USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 799 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 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -55:sc= 0.729 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0142) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.0622 F(o=-2.9,f=-0.062) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.112 F(o=-1.3,f=-0.11) USER MOD Single : A 21 GLN : amide:sc= -0.0401 X(o=-0.04,f=-0.021) USER MOD Single : A 25 HIS : no HE2:sc= 0.884 K(o=0.88,f=-2.7!) USER MOD Single : A 31 SER OG : rot 21:sc= 0.319 USER MOD Single : A 53 THR OG1 : rot 22:sc= 0.838 USER MOD Single : A 55 GLN : amide:sc= 0.551 K(o=0.55,f=-0.25) USER MOD Single : A 56 LYS NZ :NH3+ 163:sc= 0.949 (180deg=0.721) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 HIS : no HD1:sc= 0.243 K(o=0.24,f=-1.2) USER MOD Single : A 60 THR OG1 : rot -146:sc= 0.982 USER MOD Single : A 61 ASN : amide:sc= 0.466 X(o=0.47,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.115 X(o=-0.11,f=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -42:sc= 0.128 USER MOD Single : A 73 THR OG1 : rot -34:sc= 0.133 USER MOD Single : A 74 ASN : amide:sc= -0.0552 X(o=-0.055,f=-0.055) USER MOD Single : A 77 HIS : no HD1:sc= -0.0238 X(o=-0.024,f=-0.0083) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= -0.0231 (180deg=-0.0231) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.0461 K(o=-0.046,f=-0.95) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc=-0.00602 USER MOD Single : A 93 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0184) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.7) USER MOD Single : A 107 THR OG1 : rot -170:sc= 0.934 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -150:sc= -0.203 USER MOD Single : A 117 ASN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N PRO A 2 16.816 -7.334 15.352 1.00 0.00 N ATOM 28 CA PRO A 2 16.390 -8.544 14.632 1.00 0.00 C ATOM 29 C PRO A 2 17.234 -8.809 13.373 1.00 0.00 C ATOM 30 O PRO A 2 17.706 -9.927 13.158 1.00 0.00 O ATOM 31 CB PRO A 2 14.913 -8.318 14.293 1.00 0.00 C ATOM 32 CG PRO A 2 14.778 -6.798 14.208 1.00 0.00 C ATOM 33 CD PRO A 2 15.804 -6.283 15.222 1.00 0.00 C ATOM 0 HA PRO A 2 16.530 -9.434 15.246 1.00 0.00 H new ATOM 0 HB2 PRO A 2 14.643 -8.795 13.351 1.00 0.00 H new ATOM 0 HB3 PRO A 2 14.260 -8.734 15.060 1.00 0.00 H new ATOM 0 HG2 PRO A 2 14.991 -6.433 13.203 1.00 0.00 H new ATOM 0 HG3 PRO A 2 13.769 -6.471 14.459 1.00 0.00 H new ATOM 0 HD2 PRO A 2 16.253 -5.350 14.881 1.00 0.00 H new ATOM 0 HD3 PRO A 2 15.332 -6.077 16.183 1.00 0.00 H new ATOM 41 N CYS A 3 17.416 -7.778 12.543 1.00 0.00 N ATOM 42 CA CYS A 3 18.126 -7.792 11.260 1.00 0.00 C ATOM 43 C CYS A 3 18.844 -6.442 11.035 1.00 0.00 C ATOM 44 O CYS A 3 18.698 -5.516 11.838 1.00 0.00 O ATOM 45 CB CYS A 3 17.152 -8.120 10.102 1.00 0.00 C ATOM 46 SG CYS A 3 15.564 -8.882 10.563 1.00 0.00 S ATOM 0 H CYS A 3 17.048 -6.852 12.763 1.00 0.00 H new ATOM 0 HA CYS A 3 18.883 -8.576 11.282 1.00 0.00 H new ATOM 0 HB2 CYS A 3 16.943 -7.197 9.561 1.00 0.00 H new ATOM 0 HB3 CYS A 3 17.661 -8.788 9.407 1.00 0.00 H new ATOM 51 N LYS A 4 19.612 -6.319 9.946 1.00 0.00 N ATOM 52 CA LYS A 4 20.381 -5.112 9.588 1.00 0.00 C ATOM 53 C LYS A 4 19.727 -4.384 8.412 1.00 0.00 C ATOM 54 O LYS A 4 19.467 -5.000 7.378 1.00 0.00 O ATOM 55 CB LYS A 4 21.828 -5.504 9.238 1.00 0.00 C ATOM 56 CG LYS A 4 22.568 -6.339 10.302 1.00 0.00 C ATOM 57 CD LYS A 4 22.708 -5.680 11.683 1.00 0.00 C ATOM 58 CE LYS A 4 23.588 -4.424 11.632 1.00 0.00 C ATOM 59 NZ LYS A 4 23.791 -3.847 12.987 