USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 704 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 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= -0.587 USER MOD Single : A 4 LYS NZ :NH3+ -166:sc= -0.676 (180deg=-1.1) 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+ -129:sc= -0.394 (180deg=-3.14!) 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 147:sc= -0.222 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 Single : A 56 SER OG : rot 17:sc= 1.09 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0322 USER MOD Single : A 76 SER OG : rot 180:sc= -0.581 USER MOD Single : A 78 SER OG : rot 61:sc= 1.21 USER MOD Single : A 85 SER OG : rot 180:sc= -0.207 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot -124:sc= 0.691 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0853 USER MOD Single : A 108 HIS : no HD1:sc= -0.0445 X(o=-0.045,f=-0.051) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 1.501 -0.193 3.833 1.00 0.00 N ATOM 2 CA ALA A 1 2.749 -0.861 3.486 1.00 0.00 C ATOM 3 C ALA A 1 3.349 -0.276 2.212 1.00 0.00 C ATOM 4 O ALA A 1 2.850 -0.515 1.113 1.00 0.00 O ATOM 5 CB ALA A 1 2.521 -2.357 3.326 1.00 0.00 C ATOM 0 H1 ALA A 1 1.114 -0.610 4.703 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.680 0.820 3.985 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.817 -0.311 3.059 1.00 0.00 H new ATOM 0 HA ALA A 1 3.457 -0.698 4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 1 3.462 -2.843 3.067 1.00 0.00 H new ATOM 0 HB2 ALA A 1 2.145 -2.770 4.262 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.792 -2.531 2.534 1.00 0.00 H new ATOM 11 N GLY A 2 4.423 0.493 2.368 1.00 0.00 N ATOM 12 CA GLY A 2 5.072 1.101 1.221 1.00 0.00 C ATOM 13 C GLY A 2 6.276 1.935 1.612 1.00 0.00 C ATOM 14 O GLY A 2 6.456 3.048 1.116 1.00 0.00 O ATOM 0 H GLY A 2 4.855 0.705 3.267 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.384 0.320 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.355 1.729 0.692 1.00 0.00 H new 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 H SER A 3 6.969 0.478 2.922 1.00 0.00 H new 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 6.311 4.390 4.248 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 8.401 -4.693 7.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.466 -3.516 6.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.016 -5.092 6.342 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 37.089 -1.646 -6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 35.964 -1.795 -5.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 37.612 -1.581 -4.746 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 24.901 -3.572 9.581 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 ATOM 840 N SER A 56 11.929 3.267 1.759 1.00 0.00 N ATOM 841 CA SER A 56 13.043 3.425 2.687 1.00 0.00 C ATOM 842 C SER A 56 13.043 4.820 3.304 1.00 0.00 C ATOM 843 O SER A 56 13.817 5.697 2.918 1.00 0.00 O ATOM 844 CB SER A 56 14.371 3.171 1.970 1.00 0.00 C ATOM 845 OG SER A 56 14.631 4.178 1.007 1.00 0.00 O ATOM 0 H SER A 56 11.372 2.426 1.908 1.00 0.00 H new ATOM 0 HA SER A 56 12.924 2.694 3.487 1.00 0.00 H new ATOM 0 HB2 SER A 56 15.181 3.142 2.698 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.345 2.196 1.483 1.00 0.00 H new ATOM 0 HG SER A 56 14.059 4.954 1.182 1.00 0.00 H new ATOM 851 N PRO A 57 12.154 5.032 4.285 1.00 0.00 N ATOM 852 CA PRO A 57 12.031 6.319 4.977 1.00 0.00 C ATOM 853 C PRO A 57 13.232 6.615 5.868 1.00 0.00 C ATOM 854 O PRO A 57 14.087 5.760 6.104 1.00 0.00 O ATOM 855 CB PRO A 57 10.767 6.146 5.824 1.00 0.00 C ATOM 856 CG PRO A 57 10.652 4.677 6.038 1.00 0.00 C ATOM 857 CD PRO A 57 11.201 4.032 4.795 1.00 0.00 C ATOM 0 HA PRO A 57 11.982 7.155 4.279 1.00 0.00 H new ATOM 0 HB2 PRO A 57 10.849 6.679 6.771 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.890 6.541 5.311 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.213 4.366 6.919 1.00 0.00 H new ATOM 0 HG3 PRO A 57 9.614 4.387 6.202 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.693 3.085 5.017 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.414 3.821 4.071 1.00 0.00 H new ATOM 865 N PRO A 58 13.302 7.854 6.377 1.00 0.00 N ATOM 866 CA PRO A 58 14.395 8.291 7.251 1.00 0.00 C ATOM 867 C PRO A 58 14.341 7.626 8.622 1.00 0.00 C ATOM 868 O PRO A 58 13.849 8.209 9.587 1.00 0.00 O ATOM 869 CB PRO A 58 14.165 9.799 7.379 1.00 0.00 C ATOM 870 CG PRO A 58 12.708 9.983 7.132 1.00 0.00 C ATOM 871 CD PRO A 58 12.319 8.924 6.138 1.00 0.00 C ATOM 0 HA PRO A 58 15.372 8.028 6.845 1.00 0.00 H new ATOM 0 HB2 PRO A 58 14.447 10.160 8.368 1.00 0.00 H new ATOM 0 HB3 PRO A 58 14.762 10.353 6.655 1.00 0.00 H new ATOM 0 HG2 PRO A 58 12.139 9.878 