USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 402 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot -10:sc= 0.757 USER MOD Single : A 4 LYS NZ :NH3+ 155:sc= -0.0389 (180deg=-0.32) USER MOD Single : A 8 LYS NZ :NH3+ 154:sc=-0.00364 (180deg=-0.853) USER MOD Single : A 9 THR OG1 : rot -28:sc= 0.558 USER MOD Single : A 10 SER OG : rot -56:sc= 0.29 USER MOD Single : A 11 LYS NZ :NH3+ -106:sc= -0.512 (180deg=-1.81!) USER MOD Single : A 12 THR OG1 : rot -46:sc= 0.209 USER MOD Single : A 13 TYR OH : rot 15:sc= -0.598 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -147:sc= -0.243 (180deg=-0.817) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -129:sc= 0.599 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 169:sc= 1.83 (180deg=1.23) USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= -0.0523 (180deg=-0.311) USER MOD Single : A 33 GLN : amide:sc=-0.00336 K(o=-0.0034,f=-1.3) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.0351 X(o=-0.035,f=-0.16) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -142:sc= -0.655 (180deg=-2.89!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 3 7.102 1.399 2.504 1.00 0.00 N ATOM 19 CA SER A 3 8.292 2.104 2.965 1.00 0.00 C ATOM 20 C SER A 3 9.041 1.281 4.009 1.00 0.00 C ATOM 21 O SER A 3 8.565 1.096 5.130 1.00 0.00 O ATOM 22 CB SER A 3 7.909 3.465 3.551 1.00 0.00 C ATOM 23 OG SER A 3 6.530 3.511 3.874 1.00 0.00 O ATOM 0 HA SER A 3 8.949 2.256 2.108 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.502 3.659 4.445 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.144 4.252 2.835 1.00 0.00 H new ATOM 0 HG SER A 3 6.081 2.723 3.504 1.00 0.00 H new ATOM 29 N LYS A 4 10.216 0.789 3.634 1.00 0.00 N ATOM 30 CA LYS A 4 11.034 -0.014 4.535 1.00 0.00 C ATOM 31 C LYS A 4 12.424 -0.241 3.952 1.00 0.00 C ATOM 32 O LYS A 4 12.815 0.407 2.980 1.00 0.00 O ATOM 33 CB LYS A 4 10.357 -1.359 4.809 1.00 0.00 C ATOM 34 CG LYS A 4 10.384 -1.768 6.272 1.00 0.00 C ATOM 35 CD LYS A 4 11.039 -3.126 6.459 1.00 0.00 C ATOM 36 CE LYS A 4 10.312 -3.954 7.508 1.00 0.00 C ATOM 37 NZ LYS A 4 8.946 -4.343 7.060 1.00 0.00 N ATOM 0 H LYS A 4 10.624 0.932 2.710 1.00 0.00 H new ATOM 0 HA LYS A 4 11.139 0.531 5.473 1.00 0.00 H new ATOM 0 HB2 LYS A 4 9.321 -1.310 4.473 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.848 -2.131 4.216 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.925 -1.019 6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 4 9.366 -1.797 6.662 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.045 -3.662 5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.079 -2.992 6.756 1.00 0.00 H new ATOM 0 HE2 LYS A 4 10.891 -4.851 7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.242 -3.385 8.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.651 -5.208 7.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.278 -3.575 7.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.953 -4.517 6.035 1.00 0.00 H new ATOM 51 N LEU A 5 13.167 -1.167 4.549 1.00 0.00 N ATOM 52 CA LEU A 5 14.515 -1.481 4.087 1.00 0.00 C ATOM 53 C LEU A 5 14.714 -2.989 3.975 1.00 0.00 C ATOM 54 O LEU A 5 14.082 -3.765 4.693 1.00 0.00 O ATOM 55 CB LEU A 5 15.554 -0.887 5.041 1.00 0.00 C ATOM 56 CG LEU A 5 16.296 0.352 4.537 1.00 0.00 C ATOM 57 CD1 LEU A 5 15.436 1.595 4.709 1.00 0.00 C ATOM 58 CD2 LEU A 5 17.621 0.512 5.268 1.00 0.00 C ATOM 0 H LEU A 5 12.859 -1.713 5.354 1.00 0.00 H new ATOM 0 HA LEU A 5 14.646 -1.041 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 5 15.056 -0.632 5.976 1.00 0.00 H new ATOM 0 HB3 LEU A 5 16.289 -1.658 5.271 1.00 0.00 H new ATOM 0 HG LEU A 5 16.503 0.223 3.475 1.00 0.00 H new ATOM 0 HD11 LEU A 5 15.980 2.467 4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 5 14.513 1.480 4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 5 15.198 1.730 5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 5 18.136 1.398 4.897 1.00 0.00 H new ATOM 0 HD22 LEU A 5 17.436 0.620 6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 5 18.241 -0.367 5.094 1.00 0.00 H new ATOM 70 N CYS A 6 15.599 -3.399 3.072 1.00 0.00 N ATOM 71 CA CYS A 6 15.884 -4.813 2.866 1.00 0.00 C ATOM 72 C CYS A 6 17.355 -5.117 3.135 1.00 0.00 C ATOM 73 O CYS A 6 18.243 -4.468 2.583 1.00 0.00 O ATOM 74 CB CYS A 6 15.518 -5.227 1.439 1.00 0.00 C ATOM 75 SG CYS A 6 13.728 -5.404 1.152 1.00 0.00 S ATOM 0 H CYS A 6 16.132 -2.770 2.471 1.00 0.00 H new ATOM 0 HA CYS A 6 15.279 -5.385 3.569 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.915 -4.487 0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 6 16.007 -6.174 1.210 1.00 0.00 H new ATOM 80 N GLU A 7 17.604 -6.107 3.986 1.00 0.00 N ATOM 81 CA GLU A 7 18.967 -6.495 4.327 1.00 0.00 C ATOM 82 C GLU A 7 19.225 -7.954 3.962 1.00 0.00 C ATOM 83 O GLU A 7 18.383 -8.822 4.191 1.00 0.00 O ATOM 84 CB GLU A 7 19.224 -6.279 5.820 1.00 0.00 C ATOM 85 CG GLU A 7 20.452 -7.009 6.338 1.00 0.00 C ATOM 86 CD GLU A 7 20.105 -8.305 7.046 1.00 0.00 C ATOM 87 OE1 GLU A 7 19.989 -9.343 6.362 1.00 0.00 O ATOM 88 OE2 GLU A 7 19.949 -8.280 8.285 1.00 0.00 O ATOM 0 H GLU A 7 16.880 -6.654 4.452 1.00 0.00 H new ATOM 0 HA GLU A 7 19.650 -5.868 3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.339 -5.212 6.010 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.351 -6.610 6.382 1.00 0.00 H new ATOM 0 HG2 GLU A 7 21.122 -7.223 5.505 1.00 0.00 H new ATOM 0 HG3 GLU A 7 20.994 -6.358 7.024 1.00 0.00 H new ATOM 95 N LYS A 8 20.396 -8.217 3.391 1.00 0.00 N ATOM 96 CA LYS A 8 20.767 -9.570 2.993 1.00 0.00 C ATOM 97 C LYS A 8 21.830 -10.139 3.927 1.00 0.00 C ATOM 98 O LYS A 8 22.701 -9.415 4.409 1.00 0.00 O ATOM 99 CB LYS A 8 21.284 -9.576 1.552 1.00 0.00 C ATOM 100 CG LYS A 8 20.183 -9.686 0.512 1.00 0.00 C ATOM 101 CD LYS A 8 19.518 -8.344 0.259 1.00 0.00 C ATOM 102 CE LYS A 8 18.230 -8.500 -0.535 1.00 0.00 C ATOM 103 NZ LYS A 8 17.037 -8.581 0.352 1.00 0.00 N ATOM 0 H LYS A 8 21.105 -7.510 3.193 1.00 0.00 H new ATOM 0 HA LYS A 8 19.878 -10.198 3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.850 -8.662 1.374 1.00 0.00 H new ATOM 0 HB3 LYS A 8 21.976 -10.409 1.426 1.00 0.00 H new ATOM 0 HG2 LYS A 8 20.599 -10.068 -0.420 1.00 0.00 H new ATOM 0 HG3 LYS A 8 19.436 -10.406 0.847 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.303 -7.858 1.211 1.00 0.00 H new ATOM 0 HD3 LYS A 8 20.204 -7.693 -0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 8 18.119 -7.656 -1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.288 -9.399 -1.