1.00 0.00 N ATOM 0 H LYS A 4 19.721 -7.074 9.269 1.00 0.00 H new ATOM 0 HA LYS A 4 20.391 -4.435 10.442 1.00 0.00 H new ATOM 0 HB2 LYS A 4 21.817 -6.066 8.304 1.00 0.00 H new ATOM 0 HB3 LYS A 4 22.398 -4.593 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 4 22.044 -7.287 10.423 1.00 0.00 H new ATOM 0 HG3 LYS A 4 23.565 -6.571 9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 4 21.720 -5.416 12.061 1.00 0.00 H new ATOM 0 HD3 LYS A 4 23.137 -6.395 12.385 1.00 0.00 H new ATOM 0 HE2 LYS A 4 24.554 -4.673 11.193 1.00 0.00 H new ATOM 0 HE3 LYS A 4 23.125 -3.680 10.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 24.390 -3.000 12.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 22.870 -3.588 13.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 24.255 -4.550 13.598 1.00 0.00 H new ATOM 73 N TYR A 5 19.489 -3.079 8.555 1.00 0.00 N ATOM 74 CA TYR A 5 18.820 -2.234 7.555 1.00 0.00 C ATOM 75 C TYR A 5 19.535 -0.888 7.342 1.00 0.00 C ATOM 76 O TYR A 5 20.267 -0.399 8.207 1.00 0.00 O ATOM 77 CB TYR A 5 17.364 -1.973 7.973 1.00 0.00 C ATOM 78 CG TYR A 5 16.503 -3.186 8.287 1.00 0.00 C ATOM 79 CD1 TYR A 5 16.466 -3.698 9.600 1.00 0.00 C ATOM 80 CD2 TYR A 5 15.680 -3.756 7.294 1.00 0.00 C ATOM 81 CE1 TYR A 5 15.586 -4.746 9.932 1.00 0.00 C ATOM 82 CE2 TYR A 5 14.784 -4.787 7.629 1.00 0.00 C ATOM 83 CZ TYR A 5 14.738 -5.289 8.945 1.00 0.00 C ATOM 84 OH TYR A 5 13.891 -6.308 9.249 1.00 0.00 O ATOM 0 H TYR A 5 19.762 -2.563 9.391 1.00 0.00 H new ATOM 0 HA TYR A 5 18.852 -2.779 6.611 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.375 -1.330 8.853 1.00 0.00 H new ATOM 0 HB3 TYR A 5 16.879 -1.412 7.174 1.00 0.00 H new ATOM 0 HD1 TYR A 5 17.117 -3.284 10.356 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.738 -3.401 6.276 1.00 0.00 H new ATOM 0 HE1 TYR A 5 15.561 -5.133 10.940 1.00 0.00 H new ATOM 0 HE2 TYR A 5 14.128 -5.196 6.874 1.00 0.00 H new ATOM 0 HH TYR A 5 14.400 -7.053 9.632 1.00 0.00 H new ATOM 94 N LYS A 6 19.283 -0.281 6.179 1.00 0.00 N ATOM 95 CA LYS A 6 19.807 1.011 5.708 1.00 0.00 C ATOM 96 C LYS A 6 18.903 2.173 6.140 1.00 0.00 C ATOM 97 O LYS A 6 17.701 1.995 6.349 1.00 0.00 O ATOM 98 CB LYS A 6 19.912 0.957 4.172 1.00 0.00 C ATOM 99 CG LYS A 6 20.858 -0.157 3.674 1.00 0.00 C ATOM 100 CD LYS A 6 20.449 -0.718 2.303 1.00 0.00 C ATOM 101 CE LYS A 6 20.583 0.282 1.145 1.00 0.00 C ATOM 102 NZ LYS A 6 22.003 0.518 0.769 1.00 0.00 N ATOM 0 H LYS A 6 18.663 -0.707 5.490 1.00 0.00 H new ATOM 0 HA LYS A 6 20.788 1.185 6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 6 18.919 0.799 3.750 1.00 0.00 H new ATOM 0 HB3 LYS A 6 20.266 1.920 3.803 1.00 0.00 H new ATOM 0 HG2 LYS A 6 21.873 0.235 3.613 1.00 0.00 H new ATOM 0 HG3 LYS A 6 20.873 -0.967 4.403 1.00 0.00 H new ATOM 0 HD2 LYS A 6 21.061 -1.593 2.084 1.00 0.00 H new ATOM 0 HD3 LYS A 6 19.415 -1.058 2.356 1.00 0.00 H new ATOM 0 HE2 LYS A 6 20.037 -0.092 0.279 1.00 0.00 H new ATOM 0 HE3 LYS A 6 20.122 1.228 1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 22.046 1.199 -0.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 22.520 0.900 1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 22.437 -0.379 0.473 1.00 0.00 H new ATOM 116 N LEU A 7 19.478 3.371 6.224 1.00 0.00 N ATOM 117 CA LEU A 7 18.826 4.601 6.694 1.00 0.00 C ATOM 118 C LEU A 7 18.239 5.391 5.504 1.00 0.00 C ATOM 119 O LEU A 7 18.983 6.003 4.734 1.00 0.00 O ATOM 120 CB LEU A 7 19.859 5.411 7.518 1.00 0.00 C ATOM 121 CG LEU A 7 19.302 6.389 8.572 1.00 0.00 C ATOM 122 CD1 LEU A 7 18.274 7.374 8.020 1.00 0.00 C ATOM 123 CD2 LEU A 7 18.677 5.651 