8.056 1.00 0.00 H new ATOM 0 HG3 PRO A 58 12.501 10.979 6.742 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.299 8.576 6.300 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.370 9.295 5.114 1.00 0.00 H new ATOM 879 N GLY A 59 14.852 6.401 8.701 1.00 0.00 N ATOM 880 CA GLY A 59 14.853 5.677 9.959 1.00 0.00 C ATOM 881 C GLY A 59 16.041 4.746 10.091 1.00 0.00 C ATOM 882 O GLY A 59 17.190 5.182 10.027 1.00 0.00 O ATOM 0 H GLY A 59 15.265 5.897 7.916 1.00 0.00 H new ATOM 0 HA2 GLY A 59 14.860 6.389 10.784 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.932 5.100 10.043 1.00 0.00 H new ATOM 886 N ALA A 60 15.765 3.459 10.278 1.00 0.00 N ATOM 887 CA ALA A 60 16.821 2.464 10.420 1.00 0.00 C ATOM 888 C ALA A 60 16.237 1.068 10.606 1.00 0.00 C ATOM 889 O ALA A 60 15.045 0.847 10.388 1.00 0.00 O ATOM 890 CB ALA A 60 17.727 2.819 11.589 1.00 0.00 C ATOM 0 H ALA A 60 14.819 3.081 10.335 1.00 0.00 H new ATOM 0 HA ALA A 60 17.412 2.464 9.504 1.00 0.00 H new ATOM 0 HB1 ALA A 60 18.511 2.067 11.683 1.00 0.00 H new ATOM 0 HB2 ALA A 60 18.179 3.795 11.415 1.00 0.00 H new ATOM 0 HB3 ALA A 60 17.141 2.849 12.508 1.00 0.00 H new ATOM 896 N THR A 61 17.085 0.126 11.008 1.00 0.00 N ATOM 897 CA THR A 61 16.654 -1.250 11.221 1.00 0.00 C ATOM 898 C THR A 61 16.284 -1.921 9.904 1.00 0.00 C ATOM 899 O THR A 61 15.126 -2.257 9.654 1.00 0.00 O ATOM 900 CB THR A 61 15.447 -1.319 12.176 1.00 0.00 C ATOM 901 OG1 THR A 61 15.583 -0.336 13.209 1.00 0.00 O ATOM 902 CG2 THR A 61 15.328 -2.702 12.799 1.00 0.00 C ATOM 0 H THR A 61 18.074 0.291 11.193 1.00 0.00 H new ATOM 0 HA THR A 61 17.495 -1.778 11.671 1.00 0.00 H new ATOM 0 HB THR A 61 14.544 -1.118 11.600 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.811 -0.385 13.811 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.469 -2.726 13.469 1.00 0.00 H new ATOM 0 HG22 THR A 61 15.196 -3.445 12.013 1.00 0.00 H new ATOM 0 HG23 THR A 61 16.234 -2.927 13.362 1.00 0.00 H new ATOM 910 N PRO A 62 17.288 -2.122 9.038 1.00 0.00 N ATOM 911 CA PRO A 62 17.092 -2.756 7.731 1.00 0.00 C ATOM 912 C PRO A 62 16.767 -4.240 7.850 1.00 0.00 C ATOM 913 O PRO A 62 17.570 -5.023 8.356 1.00 0.00 O ATOM 914 CB PRO A 62 18.441 -2.558 7.035 1.00 0.00 C ATOM 915 CG PRO A 62 19.425 -2.428 8.146 1.00 0.00 C ATOM 916 CD PRO A 62 18.694 -1.747 9.270 1.00 0.00 C ATOM 0 HA PRO A 62 16.250 -2.323 7.190 1.00 0.00 H new ATOM 0 HB2 PRO A 62 18.682 -3.403 6.390 1.00 0.00 H new ATOM 0 HB3 PRO A 62 18.435 -1.668 6.405 1.00 0.00 H new ATOM 0 HG2 PRO A 62 19.794 -3.405 8.456 1.00 0.00 H new ATOM 0 HG3 PRO A 62 20.291 -1.844 7.834 1.00 0.00 H new ATOM 0 HD2 PRO A 62 19.046 -2.088 10.244 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.832 -0.666 9.243 1.00 0.00 H new ATOM 924 N ALA A 63 15.584 -4.622 7.379 1.00 0.00 N ATOM 925 CA ALA A 63 15.154 -6.013 7.430 1.00 0.00 C ATOM 926 C ALA A 63 13.774 -6.185 6.803 1.00 0.00 C ATOM 927 O ALA A 63 13.008 -5.232 6.659 1.00 0.00 O ATOM 928 CB ALA A 63 15.147 -6.511 8.868 1.00 0.00 C ATOM 0 H ALA A 63 14.906 -3.987 6.958 1.00 0.00 H new ATOM 0 HA ALA A 63 15.863 -6.607 6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.824 -7.552 8.891 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.151 -6.434 9.285 1.00 0.00 H new ATOM 0 HB3 ALA A 63 14.461 -5.905 9.460 1.00 0.00 H new ATOM 934 N PRO A 64 13.448 -7.428 6.420 1.00 0.00 N ATOM 935 CA PRO A 64 12.160 -7.754 5.801 1.00 0.00 C ATOM 936 C PRO A 64 11.001 -7.648 6.786 1.00 0.00 C ATOM 937 O PRO A 64 11.192 -7.536 7.997 1.00 0.00 O ATOM 938 CB PRO A 64 12.342 -9.203 5.343 1.00 0.00 C ATOM 939 CG PRO A 64 13.389 -9.757 6.247 1.00 0.00 C ATOM 940 CD PRO A 64 14.312 -8.612 6.561 1.00 0.00 C ATOM 0 HA PRO A 64 11.911 -7.066 4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 64 11.411 -9.764 5.425 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.653 -9.252 4.300 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.945 -10.161 7.157 1.00 0.00 H new ATOM 0 HG3 PRO A 64 13.929 -10.573 5.766 1.00 0.00 H new ATOM 0 HD2 PRO A 64 14.723 -8.692 7.567 1.00 0.00 H new ATOM 0 HD3 PRO A 64 15.157 -8.577 5.873 1.00 0.00 H new ATOM 948 N PRO A 65 9.769 -7.686 6.258 1.00 0.00 N ATOM 949 CA PRO A 65 8.554 -7.597 7.074 1.00 0.00 C ATOM 950 C PRO A 65 8.334 -8.844 7.923 1.00 0.00 C ATOM 951 O PRO A 65 7.525 -9.705 7.580 1.00 0.00 O ATOM 952 CB PRO A 65 7.439 -7.453 6.035 1.00 0.00 C ATOM 953 CG PRO A 65 7.986 -8.083 4.802 1.00 0.00 C ATOM 954 CD PRO A 65 9.466 -7.818 4.823 1.00 0.00 C ATOM 0 HA PRO A 65 8.600 -6.773 7.786 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.526 -7.951 6.362 1.00 0.00 H new ATOM 0 HB3 PRO A 65 7.188 -6.406 5.866 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.781 -9.154 