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.197 -8.251 -0.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.894 -9.566 0.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.186 -7.983 1.189 1.00 0.00 H new ATOM 117 N THR A 9 21.753 -11.442 4.180 1.00 0.00 N ATOM 118 CA THR A 9 22.708 -12.109 5.056 1.00 0.00 C ATOM 119 C THR A 9 23.449 -13.218 4.319 1.00 0.00 C ATOM 120 O THR A 9 23.359 -14.389 4.687 1.00 0.00 O ATOM 121 CB THR A 9 22.012 -12.706 6.294 1.00 0.00 C ATOM 122 OG1 THR A 9 20.914 -11.876 6.687 1.00 0.00 O ATOM 123 CG2 THR A 9 22.991 -12.843 7.451 1.00 0.00 C ATOM 0 H THR A 9 21.038 -12.057 3.790 1.00 0.00 H new ATOM 0 HA THR A 9 23.422 -11.352 5.380 1.00 0.00 H new ATOM 0 HB THR A 9 21.641 -13.697 6.033 1.00 0.00 H new ATOM 0 HG1 THR A 9 21.093 -10.949 6.423 1.00 0.00 H new ATOM 0 HG21 THR A 9 22.477 -13.267 8.314 1.00 0.00 H new ATOM 0 HG22 THR A 9 23.811 -13.499 7.158 1.00 0.00 H new ATOM 0 HG23 THR A 9 23.387 -11.861 7.710 1.00 0.00 H new ATOM 131 N SER A 10 24.182 -12.842 3.276 1.00 0.00 N ATOM 132 CA SER A 10 24.937 -13.807 2.484 1.00 0.00 C ATOM 133 C SER A 10 24.047 -14.968 2.050 1.00 0.00 C ATOM 134 O SER A 10 24.446 -16.131 2.119 1.00 0.00 O ATOM 135 CB SER A 10 26.129 -14.334 3.286 1.00 0.00 C ATOM 136 OG SER A 10 26.833 -15.326 2.559 1.00 0.00 O ATOM 0 H SER A 10 24.269 -11.876 2.959 1.00 0.00 H new ATOM 0 HA SER A 10 25.304 -13.301 1.591 1.00 0.00 H new ATOM 0 HB2 SER A 10 26.801 -13.511 3.529 1.00 0.00 H new ATOM 0 HB3 SER A 10 25.780 -14.750 4.231 1.00 0.00 H new ATOM 0 HG SER A 10 26.217 -16.045 2.306 1.00 0.00 H new ATOM 142 N LYS A 11 22.839 -14.644 1.603 1.00 0.00 N ATOM 143 CA LYS A 11 21.891 -15.658 1.156 1.00 0.00 C ATOM 144 C LYS A 11 22.510 -16.545 0.081 1.00 0.00 C ATOM 145 O LYS A 11 22.155 -17.717 -0.052 1.00 0.00 O ATOM 146 CB LYS A 11 20.621 -14.996 0.616 1.00 0.00 C ATOM 147 CG LYS A 11 19.886 -14.158 1.648 1.00 0.00 C ATOM 148 CD LYS A 11 19.458 -14.995 2.843 1.00 0.00 C ATOM 149 CE LYS A 11 20.471 -14.909 3.975 1.00 0.00 C ATOM 150 NZ LYS A 11 20.934 -16.256 4.407 1.00 0.00 N ATOM 0 H LYS A 11 22.493 -13.687 1.540 1.00 0.00 H new ATOM 0 HA LYS A 11 21.633 -16.281 2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 11 20.883 -14.364 -0.233 1.00 0.00 H new ATOM 0 HB3 LYS A 11 19.949 -15.769 0.242 1.00 0.00 H new ATOM 0 HG2 LYS A 11 20.530 -13.345 1.984 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.009 -13.701 1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 11 18.485 -14.655 3.197 1.00 0.00 H new ATOM 0 HD3 LYS A 11 19.340 -16.034 2.537 1.00 0.00 H new ATOM 0 HE2 LYS A 11 21.327 -14.317 3.652 1.00 0.00 H new ATOM 0 HE3 LYS A 11 20.025 -14.389 4.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 20.502 -16.495 5.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 20.655 -16.963 3.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 21.970 -16.253 4.503 1.00 0.00 H new ATOM 164 N THR A 12 23.440 -15.981 -0.684 1.00 0.00 N ATOM 165 CA THR A 12 24.109 -16.721 -1.746 1.00 0.00 C ATOM 166 C THR A 12 25.391 -16.020 -2.180 1.00 0.00 C ATOM 167 O THR A 12 25.515 -15.586 -3.326 1.00 0.00 O ATOM 168 CB THR A 12 23.192 -16.896 -2.972 1.00 0.00 C ATOM 169 OG1 THR A 12 23.919 -17.509 -4.043 1.00 0.00 O ATOM 170 CG2 THR A 12 22.639 -15.555 -3.430 1.00 0.00 C ATOM 0 H THR A 12 23.747 -15.013 -0.587 1.00 0.00 H new ATOM 0 HA THR A 12 24.354 -17.703 -1.342 1.00 0.00 H new ATOM 0 HB THR A 12 22.358 -17.536 -2.686 1.00 0.00 H new ATOM 0 HG1 THR A 12 24.793 -17.076 -4.135 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.995 -15.704 -4.296 1.00 0.00 H new ATOM 0 HG22 THR A 12 22.062 -15.104 -2.622 1.00 0.00 H new ATOM 0 HG23 THR A 12 23.463 -14.895 -3.700 1.00 0.00 H new ATOM 178 N TYR A 13 26.343 -15.915 -1.260 1.00 0.00 N ATOM 179 CA TYR A 13 27.616 -15.265 -1.548 1.00 0.00 C ATOM 180 C TYR A 13 28.695 -16.297 -1.862 1.00 0.00 C ATOM 181 O TYR A 13 29.224 -16.341 -2.973 1.00 0.00 O ATOM 182 CB TYR A 13 28.051 -14.400 -0.363 1.00 0.00 C ATOM 183 CG TYR A 13 29.525 -14.064 -0.368 1.00 0.00 C ATOM 184 CD1 TYR A 13 30.027 -13.069 -1.198 1.00 0.00 C ATOM 185 CD2 TYR A 13 30.415 -14.741 0.456 1.00 0.00 C ATOM 186 CE1 TYR A 13 31.374 -12.758 -1.207 1.00 0.00 C ATOM 187 CE2 TYR A 13 31.762 -14.436 0.456 1.00 0.00 C ATOM 188 CZ TYR A 13 32.237 -13.444 -0.378 1.00 0.00 C ATOM 189 OH TYR A 13 33.578 -13.138 -0.382 1.00 0.00 O ATOM 0 H TYR A 13 26.257 -16.272 -0.308 1.00 0.00 H new ATOM 0 HA TYR A 13 27.481 -14.629 -2.423 1.00 0.00 H new ATOM 0 HB2 TYR A 13 27.476 -13.474 -0.369 1.00 0.00 H new ATOM 0 HB3 TYR A 13 27.808 -14.920 0.564 1.00 0.00 H new ATOM 0 HD1 TYR A 13 29.353 -12.529 -1.847 1.00 0.00 H new ATOM 0 HD2 TYR A 13 30.047 -15.519 1.108 1.00 0.00 H new ATOM 0 HE1 TYR A 13 31.748 -11.983 -1.859 1.00 0.00 H new ATOM 0 HE2 TYR A 13 32.440 -14.971 1.105 1.00 0.00 H new ATOM 0 HH TYR A 13 33.716 -12.278 -0.832 1.00 0.00 H new ATOM 199 N SER A 14 29.017 -17.126 -0.874 1.00 0.00 N ATOM 200 CA SER A 14 30.035 -18.157 -1.042 1.00 0.00 C ATOM 201 C SER A 14 31.384 -17.535 -1.390 1.00 0.00 C ATOM 202 O SER A 14 31.473 -16.347 -1.695 1.00 0.00 O ATOM 203 CB SER A 14 29.617 -19.142 -2.135 1.00 0.00 C ATOM 204 OG SER A 14 28.326 -19.669 -1.881 1.00 0.00 O ATOM 0 H SER A 14 28.588 -17.104 0.051 1.00 0.00 H new ATOM 0 HA SER A 14 30.134 -18.694 -0.098 1.00 0.00 H new ATOM 0 HB2 SER A 14 29.624 -18.641 -3.103 1.00 0.00 H new ATOM 0 HB3 SER A 14 30.340 -19.955 -2.192 1.00 0.00 H new ATOM 0 HG SER A 14 28.082 -20.294 -2.595 1.00 0.00 H new ATOM 210 N GLY A 15 32.434 -18.350 -1.342 1.00 0.00 N ATOM 211 CA GLY A 15 