.376 25.060 1.00 0.00 H new ATOM 0 HB2 ASN A 66 37.891 22.519 26.177 1.00 0.00 H new ATOM 0 HB3 ASN A 66 37.643 21.483 24.785 1.00 0.00 H new ATOM 0 HD21 ASN A 66 35.988 18.911 26.655 1.00 0.00 H new ATOM 0 HD22 ASN A 66 36.785 19.295 25.126 1.00 0.00 H new HETATM 1018 N NH2 A 67 40.627 22.531 24.054 1.00 0.00 N TER 1021 NH2 A 67