4.787 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.526 -7.658 3.910 1.00 0.00 H new ATOM 0 HD2 PRO A 65 10.027 -8.634 4.367 1.00 0.00 H new ATOM 0 HD3 PRO A 65 9.720 -6.911 4.274 1.00 0.00 H new ATOM 962 N GLY A 66 9.059 -8.934 9.034 1.00 0.00 N ATOM 963 CA GLY A 66 8.928 -10.080 9.915 1.00 0.00 C ATOM 964 C GLY A 66 10.268 -10.593 10.402 1.00 0.00 C ATOM 965 O GLY A 66 10.471 -11.801 10.523 1.00 0.00 O ATOM 0 H GLY A 66 9.735 -8.234 9.340 1.00 0.00 H new ATOM 0 HA2 GLY A 66 8.314 -9.807 10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.405 -10.880 9.390 1.00 0.00 H new ATOM 969 N ALA A 67 11.186 -9.674 10.681 1.00 0.00 N ATOM 970 CA ALA A 67 12.514 -10.040 11.158 1.00 0.00 C ATOM 971 C ALA A 67 13.119 -8.927 12.007 1.00 0.00 C ATOM 972 O ALA A 67 13.141 -7.766 11.600 1.00 0.00 O ATOM 973 CB ALA A 67 13.425 -10.366 9.984 1.00 0.00 C ATOM 0 H ALA A 67 11.034 -8.670 10.585 1.00 0.00 H new ATOM 0 HA ALA A 67 12.416 -10.926 11.785 1.00 0.00 H new ATOM 0 HB1 ALA A 67 14.413 -10.638 10.355 1.00 0.00 H new ATOM 0 HB2 ALA A 67 13.007 -11.200 9.420 1.00 0.00 H new ATOM 0 HB3 ALA A 67 13.508 -9.494 9.335 1.00 0.00 H new ATOM 979 N ALA A 68 13.608 -9.290 13.188 1.00 0.00 N ATOM 980 CA ALA A 68 14.214 -8.321 14.094 1.00 0.00 C ATOM 981 C ALA A 68 15.467 -8.893 14.750 1.00 0.00 C ATOM 982 O ALA A 68 15.470 -9.255 15.927 1.00 0.00 O ATOM 983 CB ALA A 68 13.211 -7.889 15.153 1.00 0.00 C ATOM 0 H ALA A 68 13.597 -10.247 13.540 1.00 0.00 H new ATOM 0 HA ALA A 68 14.507 -7.448 13.511 1.00 0.00 H new ATOM 0 HB1 ALA A 68 13.677 -7.166 15.822 1.00 0.00 H new ATOM 0 HB2 ALA A 68 12.347 -7.433 14.671 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.890 -8.759 15.726 1.00 0.00 H new ATOM 989 N PRO A 69 16.557 -8.978 13.973 1.00 0.00 N ATOM 990 CA PRO A 69 17.836 -9.505 14.458 1.00 0.00 C ATOM 991 C PRO A 69 18.504 -8.572 15.462 1.00 0.00 C ATOM 992 O PRO A 69 18.111 -7.417 15.629 1.00 0.00 O ATOM 993 CB PRO A 69 18.680 -9.614 13.186 1.00 0.00 C ATOM 994 CG PRO A 69 18.097 -8.606 12.257 1.00 0.00 C ATOM 995 CD PRO A 69 16.625 -8.565 12.561 1.00 0.00 C ATOM 0 HA PRO A 69 17.713 -10.450 14.987 1.00 0.00 H new ATOM 0 HB2 PRO A 69 19.730 -9.405 13.389 1.00 0.00 H new ATOM 0 HB3 PRO A 69 18.631 -10.617 12.763 1.00 0.00 H new ATOM 0 HG2 PRO A 69 18.554 -7.628 12.406 1.00 0.00 H new ATOM 0 HG3 PRO A 69 18.273 -8.885 11.218 1.00 0.00 H new ATOM 0 HD2 PRO A 69 16.212 -7.567 12.414 1.00 0.00 H new ATOM 0 HD3 PRO A 69 16.063 -9.241 11.917 1.00 0.00 H new ATOM 1003 N PRO A 70 19.538 -9.081 16.147 1.00 0.00 N ATOM 1004 CA PRO A 70 20.283 -8.309 17.146 1.00 0.00 C ATOM 1005 C PRO A 70 21.120 -7.201 16.516 1.00 0.00 C ATOM 1006 O PRO A 70 21.316 -7.152 15.301 1.00 0.00 O ATOM 1007 CB PRO A 70 21.188 -9.356 17.801 1.00 0.00 C ATOM 1008 CG PRO A 70 21.354 -10.414 16.766 1.00 0.00 C ATOM 1009 CD PRO A 70 20.060 -10.450 16.000 1.00 0.00 C ATOM 0 HA PRO A 70 19.620 -7.801 17.846 1.00 0.00 H new ATOM 0 HB2 PRO A 70 22.149 -8.927 18.086 1.00 0.00 H new ATOM 0 HB3 PRO A 70 20.737 -9.757 18.708 1.00 0.00 H new ATOM 0 HG2 PRO A 70 22.192 -10.187 16.107 1.00 0.00 H new ATOM 0 HG3 PRO A 70 21.563 -11.380 17.225 1.00 0.00 H new ATOM 0 HD2 PRO A 70 20.220 -10.709 14.953 1.00 0.00 H new ATOM 0 HD3 PRO A 70 19.371 -11.189 16.409 1.00 0.00 H new ATOM 1017 N PRO A 71 21.627 -6.289 17.359 1.00 0.00 N ATOM 1018 CA PRO A 71 22.452 -5.165 16.906 1.00 0.00 C ATOM 1019 C PRO A 71 23.823 -5.614 16.412 1.00 0.00 C ATOM 1020 O PRO A 71 24.073 -6.807 16.247 1.00 0.00 O ATOM 1021 CB PRO A 71 22.592 -4.300 18.161 1.00 0.00 C ATOM 1022 CG PRO A 71 22.412 -5.247 19.296 1.00 0.00 C ATOM 1023 CD PRO A 71 21.434 -6.285 18.818 1.00 0.00 C ATOM 0 HA PRO A 71 22.003 -4.644 16.061 1.00 0.00 H new ATOM 0 HB2 PRO A 71 23.567 -3.815 18.201 1.00 0.00 H new ATOM 0 HB3 PRO A 71 21.842 -3.509 18.182 1.00 0.00 H new ATOM 0 HG2 PRO A 71 23.361 -5.705 19.577 1.00 0.00 H new ATOM 0 HG3 PRO A 71 22.033 -4.731 20.178 1.00 0.00 H new ATOM 0 HD2 PRO A 71 21.641 -7.263 19.253 1.00 0.00 H new ATOM 0 HD3 PRO A 71 20.410 -6.026 19.087 1.00 0.00 H new ATOM 1031 N ALA A 72 24.708 -4.650 16.179 1.00 0.00 N ATOM 1032 CA ALA A 72 26.054 -4.947 15.706 1.00 0.00 C ATOM 1033 C ALA A 72 26.023 -5.572 14.316 1.00 0.00 C ATOM 1034 O ALA A 72 25.596 -6.714 14.149 1.00 0.00 O ATOM 1035 CB ALA A 72 26.766 -5.868 16.686 1.00 0.00 C ATOM 0 H ALA A 72 24.517 -3.657 16.310 1.00 0.00 H new ATOM 0 HA ALA A 72 26.605 -4.009 15.640 1.00 0.00 H new ATOM 0 HB1 ALA A 72 27.770 -6.082 16.320 1.00 0.00 H new ATOM 0 HB2 ALA A 72 26.830 -5.383 17.660 1.00 0.00 H new ATOM 0 HB3 ALA A 72 26.208 -6.800 16.780 1.00 0.00 H new ATOM 1041 N ALA A 73 26.476 -4.816 13.322 1.00 0.00 N ATOM 1042 CA ALA