33.765 -17.864 -1.655 1.00 0.00 C ATOM 212 C GLY A 15 34.434 -17.203 -0.466 1.00 0.00 C ATOM 213 O GLY A 15 33.772 -16.839 0.506 1.00 0.00 O ATOM 0 H GLY A 15 32.386 -19.338 -1.092 1.00 0.00 H new ATOM 0 HA2 GLY A 15 34.381 -18.695 -1.999 1.00 0.00 H new ATOM 0 HA3 GLY A 15 33.704 -17.151 -2.477 1.00 0.00 H new ATOM 217 N LYS A 16 35.752 -17.048 -0.542 1.00 0.00 N ATOM 218 CA LYS A 16 36.513 -16.426 0.536 1.00 0.00 C ATOM 219 C LYS A 16 35.902 -15.085 0.930 1.00 0.00 C ATOM 220 O LYS A 16 36.069 -14.086 0.231 1.00 0.00 O ATOM 221 CB LYS A 16 37.970 -16.230 0.112 1.00 0.00 C ATOM 222 CG LYS A 16 38.124 -15.553 -1.239 1.00 0.00 C ATOM 223 CD LYS A 16 38.654 -16.516 -2.288 1.00 0.00 C ATOM 224 CE LYS A 16 39.064 -15.787 -3.558 1.00 0.00 C ATOM 225 NZ LYS A 16 40.488 -16.046 -3.911 1.00 0.00 N ATOM 0 H LYS A 16 36.315 -17.345 -1.339 1.00 0.00 H new ATOM 0 HA LYS A 16 36.479 -17.089 1.401 1.00 0.00 H new ATOM 0 HB2 LYS A 16 38.483 -15.635 0.868 1.00 0.00 H new ATOM 0 HB3 LYS A 16 38.464 -17.201 0.081 1.00 0.00 H new ATOM 0 HG2 LYS A 16 37.161 -15.157 -1.561 1.00 0.00 H new ATOM 0 HG3 LYS A 16 38.802 -14.705 -1.147 1.00 0.00 H new ATOM 0 HD2 LYS A 16 39.510 -17.058 -1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 16 37.889 -17.256 -2.523 1.00 0.00 H new ATOM 0 HE2 LYS A 16 38.423 -16.102 -4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 16 38.911 -14.716 -3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 40.729 -15.532 -4.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 41.102 -15.722 -3.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 40.629 -17.065 -4.061 1.00 0.00 H new ATOM 239 N CYS A 17 35.194 -15.071 2.055 1.00 0.00 N ATOM 240 CA CYS A 17 34.559 -13.853 2.544 1.00 0.00 C ATOM 241 C CYS A 17 35.563 -12.705 2.610 1.00 0.00 C ATOM 242 O CYS A 17 36.393 -12.643 3.517 1.00 0.00 O ATOM 243 CB CYS A 17 33.948 -14.090 3.926 1.00 0.00 C ATOM 244 SG CYS A 17 32.435 -13.127 4.246 1.00 0.00 S ATOM 0 H CYS A 17 35.046 -15.890 2.645 1.00 0.00 H new ATOM 0 HA CYS A 17 33.767 -13.581 1.846 1.00 0.00 H new ATOM 0 HB2 CYS A 17 33.720 -15.150 4.034 1.00 0.00 H new ATOM 0 HB3 CYS A 17 34.690 -13.844 4.686 1.00 0.00 H new ATOM 249 N ASP A 18 35.480 -11.798 1.643 1.00 0.00 N ATOM 250 CA ASP A 18 36.379 -10.651 1.591 1.00 0.00 C ATOM 251 C ASP A 18 35.639 -9.364 1.944 1.00 0.00 C ATOM 252 O ASP A 18 34.506 -9.399 2.422 1.00 0.00 O ATOM 253 CB ASP A 18 37.005 -10.529 0.201 1.00 0.00 C ATOM 254 CG ASP A 18 38.494 -10.249 0.259 1.00 0.00 C ATOM 255 OD1 ASP A 18 38.888 -9.272 0.930 1.00 0.00 O ATOM 256 OD2 ASP A 18 39.264 -11.007 -0.366 1.00 0.00 O ATOM 0 H ASP A 18 34.799 -11.835 0.884 1.00 0.00 H new ATOM 0 HA ASP A 18 37.170 -10.807 2.325 1.00 0.00 H new ATOM 0 HB2 ASP A 18 36.833 -11.451 -0.354 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.509 -9.729 -0.349 1.00 0.00 H new ATOM 261 N ASN A 19 36.289 -8.230 1.705 1.00 0.00 N ATOM 262 CA ASN A 19 35.693 -6.931 1.999 1.00 0.00 C ATOM 263 C ASN A 19 34.957 -6.382 0.781 1.00 0.00 C ATOM 264 O ASN A 19 33.727 -6.348 0.749 1.00 0.00 O ATOM 265 CB ASN A 19 36.772 -5.942 2.446 1.00 0.00 C ATOM 266 CG ASN A 19 37.545 -6.436 3.653 1.00 0.00 C ATOM 267 OD1 ASN A 19 36.961 -6.784 4.679 1.00 0.00 O ATOM 268 ND2 ASN A 19 38.868 -6.470 3.535 1.00 0.00 N ATOM 0 H ASN A 19 37.228 -8.184 1.309 1.00 0.00 H new ATOM 0 HA ASN A 19 34.973 -7.063 2.807 1.00 0.00 H new ATOM 0 HB2 ASN A 19 37.464 -5.766 1.622 1.00 0.00 H new ATOM 0 HB3 ASN A 19 36.308 -4.984 2.682 1.00 0.00 H new ATOM 0 HD21 ASN A 19 39.441 -6.794 4.314 1.00 0.00 H new ATOM 0 HD22 ASN A 19 39.310 -6.172 2.666 1.00 0.00 H new ATOM 275 N LYS A 20 35.718 -5.953 -0.220 1.00 0.00 N ATOM 276 CA LYS A 20 35.140 -5.407 -1.442 1.00 0.00 C ATOM 277 C LYS A 20 34.335 -6.468 -2.185 1.00 0.00 C ATOM 278 O LYS A 20 33.311 -6.169 -2.799 1.00 0.00 O ATOM 279 CB LYS A 20 36.241 -4.857 -2.351 1.00 0.00 C ATOM 280 CG LYS A 20 35.756 -3.793 -3.320 1.00 0.00 C ATOM 281 CD LYS A 20 35.954 -4.222 -4.764 1.00 0.00 C ATOM 282 CE LYS A 20 37.126 -3.495 -5.405 1.00 0.00 C ATOM 283 NZ LYS A 20 36.933 -2.018 -5.402 1.00 0.00 N ATOM 0 H LYS A 20 36.738 -5.973 -0.209 1.00 0.00 H new ATOM 0 HA LYS A 20 34.468 -4.595 -1.164 1.00 0.00 H new ATOM 0 HB2 LYS A 20 37.035 -4.438 -1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 20 36.678 -5.680 -2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 20 34.700 -3.591 -3.141 1.00 0.00 H new ATOM 0 HG3 LYS A 20 36.294 -2.862 -3.139 1.00 0.00 H new ATOM 0 HD2 LYS A 20 36.125 -5.298 -4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 20 35.046 -4.022 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 20 38.043 -3.742 -4.870 1.00 0.00 H new ATOM 0 HE3 LYS A 20 37.252 -3.843 -6.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 37.373 -1.609 -6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 35.916 -1.801 -5.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 37.375 -1.612 -4.553 1.00 0.00 H new ATOM 297 N LYS A 21 34.805 -7.710 -2.125 1.00 0.00 N ATOM 298 CA LYS A 21 34.128 -8.817 -2.790 1.00 0.00 C ATOM 299 C LYS A 21 32.711 -8.989 -2.254 1.00 0.00 C ATOM 300 O LYS A 21 31.771 -9.216 -3.016 1.00 0.00 O ATOM 301 CB LYS A 21 34.919 -10.114 -2.597 1.00 0.00 C ATOM 302 CG LYS A 21 36.290 -10.093 -3.250 1.00 0.00 C ATOM 303 CD LYS A 21 36.191 -9.846 -4.746 1.00 0.00 C ATOM 304 CE LYS A 21 36.397 -8.378 -5.084 1.00 0.00 C ATOM 305 NZ LYS A 21 37.582 -8.171 -5.962 1.00 0.00 N ATOM 0 H LYS A 21 35.652 -7.975 -1.622 1.00 0.00 H new ATOM 0 HA LYS A 21 34.069 -8.588 -3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 21 35.037 -10.302 -1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 21 34.344 -10.945 -3.006 1.00 0.00 H new ATOM 0 HG2 LYS A 21 36.901 -9.315 -2.791 1.00 0.00 H new ATOM 0 HG3 LYS A 21 36.795 -11.042 -3.070 1.00 0.00 H new ATOM 0 HD2 LYS A 21 36.937 -10.448 -5.265 1.00 0.00 H new ATOM 0 HD3 LYS A 21 35.214 -10.169 -5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 21 35.506 -7.991 -5.579 1.00 0.00 H new ATOM 0 HE3 LYS A 21 36.523 -7.808 -4.