A 73 26.501 -5.298 11.946 1.00 0.00 C ATOM 1043 C ALA A 73 27.253 -4.330 11.039 1.00 0.00 C ATOM 1044 O ALA A 73 26.656 -3.667 10.192 1.00 0.00 O ATOM 1045 CB ALA A 73 25.084 -5.510 11.436 1.00 0.00 C ATOM 0 H ALA A 73 26.831 -3.867 13.443 1.00 0.00 H new ATOM 0 HA ALA A 73 27.028 -6.252 11.930 1.00 0.00 H new ATOM 0 HB1 ALA A 73 25.117 -5.870 10.408 1.00 0.00 H new ATOM 0 HB2 ALA A 73 24.578 -6.246 12.062 1.00 0.00 H new ATOM 0 HB3 ALA A 73 24.539 -4.567 11.473 1.00 0.00 H new ATOM 1051 N GLY A 74 28.568 -4.252 11.224 1.00 0.00 N ATOM 1052 CA GLY A 74 29.379 -3.361 10.415 1.00 0.00 C ATOM 1053 C GLY A 74 30.699 -3.986 10.010 1.00 0.00 C ATOM 1054 O GLY A 74 31.329 -4.689 10.800 1.00 0.00 O ATOM 0 H GLY A 74 29.085 -4.790 11.919 1.00 0.00 H new ATOM 0 HA2 GLY A 74 28.823 -3.081 9.520 1.00 0.00 H new ATOM 0 HA3 GLY A 74 29.571 -2.443 10.971 1.00 0.00 H new ATOM 1058 N GLY A 75 31.119 -3.731 8.775 1.00 0.00 N ATOM 1059 CA GLY A 75 32.370 -4.282 8.288 1.00 0.00 C ATOM 1060 C GLY A 75 33.044 -3.382 7.272 1.00 0.00 C ATOM 1061 O GLY A 75 32.791 -2.178 7.234 1.00 0.00 O ATOM 0 H GLY A 75 30.615 -3.153 8.103 1.00 0.00 H new ATOM 0 HA2 GLY A 75 33.044 -4.444 9.129 1.00 0.00 H new ATOM 0 HA3 GLY A 75 32.183 -5.257 7.838 1.00 0.00 H new ATOM 1065 N SER A 76 33.907 -3.966 6.446 1.00 0.00 N ATOM 1066 CA SER A 76 34.624 -3.207 5.428 1.00 0.00 C ATOM 1067 C SER A 76 35.313 -1.992 6.041 1.00 0.00 C ATOM 1068 O SER A 76 34.948 -0.845 5.785 1.00 0.00 O ATOM 1069 CB SER A 76 33.663 -2.760 4.324 1.00 0.00 C ATOM 1070 OG SER A 76 34.343 -2.596 3.092 1.00 0.00 O ATOM 0 H SER A 76 34.126 -4.962 6.462 1.00 0.00 H new ATOM 0 HA SER A 76 35.386 -3.855 4.996 1.00 0.00 H new ATOM 0 HB2 SER A 76 32.868 -3.497 4.209 1.00 0.00 H new ATOM 0 HB3 SER A 76 33.188 -1.821 4.609 1.00 0.00 H new ATOM 0 HG SER A 76 33.707 -2.312 2.403 1.00 0.00 H new ATOM 1076 N PRO A 77 36.336 -2.249 6.870 1.00 0.00 N ATOM 1077 CA PRO A 77 37.099 -1.190 7.537 1.00 0.00 C ATOM 1078 C PRO A 77 37.961 -0.396 6.562 1.00 0.00 C ATOM 1079 O PRO A 77 38.229 0.786 6.777 1.00 0.00 O ATOM 1080 CB PRO A 77 37.979 -1.957 8.527 1.00 0.00 C ATOM 1081 CG PRO A 77 38.120 -3.317 7.934 1.00 0.00 C ATOM 1082 CD PRO A 77 36.825 -3.593 7.220 1.00 0.00 C ATOM 0 HA PRO A 77 36.448 -0.452 8.007 1.00 0.00 H new ATOM 0 HB2 PRO A 77 38.949 -1.476 8.649 1.00 0.00 H new ATOM 0 HB3 PRO A 77 37.519 -2.001 9.514 1.00 0.00 H new ATOM 0 HG2 PRO A 77 38.963 -3.356 7.244 1.00 0.00 H new ATOM 0 HG3 PRO A 77 38.306 -4.063 8.707 1.00 0.00 H new ATOM 0 HD2 PRO A 77 36.978 -4.209 6.334 1.00 0.00 H new ATOM 0 HD3 PRO A 77 36.119 -4.124 7.859 1.00 0.00 H new ATOM 1090 N SER A 78 38.393 -1.052 5.490 1.00 0.00 N ATOM 1091 CA SER A 78 39.228 -0.407 4.484 1.00 0.00 C ATOM 1092 C SER A 78 39.575 -1.380 3.361 1.00 0.00 C ATOM 1093 O SER A 78 40.698 -1.875 3.259 1.00 0.00 O ATOM 1094 CB SER A 78 40.510 0.131 5.122 1.00 0.00 C ATOM 1095 OG SER A 78 40.380 1.504 5.448 1.00 0.00 O ATOM 0 H SER A 78 38.178 -2.030 5.296 1.00 0.00 H new ATOM 0 HA SER A 78 38.665 0.425 4.060 1.00 0.00 H new ATOM 0 HB2 SER A 78 40.739 -0.440 6.022 1.00 0.00 H new ATOM 0 HB3 SER A 78 41.346 -0.006 4.436 1.00 0.00 H new ATOM 0 HG SER A 78 39.653 1.619 6.095 1.00 0.00 H new ATOM 1101 N PRO A 79 38.589 -1.662 2.497 1.00 0.00 N ATOM 1102 CA PRO A 79 38.765 -2.577 1.366 1.00 0.00 C ATOM 1103 C PRO A 79 39.675 -1.999 0.288 1.00 0.00 C ATOM 1104 O PRO A 79 40.000 -0.811 0.288 1.00 0.00 O ATOM 1105 CB PRO A 79 37.343 -2.752 0.827 1.00 0.00 C ATOM 1106 CG PRO A 79 36.626 -1.513 1.240 1.00 0.00 C ATOM 1107 CD PRO A 79 37.225 -1.108 2.558 1.00 0.00 C ATOM 0 HA PRO A 79 39.240 -3.511 1.668 1.00 0.00 H new ATOM 0 HB2 PRO A 79 37.342 -2.867 -0.257 1.00 0.00 H new ATOM 0 HB3 PRO A 79 36.869 -3.641 1.243 1.00 0.00 H new ATOM 0 HG2 PRO A 79 36.749 -0.725 0.497 1.00 0.00 H new ATOM 0 HG3 PRO A 79 35.556 -1.695 1.337 1.00 0.00 H new ATOM 0 HD2 PRO A 79 37.236 -0.025 2.678 1.00 0.00 H new ATOM 0 HD3 PRO A 79 36.662 -1.516 3.398 1.00 0.00 H new ATOM 1115 N PRO A 80 40.098 -2.856 -0.653 1.00 0.00 N ATOM 1116 CA PRO A 80 40.977 -2.451 -1.754 1.00 0.00 C ATOM 1117 C PRO A 80 40.270 -1.546 -2.757 1.00 0.00 C ATOM 1118 O PRO A 80 39.133 -1.129 -2.538 1.00 0.00 O ATOM 1119 CB PRO A 80 41.358 -3.781 -2.411 1.00 0.00 C ATOM 1120 CG PRO A 80 40.238 -4.704 -2.074 1.00 0.00 C ATOM 1121 CD PRO A 80 39.750 -4.285 -0.715 1.00 0.00 C ATOM 0 HA PRO A 80 41.831 -1.873 -1.402 1.00 0.00 H new ATOM 0 HB2 PRO A 80 41.470 -3.672 -3.490 1.00 0.00 H new ATOM 0 HB3 PRO A 80 42.308 -4.154 -2.028 1.00 0.00 H new ATOM 0 HG2 PRO A 80 39.440 -4.635 -2.813 1.00 0.00 H new ATOM 0 HG3 PRO A 80 40.576 -5.740 -2.065 1.00 0.00 H new ATOM 0 HD2 PRO A 80 38.677 -4.442 -0.607 1.00 0.00 H new ATOM 0 HD3 PRO A 80 40.236 -4.852 0.079 1.00 0.00 H new ATOM 1129 N ALA A 81 40.951 -1.245 -3.858 1.00 0.00 N ATOM 1130 CA ALA A 81 40.387 -0.391 -4.896 1.00 0.00 C ATOM 1131 C ALA A 81 39.911 -1.215 -6.087 1.00 0.00 C ATOM 1132 O ALA A 81 39.852 -2.443 -6.021 1.00 0.00 O ATOM 1133 CB ALA A 81 41.409 0.644 -5.341 1.00 0.00 C ATOM 0 H ALA A 81 41.894 -1.580 -4.054 1.00 0.00 H new ATOM 0 HA ALA A 81 39.523 0.125 -4.477 1.00 0.00 H new ATOM 0 HB1 ALA A 81 40.974 1.275 -6.116 1.00 0.00 H new ATOM 0 HB2 ALA A 81 41.696 1.261 -4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 81 42.290 0.139 -5.736 1.00 0.00 H new ATOM 1139 N ASP A 82 39.574 -0.532 -7.176 1.00 0.00 N ATOM 1140 CA ASP A 82 39.104 -1.202 -8.383 1.00 0.00 C ATOM 1141 C ASP A 82 40.093 -2.273 -8.831 1.00 0.00 C ATOM 1142 O ASP A 82 41.131 -1.967 -9.418 1.00 0.00 O ATOM 1143 CB ASP A 82 38.890 -0.185 -9.506 1.00 0.00 C ATOM 1144 CG ASP A 82 37.960 -0.701 -10.585 1.00 0.00 C ATOM 1145 OD1 ASP A 82 36.800 -1.032 -10.260 1.00 0.00 O ATOM 1146 OD2 ASP A 82 38.391 -0.776 -11.755 1.00 0.00 O ATOM 0 H ASP A 82 39.618 0.485 -7.247 1.00 0.00 H new ATOM 0 HA ASP A 82 38.154 -1.684 -8.154 1.00 0.00 H new ATOM 0 HB2 ASP A 82 38.481 0.734 -9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 82 39.852 0.069 -9.951 1.00 0.00 H new ATOM 1151 N GLY A 83 39.765 -3.530 -8.549 1.00 0.00 N ATOM 1152 CA GLY A 83 40.636 -4.627 -8.929 1.00 0.00 C ATOM 1153 C GLY A 83 41.994 -4.548 -8.260 1.00 0.00 C ATOM 1154 O GLY A 83 42.894 -3.863 -8.744 1.00 0.00 O ATOM 0 H GLY A 83 38.912 -3.808 -8.064 1.00 0.00 H new ATOM 0 HA2 GLY A 83 40.160 -5.572 -8.667 1.00 0.00 H new ATOM 0 HA3 GLY A 83 40.767 -4.625 -10.011 1.00 0.00 H new ATOM 1158 N GLY A 84 42.142 -5.250 -7.140 1.00 0.00 N ATOM 1159 CA GLY A 84 43.403 -5.241 -6.420 1.00 0.00 C ATOM 1160 C GLY A 84 43.694 -6.566 -5.746 1.00 0.00 C ATOM 1161 O GLY A 84 43.008 -7.559 -5.989 1.00 0.00 O ATOM 0 H GLY A 84 41.412 -5.824 -6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 84 44.211 -5.003 -7.112 1.00 0.00 H new ATOM 0 HA3 GLY A 84 43.384 -4.451 -5.669 1.00 0.00 H new ATOM 1165 N SER A 85 44.717 -6.584 -4.896 1.00 0.00 N ATOM 1166 CA SER A 85 45.102 -7.799 -4.188 1.00 0.00 C ATOM 1167 C SER A 85 46.290 -7.538 -3.268 1.00 0.00 C ATOM 1168 O SER A 85 47.418 -7.951 -3.537 1.00 0.00 O ATOM 1169 CB SER A 85 45.447 -8.907 -5.185 1.00 0.00 C ATOM 1170 OG SER A 85 45.824 -8.366 -6.439 1.00 0.00 O ATOM 0 H SER A 85 45.294 -5.770 -4.681 1.00 0.00 H new ATOM 0 HA SER A 85 44.257 -8.119 -3.578 1.00 0.00 H new ATOM 0 HB2 SER A 85 46.260 -9.516 -4.789 1.00 0.00 H new ATOM 0 HB3 SER A 85 44.588 -9.566 -5.313 1.00 0.00 H new ATOM 0 HG SER A 85 46.041 -9.094 -7.058 1.00 0.00 H new ATOM 1176 N PRO A 86 46.032 -6.836 -2.155 1.00 0.00 N ATOM 1177 CA PRO A 86 47.067 -6.504 -1.171 1.00 0.00 C ATOM 1178 C PRO A 86 47.551 -7.729 -0.403 1.00 0.00 C ATOM 1179 O PRO A 86 46.950 -8.803 -0.456 1.00 0.00 O ATOM 1180 CB PRO A 86 46.359 -5.528 -0.228 1.00 0.00 C ATOM 1181 CG PRO A 86 44.913 -5.864 -0.349 1.00 0.00 C ATOM 1182 CD PRO A 86 44.710 -6.313 -1.770 1.00 0.00 C ATOM 0 HA PRO A 86 47.960 -6.092 -1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 86 46.708 -5.646 0.798 1.00 0.00 H new ATOM 0 HB3 PRO A 86 46.550 -4.493 -0.513 1.00 0.00 H new ATOM 0 HG2 PRO A 86 44.635 -6.651 0.352 1.00 0.00 H new ATOM 0 HG3 PRO A 86 44.291 -4.999 -0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 86 43.938 -7.079 -1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 86 44.402 -5.488 -2.412 1.00 0.00 H new ATOM 1190 N PRO A 87 48.664 -7.569 0.328 1.00 0.00 N ATOM 1191 CA PRO A 87 49.253 -8.651 1.122 1.00 0.00 C ATOM 1192 C PRO A 87 48.396 -9.019 2.328 1.00 0.00 C ATOM 1193 O PRO A 87 47.461 -8.307 2.696 1.00 0.00 O ATOM 1194 CB PRO A 87 50.594 -8.069 1.576 1.00 0.00 C ATOM 1195 CG PRO A 87 50.390 -6.593 1.564 1.00 0.00 C ATOM 1196 CD PRO A 87 49.432 -6.317 0.438 1.00 0.00 C ATOM 0 HA PRO A 87 49.345 -9.573 0.548 1.00 0.00 H new ATOM 0 HB2 PRO A 87 50.863 -8.423 2.571 1.00 0.00 H new ATOM 0 HB3 PRO A 87 51.401 -8.363 0.904 1.00 0.00 H new ATOM 0 HG2 PRO A 87 49.985 -6.247 2.515 1.00 0.00 H new ATOM 0 HG3 PRO A 87 51.334 -6.070 1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 87 48.786 -5.468 0.659 1.00 0.00 H new ATOM 0 HD3 PRO A 87 49.957 -6.085 -0.489 1.00 0.00 H new ATOM 1204 N PRO A 88 48.719 -10.156 2.961 1.00 0.00 N ATOM 1205 CA PRO A 88 47.991 -10.643 4.136 1.00 0.00 C ATOM 1206 C PRO A 88 48.230 -9.775 5.367 1.00 0.00 C ATOM 1207 O PRO A 88 49.123 -8.928 5.395 1.00 0.00 O ATOM 1208 CB PRO A 88 48.563 -12.046 4.352 1.00 0.00 C ATOM 1209 CG PRO A 88 49.922 -11.999 3.744 1.00 0.00 C ATOM 1210 CD PRO A 88 49.822 -11.054 2.578 1.00 0.00 C ATOM 0 HA PRO A 88 46.912 -10.627 3.982 1.00 0.00 H new ATOM 0 HB2 PRO A 88 48.612 -12.295 5.412 1.00 0.00 H new ATOM 0 HB3 PRO A 88 47.942 -12.804 3.875 1.00 0.00 H new ATOM 0 HG2 PRO A 88 50.661 -11.651 4.466 1.00 0.00 H new ATOM 0 HG3 PRO A 88 50.238 -12.990 3.417 1.00 0.00 H new ATOM 0 HD2 PRO A 88 50.752 -10.506 2.424 1.00 0.00 H new ATOM 0 HD3 PRO A 88 49.606 -11.583 1.650 1.00 0.00 H new ATOM 1218 N PRO A 89 47.415 -9.989 6.411 1.00 0.00 N ATOM 1219 CA PRO A 89 47.520 -9.237 7.664 1.00 0.00 C ATOM 1220 C PRO A 89 48.779 -9.590 8.449 1.00 0.00 C ATOM 1221 O PRO A 89 49.509 -8.708 8.899 1.00 0.00 O ATOM 1222 CB PRO A 89 46.270 -9.662 8.439 1.00 0.00 C ATOM 1223 CG PRO A 89 45.927 -11.006 7.896 1.00 0.00 C ATOM 1224 CD PRO A 89 46.329 -10.983 6.448 1.00 0.00 C ATOM 0 HA PRO A 89 47.586 -8.163 7.490 1.00 0.00 H new ATOM 0 HB2 PRO A 89 46.464 -9.706 9.511 1.00 0.00 H new ATOM 0 HB3 PRO A 89 45.453 -8.955 8.292 1.00 0.00 H new ATOM 0 HG2 PRO A 89 46.456 -11.791 8.435 1.00 0.00 H new ATOM 0 HG3 PRO A 89 44.861 -11.209 8.002 1.00 0.00 H new ATOM 0 HD2 PRO A 89 46.669 -11.962 6.110 1.00 0.00 H new ATOM 0 HD3 PRO A 89 45.498 -10.694 5.805 1.00 0.00 H new ATOM 1232 N ALA A 90 49.026 -10.886 8.609 1.00 0.00 N ATOM 1233 CA ALA A 90 50.198 -11.356 9.338 1.00 0.00 C ATOM 1234 C ALA A 90 51.197 -12.025 8.399 1.00 0.00 C ATOM 1235 O ALA A 90 52.406 -11.965 8.619 1.00 0.00 O ATOM 1236 CB ALA A 90 49.784 -12.316 10.442 1.00 0.00 C ATOM 0 H ALA A 90 48.430 -11.629 8.244 1.00 0.00 H new ATOM 0 HA ALA A 90 50.685 -10.491 9.788 1.00 0.00 H new ATOM 0 HB1 ALA A 90 50.670 -12.658 10.977 1.00 0.00 H new ATOM 0 HB2 ALA A 90 49.115 -11.806 11.135 1.00 0.00 H new ATOM 0 HB3 ALA A 90 49.270 -13.172 10.006 1.00 0.00 H new ATOM 1242 N ASP A 91 50.682 -12.662 7.353 1.00 0.00 N ATOM 1243 CA ASP A 91 51.529 -13.343 6.380 1.00 0.00 C ATOM 1244 C ASP A 91 52.122 -14.617 6.973 1.00 0.00 C ATOM 1245 O ASP A 91 51.762 -15.724 6.577 1.00 0.00 O ATOM 1246 CB ASP A 91 52.649 -12.414 5.910 1.00 0.00 C ATOM 1247 CG ASP A 91 53.209 -12.820 4.560 1.00 0.00 C ATOM 1248 OD1 ASP A 91 53.597 -13.997 4.409 1.00 0.00 O ATOM 1249 OD2 ASP A 91 53.260 -11.960 3.656 1.00 0.00 O ATOM 0 H ASP A 91 49.683 -12.721 7.157 1.00 0.00 H new ATOM 0 HA ASP A 91 50.911 -13.616 5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 91 52.270 -11.394 5.851 1.00 0.00 H new ATOM 0 HB3 ASP A 91 53.451 -12.414 6.648 1.00 0.00 H new ATOM 1254 N GLY A 92 53.035 -14.451 7.925 1.00 0.00 N ATOM 1255 CA GLY A 92 53.665 -15.596 8.556 1.00 0.00 C ATOM 1256 C GLY A 92 54.214 -15.271 9.931 1.00 0.00 C ATOM 1257 O GLY A 92 55.290 -15.737 10.304 1.00 0.00 O ATOM 0 H GLY A 92 53.350 -13.544 8.270 1.00 0.00 H new ATOM 0 HA2 GLY A 92 52.940 -16.405 8.640 1.00 0.00 H new ATOM 0 HA3 GLY A 92 54.474 -15.957 7.921 1.00 0.00 H new ATOM 1261 N GLY A 93 53.473 -14.467 10.688 1.00 0.00 N ATOM 1262 CA GLY A 93 53.909 -14.092 12.020 1.00 0.00 C ATOM 1263 C GLY A 93 53.680 -12.623 12.314 1.00 0.00 C ATOM 1264 O GLY A 93 53.211 -11.877 11.454 1.00 0.00 O ATOM 0 H GLY A 93 52.578 -14.069 10.402 1.00 0.00 H new ATOM 0 HA2 GLY A 93 53.376 -14.694 12.756 1.00 0.00 H new ATOM 0 HA3 GLY A 93 54.969 -14.320 12.129 1.00 0.00 H new ATOM 1268 N SER A 94 54.008 -12.206 13.532 1.00 0.00 N ATOM 1269 CA SER A 94 53.830 -10.817 13.939 1.00 0.00 C ATOM 1270 C SER A 94 52.404 -10.349 13.663 1.00 0.00 C ATOM 1271 O SER A 94 52.102 -9.782 12.612 1.00 0.00 O ATOM 1272 CB SER A 94 54.825 -9.916 13.205 1.00 0.00 C ATOM 1273 OG SER A 94 55.827 -9.438 14.086 1.00 0.00 O ATOM 0 H SER A 94 54.399 -12.810 14.255 1.00 0.00 H new ATOM 0 HA SER A 94 54.015 -10.752 15.011 1.00 0.00 H new ATOM 0 HB2 SER A 94 55.288 -10.470 12.389 1.00 0.00 H new ATOM 0 HB3 SER A 94 54.297 -9.073 12.759 1.00 0.00 H new ATOM 0 HG SER A 94 56.451 -8.866 13.592 1.00 0.00 H new ATOM 1279 N PRO A 95 51.505 -10.590 14.628 1.00 0.00 N ATOM 1280 CA PRO A 95 51.853 -11.264 15.883 1.00 0.00 C ATOM 1281 C PRO A 95 52.176 -12.740 15.678 1.00 0.00 C ATOM 1282 O PRO A 95 51.829 -13.341 14.661 1.00 0.00 O ATOM 1283 CB PRO A 95 50.590 -11.105 16.733 1.00 0.00 C ATOM 1284 CG PRO A 95 49.486 -10.951 15.745 1.00 0.00 C ATOM 1285 CD PRO A 95 50.080 -10.225 14.570 1.00 0.00 C ATOM 0 HA PRO A 95 52.747 -10.839 16.340 1.00 0.00 H new ATOM 0 HB2 PRO A 95 50.431 -11.973 17.372 1.00 0.00 H new ATOM 0 HB3 PRO A 95 50.660 -10.236 17.387 1.00 0.00 H new ATOM 0 HG2 PRO A 95 49.092 -11.922 15.445 1.00 0.00 H new ATOM 0 HG3 PRO A 95 48.656 -10.389 16.172 1.00 0.00 H new ATOM 0 HD2 PRO A 95 49.623 -10.538 13.631 1.00 0.00 H new ATOM 0 HD3 PRO A 95 49.938 -9.147 14.650 1.00 0.00 H new ATOM 1293 N PRO A 96 52.854 -13.341 16.667 1.00 0.00 