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 37.688 -7.157 -6.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 38.436 -8.517 -5.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 37.451 -8.694 -6.851 1.00 0.00 H new ATOM 319 N CYS A 22 32.563 -8.879 -0.938 1.00 0.00 N ATOM 320 CA CYS A 22 31.260 -9.021 -0.299 1.00 0.00 C ATOM 321 C CYS A 22 30.331 -7.878 -0.699 1.00 0.00 C ATOM 322 O CYS A 22 29.241 -8.105 -1.223 1.00 0.00 O ATOM 323 CB CYS A 22 31.416 -9.058 1.222 1.00 0.00 C ATOM 324 SG CYS A 22 30.743 -10.561 2.002 1.00 0.00 S ATOM 0 H CYS A 22 33.330 -8.692 -0.293 1.00 0.00 H new ATOM 0 HA CYS A 22 30.818 -9.959 -0.635 1.00 0.00 H new ATOM 0 HB2 CYS A 22 32.474 -8.975 1.470 1.00 0.00 H new ATOM 0 HB3 CYS A 22 30.920 -8.187 1.649 1.00 0.00 H new ATOM 329 N ASP A 23 30.771 -6.650 -0.447 1.00 0.00 N ATOM 330 CA ASP A 23 29.981 -5.471 -0.782 1.00 0.00 C ATOM 331 C ASP A 23 29.561 -5.496 -2.248 1.00 0.00 C ATOM 332 O ASP A 23 28.411 -5.208 -2.581 1.00 0.00 O ATOM 333 CB ASP A 23 30.776 -4.197 -0.488 1.00 0.00 C ATOM 334 CG ASP A 23 29.880 -3.015 -0.176 1.00 0.00 C ATOM 335 OD1 ASP A 23 28.699 -3.043 -0.579 1.00 0.00 O ATOM 336 OD2 ASP A 23 30.361 -2.060 0.470 1.00 0.00 O ATOM 0 H ASP A 23 31.671 -6.445 -0.012 1.00 0.00 H new ATOM 0 HA ASP A 23 29.082 -5.480 -0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 23 31.444 -4.375 0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.403 -3.957 -1.347 1.00 0.00 H new ATOM 341 N LYS A 24 30.500 -5.842 -3.121 1.00 0.00 N ATOM 342 CA LYS A 24 30.229 -5.906 -4.553 1.00 0.00 C ATOM 343 C LYS A 24 29.185 -6.974 -4.862 1.00 0.00 C ATOM 344 O LYS A 24 28.238 -6.734 -5.611 1.00 0.00 O ATOM 345 CB LYS A 24 31.517 -6.198 -5.324 1.00 0.00 C ATOM 346 CG LYS A 24 31.298 -6.428 -6.810 1.00 0.00 C ATOM 347 CD LYS A 24 32.613 -6.631 -7.543 1.00 0.00 C ATOM 348 CE LYS A 24 32.389 -7.119 -8.966 1.00 0.00 C ATOM 349 NZ LYS A 24 32.273 -8.602 -9.032 1.00 0.00 N ATOM 0 H LYS A 24 31.457 -6.083 -2.862 1.00 0.00 H new ATOM 0 HA LYS A 24 29.837 -4.939 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.207 -5.364 -5.192 1.00 0.00 H new ATOM 0 HB3 LYS A 24 31.995 -7.079 -4.895 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.662 -7.301 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 24 30.770 -5.575 -7.237 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.168 -5.693 -7.562 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.225 -7.353 -7.002 1.00 0.00 H new ATOM 0 HE2 LYS A 24 31.482 -6.666 -9.367 1.00 0.00 H new ATOM 0 HE3 LYS A 24 33.215 -6.791 -9.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 32.921 -8.969 -9.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 32.521 -9.011 -8.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 31.296 -8.863 -9.275 1.00 0.00 H new ATOM 363 N LYS A 25 29.363 -8.155 -4.279 1.00 0.00 N ATOM 364 CA LYS A 25 28.436 -9.260 -4.489 1.00 0.00 C ATOM 365 C LYS A 25 27.031 -8.887 -4.026 1.00 0.00 C ATOM 366 O LYS A 25 26.038 -9.383 -4.561 1.00 0.00 O ATOM 367 CB LYS A 25 28.917 -10.506 -3.741 1.00 0.00 C ATOM 368 CG LYS A 25 28.587 -11.807 -4.452 1.00 0.00 C ATOM 369 CD LYS A 25 27.114 -12.157 -4.319 1.00 0.00 C ATOM 370 CE LYS A 25 26.671 -12.160 -2.864 1.00 0.00 C ATOM 371 NZ LYS A 25 25.372 -12.865 -2.681 1.00 0.00 N ATOM 0 H LYS A 25 30.142 -8.371 -3.657 1.00 0.00 H new ATOM 0 HA LYS A 25 28.403 -9.475 -5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 25 29.996 -10.442 -3.601 1.00 0.00 H new ATOM 0 HB3 LYS A 25 28.467 -10.520 -2.748 1.00 0.00 H new ATOM 0 HG2 LYS A 25 28.848 -11.723 -5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 25 29.192 -12.613 -4.037 1.00 0.00 H new ATOM 0 HD2 LYS A 25 26.516 -11.439 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 25 26.931 -13.138 -4.758 1.00 0.00 H new ATOM 0 HE2 LYS A 25 27.435 -12.641 -2.253 1.00 0.00 H new ATOM 0 HE3 LYS A 25 26.580 -11.133 -2.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 25.195 -13.009 -1.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 24.606 -12.292 -3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 25.407 -13.787 -3.161 1.00 0.00 H new ATOM 385 N CYS A 26 26.954 -8.010 -3.031 1.00 0.00 N ATOM 386 CA CYS A 26 25.671 -7.570 -2.497 1.00 0.00 C ATOM 387 C CYS A 26 24.894 -6.769 -3.538 1.00 0.00 C ATOM 388 O CYS A 26 23.730 -7.060 -3.817 1.00 0.00 O ATOM 389 CB CYS A 26 25.882 -6.723 -1.240 1.00 0.00 C ATOM 390 SG CYS A 26 26.521 -7.657 0.187 1.00 0.00 S ATOM 0 H CYS A 26 27.766 -7.590 -2.578 1.00 0.00 H new ATOM 0 HA CYS A 26 25.091 -8.456 -2.238 1.00 0.00 H new ATOM 0 HB2 CYS A 26 26.576 -5.915 -1.472 1.00 0.00 H new ATOM 0 HB3 CYS A 26 24.935 -6.261 -0.963 1.00 0.00 H new ATOM 395 N ILE A 27 25.546 -5.762 -4.109 1.00 0.00 N ATOM 396 CA ILE A 27 24.917 -4.921 -5.120 1.00 0.00 C ATOM 397 C ILE A 27 24.914 -5.607 -6.481 1.00 0.00 C ATOM 398 O ILE A 27 24.167 -5.221 -7.380 1.00 0.00 O ATOM 399 CB ILE A 27 25.630 -3.561 -5.244 1.00 0.00 C ATOM 400 CG1 ILE A 27 25.858 -2.952 -3.860 1.00 0.00 C ATOM 401 CG2 ILE A 27 24.819 -2.616 -6.118 1.00 0.00 C ATOM 402 CD1 ILE A 27 27.319 -2.749 -3.522 1.00 0.00 C ATOM 0 H ILE A 27 26.509 -5.509 -3.889 1.00 0.00 H new ATOM 0 HA ILE A 27 23.889 -4.755 -4.798 1.00 0.00 H new ATOM 0 HB ILE A 27 26.600 -3.718 -5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 27 25.344 -1.992 -3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 27 25.406 -3.599 -3.108 1.00 0.00 H new ATOM 0 HG21 ILE A 27 25.335 -1.659 -6.196 1.00 0.00 H new ATOM 0 HG22 ILE A 27 24.704 -3.048 -7.112 1.00 0.00 H new ATOM 0 HG23 ILE A 27 23.836 -2.462 -5.673 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.405 -2.314 -2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 27 27.834 -3.709 -3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 27 27.771 -2.077 -4.252 1.00 0.00 H new ATOM 414 N GLU A 28 25.752 -6.629 -6.625 1.00 0.00 N ATOM 415 CA GLU A 28 25.845 -7.370 -7.877 1.00 0.00 C ATOM 416 C GLU A 28 24.779 -8.459 -7.945 1.00 0.00 C ATOM 417 O GLU A 28 24.150 -8.663 -8.984 1.00 0.00 O ATOM 418 CB GLU A 28 27.235 -7.992 -8.026 1.00 0.00 C ATOM 419 CG GLU A 28 28.276 -7.031 -8.576 1.00 0.00 C ATOM 420 CD GLU A 28 29.070 -7.625 -9.723 1.00 0.00 C ATOM 421 OE1 GLU A 28 29.369 -8.836 -9.672 1.00 0.00 O ATOM 422 OE2 GLU A 28 29.393 -6.879 -10.671 1.00 0.00 O ATOM 0 H GLU A 28 26.376 -6.962 -5.890 1.00 0.00 H new ATOM 0 HA GLU A 28 25.678 -6.671 -8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.567 -8.356 -7.054 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.168 -8.858 -8.685 1.00 0.00 H new ATOM 0 HG2 GLU A 28 27.782 -6.120 -8.914 1.00 0.00 H new ATOM 0 HG3 GLU A 28 28.959 -6.744 -7.776 1.00 0.00 H new ATOM 429 N TRP A 29 24.582 -9.156 -6.832 1.00 0.00 N ATOM 430 CA TRP A 29 23.592 -10.225 -6.764 1.00 0.00 C ATOM 431 C TRP A 29 22.341 -9.763 -6.025 1.00 0.00 C ATOM 432 O TRP A 29 21.225 -9.916 -6.521 1.00 0.00 O ATOM 433 CB TRP A 29 24.185 -11.453 -6.071 1.00 0.00 C ATOM 434 CG TRP A 29 25.176 -12.192 -6.918 1.00 0.00 C ATOM 435 CD1 TRP A 29 26.024 -11.656 -7.845 1.00 0.00 C ATOM 436 CD2 TRP A 29 25.420 -13.603 -6.917 1.00 0.00 C ATOM 437 NE1 TRP A 29 26.780 -12.648 -8.420 1.00 0.00 N ATOM 438 CE2 TRP A 29 26.430 -13.852 -7.867 1.00 0.00 C ATOM 439 CE3 TRP A 29 24.886 -14.680 -6.205 1.00 0.00 C ATOM 440 CZ2 TRP A 29 26.913 -15.133 -8.122 1.00 0.00 C ATOM 441 CZ3 TRP A 29 25.366 -15.951 -6.459 1.00 0.00 C ATOM 442 CH2 TRP A 29 26.372 -16.168 -7.410 1.00 0.00 C ATOM 0 H TRP A 29 25.095 -9.000 -5.964 1.00 0.00 H new ATOM 0 HA TRP A 29 23.311 -10.492 -7.783 1.00 0.00 H new ATOM 0 HB2 TRP A 29 24.670 -11.141 -5.146 1.00 0.00 H new ATOM 0 HB3 TRP A 29 23.377 -12.131 -5.794 1.00 0.00 H new ATOM 0 HD1 TRP A 29 26.090 -10.606 -8.090 1.00 0.00 H new ATOM 0 HE1 TRP A 29 27.487 -12.511 -9.142 1.00 0.00 H new ATOM 0 HE3 TRP A 29 24.112 -14.522 -5.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 27.687 -15.303 -8.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 24.959 -16.791 -5.915 1.00 0.00 H new ATOM 0 HH2 TRP A 29 26.727 -17.173 -7.584 1.00 0.00 H new ATOM 453 N GLU A 30 22.535 -9.198 -4.838 1.00 0.00 N ATOM 454 CA GLU A 30 21.420 -8.714 -4.032 1.00 0.00 C ATOM 455 C GLU A 30 21.056 -7.282 -4.411 1.00 0.00 C ATOM 456 O GLU A 30 20.130 -6.695 -3.850 1.00 0.00 O ATOM 457 CB GLU A 30 21.769 -8.787 -2.544 1.00 0.00 C ATOM 458 CG GLU A 30 22.554 -10.031 -2.162 1.00 0.00 C ATOM 459 CD GLU A 30 22.020 -11.284 -2.829 1.00 0.00 C ATOM 460 OE1 GLU A 30 20.823 -11.589 -2.645 1.00 0.00 O ATOM 461 OE2 GLU A 30 22.799 -11.959 -3.533 1.00 0.00 O ATOM 0 H GLU A 30 23.453 -9.064 -4.413 1.00 0.00 H new ATOM 0 HA GLU A 30 20.559 -9.353 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.348 -7.905 -2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 30 20.848 -8.756 -1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 30 23.600 -9.895 -2.437 1.00 0.00 H new ATOM 0 HG3 GLU A 30 22.523 -10.158 -1.080 1.00 0.00 H new ATOM 468 N LYS A 31 21.791 -6.724 -5.367 1.00 0.00 N ATOM 469 CA LYS A 31 21.546 -5.361 -5.823 1.00 0.00 C ATOM 470 C LYS A 31 21.303 -4.427 -4.642 1.00 0.00 C ATOM 471 O LYS A 31 20.506 -3.493 -4.730 1.00 0.00 O ATOM 472 CB LYS A 31 20.345 -5.326 -6.770 1.00 0.00 C ATOM 473 CG LYS A 31 20.366 -6.424 -7.820 1.00 0.00 C ATOM 474 CD LYS A 31 21.692 -6.462 -8.560 1.00 0.00 C ATOM 475 CE LYS A 31 21.976 -5.145 -9.264 1.00 0.00 C ATOM 476 NZ LYS A 31 20.846 -4.730 -10.142 1.00 0.00 N ATOM 0 H LYS A 31 22.562 -7.195 -5.841 1.00 0.00 H new ATOM 0 HA LYS A 31 22.432 -5.019 -6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.429 -5.412 -6.185 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.315 -4.358 -7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.186 -7.388 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.556 -6.264 -8.531 1.00 0.00 H new ATOM 0 HD2 LYS A 31 22.496 -6.681 -7.857 1.00 0.00 H new ATOM 0 HD3 LYS A 31 21.679 -7.271 -9.291 1.00 0.00 H new ATOM 0 HE2 LYS A 31 22.163 -4.369 -8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 31 22.883 -5.240 -9.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 21.152 -3.947 -10.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 20.550 -5.535 -10.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 20.046 -4.419 -9.555 1.00 0.00 H new ATOM 490 N ALA A 32 21.996 -4.684 -3.537 1.00 0.00 N ATOM 491 CA ALA A 32 21.857 -3.864 -2.340 1.00 0.00 C ATOM 492 C ALA A 32 22.630 -2.557 -2.477 1.00 0.00 C ATOM 493 O ALA A 32 23.083 -2.206 -3.566 1.00 0.00 O ATOM 494 CB ALA A 32 22.330 -4.634 -1.116 1.00 0.00 C ATOM 0 H ALA A 32 22.659 -5.454 -3.446 1.00 0.00 H new ATOM 0 HA ALA A 32 20.802 -3.620 -2.217 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.221 -4.010 -0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 32 21.731 -5.537 -1.000 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.378 -4.907 -1.241 1.00 0.00 H new ATOM 500 N GLN A 33 22.776 -1.842 -1.367 1.00 0.00 N ATOM 501 CA GLN A 33 23.493 -0.573 -1.365 1.00 0.00 C ATOM 502 C GLN A 33 24.876 -0.730 -0.741 1.00 0.00 C ATOM 503 O GLN A 33 25.874 -0.264 -1.292 1.00 0.00 O ATOM 504 CB GLN A 33 22.695 0.488 -0.604 1.00 0.00 C ATOM 505 CG GLN A 33 22.451 1.756 -1.405 1.00 0.00 C ATOM 506 CD GLN A 33 21.856 2.870 -0.567 1.00 0.00 C ATOM 507 OE1 GLN A 33 21.965 2.866 0.660 1.00 0.00 O ATOM 508 NE2 GLN A 33 21.221 3.833 -1.226 1.00 0.00 N ATOM 0 H GLN A 33 22.407 -2.120 -0.457 1.00 0.00 H new ATOM 0 HA GLN A 33 23.615 -0.253 -2.400 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.735 0.065 -0.307 1.00 0.00 H new ATOM 0 HB3 GLN A 33 23.228 0.744 0.312 1.00 0.00 H new ATOM 0 HG2 GLN A 33 23.392 2.095 -1.837 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.781 1.533 -2.235 1.00 0.00 H new ATOM 0 HE21 GLN A 33 21.154 3.797 -2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 33 20.800 4.609 -0.715 1.00 0.00 H new ATOM 517 N HIS A 34 24.928 -1.389 0.413 1.00 0.00 N ATOM 518 CA HIS A 34 26.189 -1.607 1.112 1.00 0.00 C ATOM 519 C HIS A 34 26.283 -3.040 1.628 1.00 0.00 C ATOM 520 O HIS A 34 25.268 -3.705 1.832 1.00 0.00 O ATOM 521 CB HIS A 34 26.329 -0.624 2.274 1.00 0.00 C ATOM 522 CG HIS A 34 27.751 -0.295 2.612 1.00 0.00 C ATOM 523 ND1 HIS A 34 28.535 0.535 1.839 1.00 0.00 N ATOM 524 CD2 HIS A 34 28.529 -0.688 3.648 1.00 0.00 C ATOM 525 CE1 HIS A 34 29.734 0.638 2.384 1.00 0.00 C ATOM 526 NE2 HIS A 34 29.756 -0.095 3.483 1.00 0.00 N ATOM 0 H HIS A 34 24.112 -1.781 0.883 1.00 0.00 H new ATOM 0 HA HIS A 34 27.002 -1.440 0.405 1.00 0.00 H new ATOM 0 HB2 HIS A 34 25.801 0.297 2.026 1.00 0.00 H new ATOM 0 HB3 HIS A 34 25.842 -1.043 3.155 1.00 0.00 H new ATOM 0 HD2 HIS A 34 28.238 -1.346 4.454 1.00 0.00 H new ATOM 0 HE1 HIS A 34 30.556 1.222 1.997 1.00 0.00 H new ATOM 0 HE2 HIS A 34 30.555 -0.203 4.108 1.00 0.00 H new ATOM 534 N GLY A 35 27.509 -3.510 1.837 1.00 0.00 N ATOM 535 CA GLY A 35 27.712 -4.861 2.326 1.00 0.00 C ATOM 536 C GLY A 35 28.999 -5.005 3.114 1.00 0.00 C ATOM 537 O GLY A 35 29.957 -4.266 2.891 1.00 0.00 O ATOM 0 H GLY A 35 28.365 -2.979 1.676 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.870 -5.146 2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.727 -5.551 1.482 1.00 0.00 H new ATOM 541 N ALA A 36 29.021 -5.959 4.039 1.00 0.00 N ATOM 542 CA ALA A 36 30.201 -6.197 4.862 1.00 0.00 C ATOM 543 C ALA A 36 30.272 -7.653 5.311 1.00 0.00 C ATOM 544 O ALA A 36 29.277 -8.377 5.263 1.00 0.00 O ATOM 545 CB ALA A 36 30.198 -5.270 6.069 1.00 0.00 C ATOM 0 H ALA A 36 28.236 -6.579 4.237 1.00 0.00 H new ATOM 0 HA ALA A 36 31.084 -5.987 4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 36 31.084 -5.458 6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.203 -4.234 5.732 1.00 0.00 H new ATOM 0 HB3 ALA A 36 29.305 -5.453 6.666 1.00 0.00 H new ATOM 551 N CYS A 37 31.454 -8.076 5.747 1.00 0.00 N ATOM 552 CA CYS A 37 31.655 -9.446 6.203 1.00 0.00 C ATOM 553 C CYS A 37 32.155 -9.471 7.645 1.00 0.00 C ATOM 554 O CYS A 37 32.871 -8.568 8.081 1.00 0.00 O ATOM 555 CB CYS A 37 32.652 -10.167 5.294 1.00 0.00 C ATOM 556 SG CYS A 37 32.892 -11.926 5.701 1.00 0.00 S ATOM 0 H CYS A 37 32.287 -7.489 5.794 1.00 0.00 H new ATOM 0 HA CYS A 37 30.696 -9.961 6.160 1.00 0.00 H new ATOM 0 HB2 CYS A 37 32.310 -10.087 4.262 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.614 -9.657 5.351 1.00 0.00 H new ATOM 561 N HIS A 38 31.773 -10.510 8.380 1.00 0.00 N ATOM 562 CA HIS A 38 32.183 -10.654 9.772 1.00 0.00 C ATOM 563 C HIS A 38 32.208 -12.123 10.182 1.00 0.00 C ATOM 564 O HIS A 38 31.384 -12.919 9.731 1.00 0.00 O ATOM 565 CB HIS A 38 31.238 -9.873 10.687 1.00 0.00 C ATOM 566 CG HIS A 38 31.709 -9.795 12.107 1.00 0.00 C ATOM 567 ND1 HIS A 38 31.302 -10.679 13.084 1.00 0.00 N ATOM 568 CD2 HIS A 38 32.557 -8.932 12.712 1.00 0.00 C ATOM 569 CE1 HIS A 38 31.879 -10.361 14.229 1.00 0.00 C ATOM 570 NE2 HIS A 38 32.646 -9.305 14.030 1.00 0.00 N ATOM 0 H HIS A 38 31.180 -11.265 8.035 1.00 0.00 H new ATOM 0 HA HIS A 38 33.190 -10.250 9.872 1.00 0.00 H new ATOM 0 HB2 HIS A 38 31.119 -8.862 10.296 1.00 0.00 H new ATOM 0 HB3 HIS A 38 30.254 -10.341 10.664 1.00 0.00 H new ATOM 0 HD2 HIS A 38 33.069 -8.104 12.245 1.00 0.00 H new ATOM 0 HE1 HIS A 38 31.746 -10.877 15.168 1.00 0.00 H new ATOM 0 HE2 HIS A 38 33.213 -8.842 14.740 1.00 0.00 H new ATOM 578 N LYS A 39 33.160 -12.477 11.040 1.00 0.00 N ATOM 579 CA LYS A 39 33.293 -13.850 11.512 1.00 0.00 C ATOM 580 C LYS A 39 32.500 -14.063 12.797 1.00 0.00 C ATOM 581 O LYS A 39 32.609 -13.282 13.742 1.00 0.00 O ATOM 582 CB LYS A 39 34.767 -14.189 11.748 1.00 0.00 C ATOM 583 CG LYS A 39 35.442 -13.289 12.769 1.00 0.00 C ATOM 584 CD LYS A 39 35.619 -13.994 14.103 1.00 0.00 C ATOM 585 CE LYS A 39 37.002 -14.614 14.227 1.00 0.00 C ATOM 586 NZ LYS A 39 37.031 -15.711 15.234 1.00 0.00 N ATOM 0 H LYS A 39 33.851 -11.831 11.422 1.00 0.00 H new ATOM 0 HA LYS A 39 32.892 -14.512 10.745 1.00 0.00 H new ATOM 0 HB2 LYS A 39 34.844 -15.224 12.081 1.00 0.00 H new ATOM 0 HB3 LYS A 39 35.304 -14.118 10.802 1.00 0.00 H new ATOM 0 HG2 LYS A 39 36.415 -12.974 12.391 1.00 0.00 H new ATOM 0 HG3 LYS A 39 34.847 -12.387 12.909 1.00 0.00 H new ATOM 0 HD2 LYS A 39 35.464 -13.283 14.915 1.00 0.00 H new ATOM 0 HD3 LYS A 39 34.861 -14.770 14.209 1.00 0.00 H new ATOM 0 HE2 LYS A 39 37.314 -15.003 13.258 1.00 0.00 H new ATOM 0 HE3 LYS A 39 37.721 -13.844 14.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 37.991 -16.107 15.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 36.758 -15.335 16.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 36.364 -16.458 14.953 1.00 0.00 H new ATOM 600 N ARG A 40 31.702 -15.126 12.825 1.00 0.00 N ATOM 601 CA ARG A 40 30.891 -15.442 13.994 1.00 0.00 C ATOM 602 C ARG A 40 30.617 -16.940 14.077 1.00 0.00 C ATOM 603 O ARG A 40 31.012 -17.702 13.196 1.00 0.00 O ATOM 604 CB ARG A 40 29.569 -14.673 13.947 1.00 0.00 C ATOM 605 CG ARG A 40 29.501 -13.518 14.932 1.00 0.00 C ATOM 606 CD ARG A 40 28.997 -13.975 16.292 1.00 0.00 C ATOM 607 NE ARG A 40 28.260 -12.922 16.985 1.00 0.00 N ATOM 608 CZ ARG A 40 27.402 -13.154 17.973 1.00 0.00 C ATOM 609 NH1 ARG A 40 27.177 -14.395 18.382 1.00 0.00 N ATOM 610 NH2 ARG A 40 26.769 -12.143 18.555 1.00 0.00 N ATOM 0 H ARG A 40 31.600 -15.783 12.051 1.00 0.00 H new ATOM 0 HA ARG A 40 31.447 -15.142 14.882 1.00 0.00 H new ATOM 0 HB2 ARG A 40 29.418 -14.289 12.938 1.00 0.00 H new ATOM 0 HB3 ARG A 40 28.750 -15.362 14.151 1.00 0.00 H new ATOM 0 HG2 ARG A 40 30.490 -13.072 15.040 1.00 0.00 H new ATOM 0 HG3 ARG A 40 28.843 -12.743 14.540 1.00 0.00 H new ATOM 0 HD2 ARG A 40 28.353 -14.845 16.166 1.00 0.00 H new ATOM 0 HD3 ARG A 40 29.842 -14.289 16.905 1.00 0.00 H new ATOM 0 HE ARG A 40 28.412 -11.956 16.695 1.00 0.00 H new ATOM 0 HH11 ARG A 40 27.663 -15.174 17.938 1.00 0.00 H new ATOM 0 HH12 ARG A 40 26.518 -14.570 19.141 1.00 0.00 H new ATOM 0 HH21 ARG A 40 26.941 -11.187 18.244 1.00 0.00 H new ATOM 0 HH22 ARG A 40 26.111 -12.322 19.313 1.00 0.00 H new ATOM 624 N GLU A 41 29.939 -17.355 15.143 1.00 0.00 N ATOM 625 CA GLU A 41 29.614 -18.762 15.341 1.00 0.00 C ATOM 626 C GLU A 41 30.883 -19.597 15.493 1.00 0.00 C