N ATOM 1294 CA PRO A 96 53.237 -14.755 16.618 1.00 0.00 C ATOM 1295 C PRO A 96 52.036 -15.686 16.745 1.00 0.00 C ATOM 1296 O PRO A 96 51.311 -15.649 17.739 1.00 0.00 O ATOM 1297 CB PRO A 96 54.166 -14.913 17.825 1.00 0.00 C ATOM 1298 CG PRO A 96 53.749 -13.837 18.766 1.00 0.00 C ATOM 1299 CD PRO A 96 53.300 -12.687 17.908 1.00 0.00 C ATOM 0 HA PRO A 96 53.701 -15.019 15.668 1.00 0.00 H new ATOM 0 HB2 PRO A 96 54.061 -15.898 18.279 1.00 0.00 H new ATOM 0 HB3 PRO A 96 55.212 -14.804 17.537 1.00 0.00 H new ATOM 0 HG2 PRO A 96 52.942 -14.178 19.415 1.00 0.00 H new ATOM 0 HG3 PRO A 96 54.576 -13.542 19.412 1.00 0.00 H new ATOM 0 HD2 PRO A 96 52.493 -12.126 18.379 1.00 0.00 H new ATOM 0 HD3 PRO A 96 54.112 -11.983 17.722 1.00 0.00 H new ATOM 1307 N VAL A 97 51.831 -16.521 15.731 1.00 0.00 N ATOM 1308 CA VAL A 97 50.718 -17.463 15.730 1.00 0.00 C ATOM 1309 C VAL A 97 49.380 -16.733 15.688 1.00 0.00 C ATOM 1310 O VAL A 97 49.264 -15.601 16.159 1.00 0.00 O ATOM 1311 CB VAL A 97 50.753 -18.375 16.970 1.00 0.00 C ATOM 1312 CG1 VAL A 97 49.739 -19.500 16.835 1.00 0.00 C ATOM 1313 CG2 VAL A 97 52.153 -18.931 17.182 1.00 0.00 C ATOM 0 H VAL A 97 52.421 -16.564 14.900 1.00 0.00 H new ATOM 0 HA VAL A 97 50.823 -18.075 14.835 1.00 0.00 H new ATOM 0 HB VAL A 97 50.486 -17.781 17.844 1.00 0.00 H new ATOM 0 HG11 VAL A 97 49.779 -20.134 17.721 1.00 0.00 H new ATOM 0 HG12 VAL A 97 48.739 -19.078 16.735 1.00 0.00 H new ATOM 0 HG13 VAL A 97 49.972 -20.095 15.952 1.00 0.00 H new ATOM 0 HG21 VAL A 97 52.160 -19.573 18.063 1.00 0.00 H new ATOM 0 HG22 VAL A 97 52.451 -19.510 16.308 1.00 0.00 H new ATOM 0 HG23 VAL A 97 52.853 -18.108 17.328 1.00 0.00 H new ATOM 1323 N ASP A 98 48.373 -17.388 15.121 1.00 0.00 N ATOM 1324 CA ASP A 98 47.041 -16.802 15.019 1.00 0.00 C ATOM 1325 C ASP A 98 47.104 -15.417 14.381 1.00 0.00 C ATOM 1326 O ASP A 98 48.142 -15.009 13.862 1.00 0.00 O ATOM 1327 CB ASP A 98 46.393 -16.711 16.401 1.00 0.00 C ATOM 1328 CG ASP A 98 44.908 -17.018 16.365 1.00 0.00 C ATOM 1329 OD1 ASP A 98 44.340 -17.075 15.254 1.00 0.00 O ATOM 1330 OD2 ASP A 98 44.315 -17.204 17.448 1.00 0.00 O ATOM 0 H ASP A 98 48.453 -18.325 14.725 1.00 0.00 H new ATOM 0 HA ASP A 98 46.435 -17.448 14.384 1.00 0.00 H new ATOM 0 HB2 ASP A 98 46.889 -17.407 17.078 1.00 0.00 H new ATOM 0 HB3 ASP A 98 46.545 -15.710 16.805 1.00 0.00 H new ATOM 1335 N GLY A 99 45.986 -14.700 14.423 1.00 0.00 N ATOM 1336 CA GLY A 99 45.935 -13.370 13.845 1.00 0.00 C ATOM 1337 C GLY A 99 45.987 -13.394 12.330 1.00 0.00 C ATOM 1338 O GLY A 99 46.954 -12.929 11.728 1.00 0.00 O ATOM 0 H GLY A 99 45.114 -15.016 14.847 1.00 0.00 H new ATOM 0 HA2 GLY A 99 45.020 -12.872 14.166 1.00 0.00 H new ATOM 0 HA3 GLY A 99 46.769 -12.780 14.225 1.00 0.00 H new ATOM 1342 N GLY A 100 44.943 -13.938 11.712 1.00 0.00 N ATOM 1343 CA GLY A 100 44.895 -14.013 10.264 1.00 0.00 C ATOM 1344 C GLY A 100 43.492 -14.252 9.742 1.00 0.00 C ATOM 1345 O GLY A 100 42.994 -13.493 8.910 1.00 0.00 O ATOM 0 H GLY A 100 44.130 -14.328 12.189 1.00 0.00 H new ATOM 0 HA2 GLY A 100 45.283 -13.086 9.842 1.00 0.00 H new ATOM 0 HA3 GLY A 100 45.548 -14.816 9.923 1.00 0.00 H new ATOM 1349 N SER A 101 42.853 -15.310 10.230 1.00 0.00 N ATOM 1350 CA SER A 101 41.501 -15.650 9.803 1.00 0.00 C ATOM 1351 C SER A 101 41.454 -15.905 8.300 1.00 0.00 C ATOM 1352 O SER A 101 40.867 -15.142 7.533 1.00 0.00 O ATOM 1353 CB SER A 101 40.529 -14.528 10.172 1.00 0.00 C ATOM 1354 OG SER A 101 39.995 -14.722 11.470 1.00 0.00 O ATOM 0 H SER A 101 43.250 -15.947 10.921 1.00 0.00 H new ATOM 0 HA SER A 101 41.203 -16.563 10.318 1.00 0.00 H new ATOM 0 HB2 SER A 101 41.043 -13.568 10.127 1.00 0.00 H new ATOM 0 HB3 SER A 101 39.719 -14.491 9.444 1.00 0.00 H new ATOM 0 HG SER A 101 39.378 -13.991 11.683 1.00 0.00 H new ATOM 1360 N PRO A 102 42.087 -17.006 7.867 1.00 0.00 N ATOM 1361 CA PRO A 102 42.132 -17.389 6.453 1.00 0.00 C ATOM 1362 C PRO A 102 40.773 -17.847 5.933 1.00 0.00 C ATOM 1363 O PRO A 102 39.834 -18.073 6.696 1.00 0.00 O ATOM 1364 CB PRO A 102 43.131 -18.548 6.431 1.00 0.00 C ATOM 1365 CG PRO A 102 43.079 -19.119 7.806 1.00 0.00 C ATOM 1366 CD PRO A 102 42.807 -17.961 8.726 1.00 0.00 C ATOM 0 HA PRO A 102 42.414 -16.553 5.813 1.00 0.00 H new ATOM 0 HB2 PRO A 102 42.858 -19.292 5.683 1.00 0.00 H new ATOM 0 HB3 PRO A 102 44.134 -18.201 6.184 1.00 0.00 H new ATOM 0 HG2 PRO A 102 42.296 -19.873 7.886 1.00 0.00 H new ATOM 0 HG3 PRO A 102 44.019 -19.608 8.061 1.00 0.00 H new ATOM 0 HD2 PRO A 102 42.206 -18.262 9.584 1.00 0.00 H new ATOM 0 HD3 PRO A 102 43.730 -17.533 9.117 1.00 0.00 H new ATOM 1374 N PRO A 103 40.665 -17.989 4.604 1.00 0.00 N ATOM 1375 CA PRO A 103 41.776 -17.722 3.686 1.00 0.00 C ATOM 1376 C PRO A 103 