ATOM 627 O GLU A 41 31.966 -19.062 15.726 1.00 0.00 O ATOM 628 CB GLU A 41 28.783 -19.287 14.169 1.00 0.00 C ATOM 629 CG GLU A 41 27.766 -18.285 13.647 1.00 0.00 C ATOM 630 CD GLU A 41 27.026 -17.571 14.761 1.00 0.00 C ATOM 631 OE1 GLU A 41 26.791 -18.199 15.815 1.00 0.00 O ATOM 632 OE2 GLU A 41 26.682 -16.385 14.579 1.00 0.00 O ATOM 0 H GLU A 41 29.605 -16.737 15.882 1.00 0.00 H new ATOM 0 HA GLU A 41 29.030 -18.848 16.258 1.00 0.00 H new ATOM 0 HB2 GLU A 41 29.453 -19.569 13.357 1.00 0.00 H new ATOM 0 HB3 GLU A 41 28.262 -20.192 14.481 1.00 0.00 H new ATOM 0 HG2 GLU A 41 28.274 -17.549 13.023 1.00 0.00 H new ATOM 0 HG3 GLU A 41 27.047 -18.801 13.011 1.00 0.00 H new ATOM 639 N ALA A 42 30.738 -20.912 15.361 1.00 0.00 N ATOM 640 CA ALA A 42 31.871 -21.821 15.482 1.00 0.00 C ATOM 641 C ALA A 42 33.075 -21.304 14.702 1.00 0.00 C ATOM 642 O ALA A 42 34.217 -21.452 15.134 1.00 0.00 O ATOM 643 CB ALA A 42 31.485 -23.212 15.002 1.00 0.00 C ATOM 0 H ALA A 42 29.847 -21.371 15.170 1.00 0.00 H new ATOM 0 HA ALA A 42 32.150 -21.877 16.534 1.00 0.00 H new ATOM 0 HB1 ALA A 42 32.341 -23.880 15.098 1.00 0.00 H new ATOM 0 HB2 ALA A 42 30.660 -23.589 15.606 1.00 0.00 H new ATOM 0 HB3 ALA A 42 31.177 -23.164 13.957 1.00 0.00 H new ATOM 649 N GLY A 43 32.811 -20.698 13.548 1.00 0.00 N ATOM 650 CA GLY A 43 33.883 -20.170 12.725 1.00 0.00 C ATOM 651 C GLY A 43 33.436 -19.878 11.307 1.00 0.00 C ATOM 652 O GLY A 43 34.193 -20.074 10.356 1.00 0.00 O ATOM 0 H GLY A 43 31.874 -20.564 13.169 1.00 0.00 H new ATOM 0 HA2 GLY A 43 34.267 -19.255 13.177 1.00 0.00 H new ATOM 0 HA3 GLY A 43 34.706 -20.885 12.703 1.00 0.00 H new ATOM 656 N LYS A 44 32.201 -19.409 11.162 1.00 0.00 N ATOM 657 CA LYS A 44 31.652 -19.090 9.850 1.00 0.00 C ATOM 658 C LYS A 44 31.479 -17.583 9.685 1.00 0.00 C ATOM 659 O LYS A 44 30.951 -16.910 10.568 1.00 0.00 O ATOM 660 CB LYS A 44 30.308 -19.793 9.652 1.00 0.00 C ATOM 661 CG LYS A 44 29.215 -19.287 10.577 1.00 0.00 C ATOM 662 CD LYS A 44 28.191 -20.370 10.876 1.00 0.00 C ATOM 663 CE LYS A 44 28.792 -21.490 11.711 1.00 0.00 C ATOM 664 NZ LYS A 44 27.858 -21.949 12.776 1.00 0.00 N ATOM 0 H LYS A 44 31.561 -19.241 11.938 1.00 0.00 H new ATOM 0 HA LYS A 44 32.354 -19.443 9.094 1.00 0.00 H new ATOM 0 HB2 LYS A 44 29.987 -19.661 8.619 1.00 0.00 H new ATOM 0 HB3 LYS A 44 30.440 -20.863 9.811 1.00 0.00 H new ATOM 0 HG2 LYS A 44 29.659 -18.938 11.509 1.00 0.00 H new ATOM 0 HG3 LYS A 44 28.718 -18.431 10.120 1.00 0.00 H new ATOM 0 HD2 LYS A 44 27.343 -19.935 11.405 1.00 0.00 H new ATOM 0 HD3 LYS A 44 27.807 -20.778 9.941 1.00 0.00 H new ATOM 0 HE2 LYS A 44 29.046 -22.330 11.064 1.00 0.00 H new ATOM 0 HE3 LYS A 44 29.721 -21.146 12.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 28.396 -22.166 13.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 27.166 -21.199 12.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 27.359 -22.803 12.455 1.00 0.00 H new ATOM 678 N GLU A 45 31.928 -17.062 8.547 1.00 0.00 N ATOM 679 CA GLU A 45 31.821 -15.635 8.267 1.00 0.00 C ATOM 680 C GLU A 45 30.530 -15.323 7.515 1.00 0.00 C ATOM 681 O GLU A 45 30.233 -15.935 6.489 1.00 0.00 O ATOM 682 CB GLU A 45 33.026 -15.161 7.452 1.00 0.00 C ATOM 683 CG GLU A 45 34.029 -14.356 8.261 1.00 0.00 C ATOM 684 CD GLU A 45 35.348 -14.171 7.536 1.00 0.00 C ATOM 685 OE1 GLU A 45 35.711 -15.054 6.731 1.00 0.00 O ATOM 686 OE2 GLU A 45 36.018 -13.144 7.774 1.00 0.00 O ATOM 0 H GLU A 45 32.369 -17.606 7.805 1.00 0.00 H new ATOM 0 HA GLU A 45 31.804 -15.104 9.219 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.529 -16.029 7.025 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.674 -14.554 6.618 1.00 0.00 H new ATOM 0 HG2 GLU A 45 33.604 -13.379 8.490 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.209 -14.857 9.212 1.00 0.00 H new ATOM 693 N SER A 46 29.766 -14.366 8.034 1.00 0.00 N ATOM 694 CA SER A 46 28.505 -13.976 7.415 1.00 0.00 C ATOM 695 C SER A 46 28.626 -12.606 6.754 1.00 0.00 C ATOM 696 O SER A 46 29.374 -11.744 7.216 1.00 0.00 O ATOM 697 CB SER A 46 27.386 -13.955 8.458 1.00 0.00 C ATOM 698 OG SER A 46 27.828 -14.494 9.691 1.00 0.00 O ATOM 0 H SER A 46 29.999 -13.847 8.881 1.00 0.00 H new ATOM 0 HA SER A 46 28.262 -14.711 6.647 1.00 0.00 H new ATOM 0 HB2 SER A 46 27.043 -12.931 8.607 1.00 0.00 H new ATOM 0 HB3 SER A 46 26.533 -14.527 8.092 1.00 0.00 H new ATOM 0 HG SER A 46 27.095 -14.468 10.341 1.00 0.00 H new ATOM 704 N CYS A 47 27.883 -12.412 5.669 1.00 0.00 N ATOM 705 CA CYS A 47 27.905 -11.148 4.942 1.00 0.00 C ATOM 706 C CYS A 47 26.568 -10.425 5.069 1.00 0.00 C ATOM 707 O CYS A 47 25.532 -10.934 4.642 1.00 0.00 O ATOM 708 CB CYS A 47 28.230 -11.390 3.467 1.00 0.00 C ATOM 709 SG CYS A 47 28.932 -9.943 2.613 1.00 0.00 S ATOM 0 H CYS A 47 27.258 -13.115 5.274 1.00 0.00 H new ATOM 0 HA CYS A 47 28.681 -10.519 5.379 1.00 0.00 H new ATOM 0 HB2 CYS A 47 28.934 -12.219 3.392 1.00 0.00 H new ATOM 0 HB3 CYS A 47 27.320 -11.697 2.951 1.00 0.00 H new ATOM 714 N PHE A 48 26.599 -9.234 5.658 1.00 0.00 N ATOM 715 CA PHE A 48 25.390 -8.440 5.842 1.00 0.00 C ATOM 716 C PHE A 48 25.380 -7.239 4.901 1.00 0.00 C ATOM 717 O PHE A 48 26.353 -6.487 4.825 1.00 0.00 O ATOM 718 CB PHE A 48 25.280 -7.967 7.293 1.00 0.00 C ATOM 719 CG PHE A 48 26.583 -7.492 7.868 1.00 0.00 C ATOM 720 CD1 PHE A 48 27.480 -8.391 8.424 1.00 0.00 C ATOM 721 CD2 PHE A 48 26.912 -6.146 7.854 1.00 0.00 C ATOM 722 CE1 PHE A 48 28.679 -7.955 8.954 1.00 0.00 C ATOM 723 CE2 PHE A 48 28.111 -5.705 8.383 1.00 0.00 C ATOM 724 CZ PHE A 48 28.996 -6.611 8.933 1.00 0.00 C ATOM 0 H PHE A 48 27.449 -8.798 6.016 1.00 0.00 H new ATOM 0 HA PHE A 48 24.532 -9.070 5.607 1.00 0.00 H new ATOM 0 HB2 PHE A 48 24.551 -7.159 7.349 1.00 0.00 H new ATOM 0 HB3 PHE A 48 24.898 -8.784 7.905 1.00 0.00 H new ATOM 0 HD1 PHE A 48 27.239 -9.444 8.443 1.00 0.00 H new ATOM 0 HD2 PHE A 48 26.224 -5.433 7.425 1.00 0.00 H new ATOM 0 HE1 PHE A 48 29.369 -8.666 9.385 1.00 0.00 H new ATOM 0 HE2 PHE A 48 28.355 -4.653 8.366 1.00 0.00 H new ATOM 0 HZ PHE A 48 29.934 -6.269 9.346 1.00 0.00 H new ATOM 734 N CYS A 49 24.274 -7.064 4.186 1.00 0.00 N ATOM 735 CA CYS A 49 24.136 -5.956 3.249 1.00 0.00 C ATOM 736 C CYS A 49 22.866 -5.159 3.533 1.00 0.00 C ATOM 737 O CYS A 49 21.861 -5.711 3.981 1.00 0.00 O ATOM 738 CB CYS A 49 24.114 -6.476 1.810 1.00 0.00 C ATOM 739 SG CYS A 49 25.140 -7.957 1.539 1.00 0.00 S ATOM 0 H CYS A 49 23.460 -7.676 4.238 1.00 0.00 H new ATOM 0 HA CYS A 49 24.994 -5.296 3.376 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.085 -6.704 1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.455 -5.684 1.143 1.00 0.00 H new ATOM 744 N TYR A 50 22.918 -3.858 3.268 1.00 0.00 N ATOM 745 CA TYR A 50 21.774 -2.985 3.496 1.00 0.00 C ATOM 746 C TYR A 50 21.260 -2.405 2.182 1.00 0.00 C ATOM 747 O TYR A 50 22.040 -1.974 1.333 1.00 0.00 O ATOM 748 CB TYR A 50 22.153 -1.852 4.452 1.00 0.00 C ATOM 749 CG TYR A 50 22.626 -2.334 5.805 1.00 0.00 C ATOM 750 CD1 TYR A 50 21.976 -3.373 6.460 1.00 0.00 C ATOM 751 CD2 TYR A 50 23.723 -1.752 6.427 1.00 0.00 C ATOM 752 CE1 TYR A 50 22.405 -3.816 7.697 1.00 0.00 C ATOM 753 CE2 TYR A 50 24.159 -2.189 7.663 1.00 0.00 C ATOM 754 CZ TYR A 50 23.497 -3.221 8.294 1.00 0.00 C ATOM 755 OH TYR A 50 23.927 -3.661 9.524 1.00 0.00 O ATOM 0 H TYR A 50 23.741 -3.385 2.895 1.00 0.00 H new ATOM 0 HA TYR A 50 20.979 -3.581 3.945 1.00 0.00 H new ATOM 0 HB2 TYR A 50 22.938 -1.250 3.995 1.00 0.00 H new ATOM 0 HB3 TYR A 50 21.290 -1.200 4.589 1.00 0.00 H new ATOM 0 HD1 TYR A 50 21.122 -3.842 5.995 1.00 0.00 H new ATOM 0 HD2 TYR A 50 24.244 -0.944 5.936 1.00 0.00 H new ATOM 0 HE1 TYR A 50 21.888 -4.624 8.194 1.00 0.00 H new ATOM 0 HE2 TYR A 50 25.014 -1.725 8.132 1.00 0.00 H new ATOM 0 HH TYR A 50 24.707 -3.138 9.804 1.00 0.00 H new ATOM 765 N PHE A 51 19.940 -2.398 2.022 1.00 0.00 N ATOM 766 CA PHE A 51 19.320 -1.873 0.812 1.00 0.00 C ATOM 767 C PHE A 51 17.980 -1.215 1.129 1.00 0.00 C ATOM 768 O PHE A 51 17.343 -1.532 2.133 1.00 0.00 O ATOM 769 CB PHE A 51 19.121 -2.992 -0.213 1.00 0.00 C ATOM 770 CG PHE A 51 18.583 -2.510 -1.530 1.00 0.00 C ATOM 771 CD1 PHE A 51 19.261 -1.547 -2.260 1.00 0.00 C ATOM 772 CD2 PHE A 51 17.400 -3.021 -2.038 1.00 0.00 C ATOM 773 CE1 PHE A 51 18.769 -1.102 -3.472 1.00 0.00 C ATOM 774 CE2 PHE A 51 16.903 -2.580 -3.250 1.00 0.00 C ATOM 775 CZ PHE A 51 17.587 -1.619 -3.967 1.00 0.00 C ATOM 0 H PHE A 51 19.280 -2.750 2.715 1.00 0.00 H new ATOM 0 HA PHE A 51 19.985 -1.119 0.391 1.00 0.00 H new ATOM 0 HB2 PHE A 51 20.074 -3.494 -0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 51 18.438 -3.735 0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 51 20.185 -1.139 -1.877 1.00 0.00 H new ATOM 0 HD2 PHE A 51 16.860 -3.772 -1.481 1.00 0.00 H new ATOM 0 HE1 PHE A 51 19.307 -0.351 -4.032 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.980 -2.987 -3.636 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.199 -1.272 -4.913 1.00 0.00 H new ATOM 785 N ASP A 52 17.559 -0.297 0.266 1.00 0.00 N ATOM 786 CA ASP A 52 16.295 0.406 0.453 1.00 0.00 C ATOM 787 C ASP A 52 15.163 -0.307 -0.280 1.00 0.00 C ATOM 788 O ASP A 52 15.295 -0.664 -1.452 1.00 0.00 O ATOM 789 CB ASP A 52 16.411 1.848 -0.043 1.00 0.00 C ATOM 790 CG ASP A 52 17.183 1.954 -1.343 1.00 0.00 C ATOM 791 OD1 ASP A 52 16.682 1.455 -2.373 1.00 0.00 O ATOM 792 OD2 ASP A 52 18.288 2.536 -1.332 1.00 0.00 O ATOM 0 H ASP A 52 18.075 -0.022 -0.570 1.00 0.00 H new ATOM 0 HA ASP A 52 16.066 0.413 1.519 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.413 2.262 -0.182 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.904 2.452 0.719 1.00 0.00 H new ATOM 797 N CYS A 53 14.051 -0.513 0.417 1.00 0.00 N ATOM 798 CA CYS A 53 12.896 -1.185 -0.166 1.00 0.00 C ATOM 799 C CYS A 53 11.652 -0.306 -0.075 1.00 0.00 C ATOM 800 O CYS A 53 11.507 0.488 0.855 1.00 0.00 O ATOM 801 CB CYS A 53 12.645 -2.518 0.541 1.00 0.00 C ATOM 802 SG CYS A 53 13.337 -3.962 -0.327 1.00 0.00 S ATOM 0 H CYS A 53 13.925 -0.224 1.387 1.00 0.00 H new ATOM 0 HA CYS A 53 13.110 -1.374 -1.218 1.00 0.00 H new ATOM 0 HB2 CYS A 53 13.071 -2.471 1.543 1.00 0.00 H new ATOM 0 HB3 CYS A 53 11.570 -2.658 0.658 1.00 0.00 H new ATOM 807 N SER A 54 10.757 -0.454 -1.046 1.00 0.00 N ATOM 808 CA SER A 54 9.527 0.328 -1.077 1.00 0.00 C ATOM 809 C SER A 54 9.833 1.816 -1.216 1.00 0.00 C ATOM 810 O SER A 54 9.767 2.376 -2.311 1.00 0.00 O ATOM 811 CB SER A 54 8.707 0.081 0.191 1.00 0.00 C ATOM 812 OG SER A 54 8.281 -1.269 0.267 1.00 0.00 O ATOM 0 H SER A 54 10.861 -1.108 -1.822 1.00 0.00 H new ATOM 0 HA SER A 54 8.947 0.011 -1.943 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.305 0.327 1.068 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.839 0.741 0.201 1.00 0.00 H new ATOM 0 HG SER A 54 7.761 -1.402 1.087 1.00 0.00 H new ATOM 818 N LYS A 55 10.167 2.452 -0.098 1.00 0.00 N ATOM 819 CA LYS A 55 10.485 3.875 -0.093 1.00 0.00 C ATOM 820 C LYS A 55 11.683 4.161 0.807 1.00 0.00 C ATOM 821 O LYS A 55 12.370 5.169 0.641 1.00 0.00 O ATOM 822 CB LYS A 55 9.276 4.687 0.377 1.00 0.00 C ATOM 823 CG LYS A 55 8.882 5.799 -0.580 1.00 0.00 C ATOM 824 CD LYS A 55 7.869 5.319 -1.606 1.00 0.00 C ATOM 825 CE LYS A 55 8.412 5.434 -3.022 1.00 0.00 C ATOM 826 NZ LYS A 55 8.531 6.853 -3.457 1.00 0.00 N ATOM 0 H LYS A 55 10.224 2.004 0.817 1.00 0.00 H new ATOM 0 HA LYS A 55 10.739 4.169 -1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.428 4.016 0.510 1.00 0.00 H new ATOM 0 HB3 LYS A 55 9.496 5.120 1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.464 6.633 -0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.770 6.172 -1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.604 4.282 -1.400 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.954 5.905 -1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.389 4.954 -3.076 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.755 4.898 -3.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.904 6.889 -4.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.594 7.304 -3.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.177 7.359 -2.818 1.00 0.00 H new