42.113 -16.238 3.599 1.00 0.00 C ATOM 1377 O PRO A 103 41.364 -15.378 4.063 1.00 0.00 O ATOM 1378 CB PRO A 103 41.255 -18.233 2.340 1.00 0.00 C ATOM 1379 CG PRO A 103 39.772 -18.147 2.451 1.00 0.00 C ATOM 1380 CD PRO A 103 39.449 -18.419 3.894 1.00 0.00 C ATOM 0 HA PRO A 103 42.698 -18.203 4.012 1.00 0.00 H new ATOM 0 HB2 PRO A 103 41.626 -17.625 1.515 1.00 0.00 H new ATOM 0 HB3 PRO A 103 41.579 -19.257 2.153 1.00 0.00 H new ATOM 0 HG2 PRO A 103 39.414 -17.162 2.150 1.00 0.00 H new ATOM 0 HG3 PRO A 103 39.289 -18.875 1.799 1.00 0.00 H new ATOM 0 HD2 PRO A 103 38.573 -17.859 4.222 1.00 0.00 H new ATOM 0 HD3 PRO A 103 39.235 -19.474 4.066 1.00 0.00 H new ATOM 1388 N PRO A 104 43.267 -15.927 2.989 1.00 0.00 N ATOM 1389 CA PRO A 104 43.728 -14.545 2.826 1.00 0.00 C ATOM 1390 C PRO A 104 42.878 -13.764 1.830 1.00 0.00 C ATOM 1391 O PRO A 104 42.070 -14.326 1.091 1.00 0.00 O ATOM 1392 CB PRO A 104 45.156 -14.708 2.298 1.00 0.00 C ATOM 1393 CG PRO A 104 45.164 -16.039 1.631 1.00 0.00 C ATOM 1394 CD PRO A 104 44.209 -16.900 2.412 1.00 0.00 C ATOM 0 HA PRO A 104 43.664 -13.981 3.757 1.00 0.00 H new ATOM 0 HB2 PRO A 104 45.412 -13.913 1.598 1.00 0.00 H new ATOM 0 HB3 PRO A 104 45.885 -14.667 3.108 1.00 0.00 H new ATOM 0 HG2 PRO A 104 44.852 -15.956 0.590 1.00 0.00 H new ATOM 0 HG3 PRO A 104 46.166 -16.469 1.630 1.00 0.00 H new ATOM 0 HD2 PRO A 104 43.701 -17.620 1.771 1.00 0.00 H new ATOM 0 HD3 PRO A 104 44.723 -17.470 3.186 1.00 0.00 H new ATOM 1402 N PRO A 105 43.063 -12.435 1.807 1.00 0.00 N ATOM 1403 CA PRO A 105 42.322 -11.549 0.904 1.00 0.00 C ATOM 1404 C PRO A 105 42.733 -11.730 -0.553 1.00 0.00 C ATOM 1405 O PRO A 105 41.885 -11.864 -1.435 1.00 0.00 O ATOM 1406 CB PRO A 105 42.698 -10.148 1.396 1.00 0.00 C ATOM 1407 CG PRO A 105 44.024 -10.321 2.053 1.00 0.00 C ATOM 1408 CD PRO A 105 44.010 -11.697 2.659 1.00 0.00 C ATOM 0 HA PRO A 105 41.251 -11.750 0.923 1.00 0.00 H new ATOM 0 HB2 PRO A 105 42.755 -9.440 0.569 1.00 0.00 H new ATOM 0 HB3 PRO A 105 41.957 -9.762 2.096 1.00 0.00 H new ATOM 0 HG2 PRO A 105 44.834 -10.221 1.330 1.00 0.00 H new ATOM 0 HG3 PRO A 105 44.183 -9.560 2.817 1.00 0.00 H new ATOM 0 HD2 PRO A 105 45.001 -12.152 2.646 1.00 0.00 H new ATOM 0 HD3 PRO A 105 43.683 -11.675 3.698 1.00 0.00 H new ATOM 1416 N SER A 106 44.039 -11.734 -0.799 1.00 0.00 N ATOM 1417 CA SER A 106 44.562 -11.896 -2.150 1.00 0.00 C ATOM 1418 C SER A 106 45.004 -13.336 -2.393 1.00 0.00 C ATOM 1419 O SER A 106 44.975 -14.169 -1.486 1.00 0.00 O ATOM 1420 CB SER A 106 45.737 -10.944 -2.383 1.00 0.00 C ATOM 1421 OG SER A 106 46.882 -11.360 -1.659 1.00 0.00 O ATOM 0 H SER A 106 44.754 -11.627 -0.080 1.00 0.00 H new ATOM 0 HA SER A 106 43.764 -11.656 -2.853 1.00 0.00 H new ATOM 0 HB2 SER A 106 45.971 -10.903 -3.447 1.00 0.00 H new ATOM 0 HB3 SER A 106 45.457 -9.935 -2.079 1.00 0.00 H new ATOM 0 HG SER A 106 47.191 -10.627 -1.086 1.00 0.00 H new ATOM 1427 N THR A 107 45.414 -13.623 -3.625 1.00 0.00 N ATOM 1428 CA THR A 107 45.861 -14.962 -3.989 1.00 0.00 C ATOM 1429 C THR A 107 46.981 -15.436 -3.070 1.00 0.00 C ATOM 1430 O THR A 107 47.834 -14.650 -2.657 1.00 0.00 O ATOM 1431 CB THR A 107 46.354 -15.012 -5.447 1.00 0.00 C ATOM 1432 OG1 THR A 107 46.704 -13.697 -5.892 1.00 0.00 O ATOM 1433 CG2 THR A 107 45.284 -15.593 -6.360 1.00 0.00 C ATOM 0 H THR A 107 45.446 -12.946 -4.387 1.00 0.00 H new ATOM 0 HA THR A 107 45.001 -15.623 -3.881 1.00 0.00 H new ATOM 0 HB THR A 107 47.233 -15.655 -5.488 1.00 0.00 H new ATOM 0 HG1 THR A 107 47.018 -13.738 -6.819 1.00 0.00 H new ATOM 0 HG21 THR A 107 45.655 -15.618 -7.385 1.00 0.00 H new ATOM 0 HG22 THR A 107 45.040 -16.605 -6.037 1.00 0.00 H new ATOM 0 HG23 THR A 107 44.389 -14.972 -6.313 1.00 0.00 H new ATOM 1441 N HIS A 108 46.973 -16.727 -2.753 1.00 0.00 N ATOM 1442 CA HIS A 108 47.990 -17.307 -1.883 1.00 0.00 C ATOM 1443 C HIS A 108 48.312 -18.738 -2.302 1.00 0.00 C ATOM 1444 O HIS A 108 49.092 -18.963 -3.228 1.00 0.00 O ATOM 1445 CB HIS A 108 47.520 -17.283 -0.428 1.00 0.00 C ATOM 1446 CG HIS A 108 48.642 -17.218 0.563 1.00 0.00 C ATOM 1447 ND1 HIS A 108 48.891 -18.213 1.484 1.00 0.00 N ATOM 1448 CD2 HIS A 108 49.586 -16.270 0.771 1.00 0.00 C ATOM 1449 CE1 HIS A 108 49.937 -17.879 2.218 1.00 0.00 C ATOM 1450 NE2 HIS A 108 50.378 -16.704 1.805 1.00 0.00 N ATOM 0 H HIS A 108 46.274 -17.391 -3.085 1.00 0.00 H new ATOM 0 HA HIS A 108 48.896 -16.708 -1.975 1.00 0.00 H new ATOM 0 HB2 HIS A 108 46.866 -16.424 -0.280 1.00 0.00 H new ATOM 0 HB3 HIS A 108 46.925 -18.175 -0.232 1.00 0.00 H new ATOM 0 HD2 HIS A 108 49.696 -15.345 0.225 1.00 0.00 H new ATOM 0 HE1 HIS A 108 50.360 -18.466 3.020 1.00 0.00 H new ATOM 0 HE2 HIS A 108 51.177 -16.201 2.191 1.00 0.00 H new TER 1458 HIS A 108