9.758 1.00 0.00 C ATOM 0 H LEU A 7 20.451 3.522 5.957 1.00 0.00 H new ATOM 0 HA LEU A 7 17.980 4.373 7.342 1.00 0.00 H new ATOM 0 HB2 LEU A 7 20.516 4.705 8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.477 5.979 6.822 1.00 0.00 H new ATOM 0 HG LEU A 7 20.172 6.959 8.898 1.00 0.00 H new ATOM 0 HD11 LEU A 7 17.930 8.028 8.821 1.00 0.00 H new ATOM 0 HD12 LEU A 7 18.731 7.974 7.233 1.00 0.00 H new ATOM 0 HD13 LEU A 7 17.426 6.824 7.611 1.00 0.00 H new ATOM 0 HD21 LEU A 7 18.297 6.376 10.478 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.857 5.025 9.406 1.00 0.00 H new ATOM 0 HD23 LEU A 7 19.431 5.026 10.236 1.00 0.00 H new ATOM 135 N LYS A 8 16.907 5.359 5.332 1.00 0.00 N ATOM 136 CA LYS A 8 16.180 5.984 4.209 1.00 0.00 C ATOM 137 C LYS A 8 14.969 6.808 4.684 1.00 0.00 C ATOM 138 O LYS A 8 13.911 6.262 5.002 1.00 0.00 O ATOM 139 CB LYS A 8 15.812 4.881 3.197 1.00 0.00 C ATOM 140 CG LYS A 8 15.086 5.379 1.935 1.00 0.00 C ATOM 141 CD LYS A 8 15.958 6.256 1.026 1.00 0.00 C ATOM 142 CE LYS A 8 15.156 6.646 -0.222 1.00 0.00 C ATOM 143 NZ LYS A 8 15.961 7.473 -1.159 1.00 0.00 N ATOM 0 H LYS A 8 16.287 4.885 5.988 1.00 0.00 H new ATOM 0 HA LYS A 8 16.822 6.711 3.712 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.724 4.366 2.895 1.00 0.00 H new ATOM 0 HB3 LYS A 8 15.181 4.146 3.696 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.734 4.519 1.366 1.00 0.00 H new ATOM 0 HG3 LYS A 8 14.204 5.946 2.234 1.00 0.00 H new ATOM 0 HD2 LYS A 8 16.277 7.150 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.861 5.717 0.739 1.00 0.00 H new ATOM 0 HE2 LYS A 8 14.817 5.745 -0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 8 14.265 7.198 0.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 15.385 7.717 -1.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.264 8.345 -0.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.798 6.937 -1.464 1.00 0.00 H new ATOM 157 N LYS A 9 15.125 8.135 4.723 1.00 0.00 N ATOM 158 CA LYS A 9 14.079 9.114 5.085 1.00 0.00 C ATOM 159 C LYS A 9 13.711 9.992 3.885 1.00 0.00 C ATOM 160 O LYS A 9 14.598 10.466 3.170 1.00 0.00 O ATOM 161 CB LYS A 9 14.555 9.991 6.261 1.00 0.00 C ATOM 162 CG LYS A 9 14.944 9.221 7.534 1.00 0.00 C ATOM 163 CD LYS A 9 13.759 8.512 8.212 1.00 0.00 C ATOM 164 CE LYS A 9 14.196 7.687 9.434 1.00 0.00 C ATOM 165 NZ LYS A 9 14.755 8.530 10.527 1.00 0.00 N ATOM 0 H LYS A 9 16.014 8.580 4.496 1.00 0.00 H new ATOM 0 HA LYS A 9 13.189 8.564 5.390 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.414 10.577 5.933 1.00 0.00 H new ATOM 0 HB3 LYS A 9 13.764 10.698 6.510 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.704 8.481 7.283 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.396 9.914 8.244 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.023 9.254 8.521 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.269 7.858 7.491 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.341 7.127 9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.944 6.957 9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.002 7.928 11.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 15.607 9.019 10.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.047 9.233 10.820 1.00 0.00 H new ATOM 179 N SER A 10 12.415 10.233 3.703 1.00 0.00 N ATOM 180 CA SER A 10 11.833 11.062 2.633 1.00 0.00 C ATOM 181 C SER A 10 10.634 11.871 3.152 1.00 0.00 C ATOM 182 O SER A 10 10.126 11.620 4.248 1.00 0.00 O ATOM 183 CB SER A 10 11.397 10.167 1.461 1.00 0.00 C ATOM 184 OG SER A 10 12.520 9.575 0.827 1.00 0.00 O ATOM 0 H SER A 10 11.704 9.842 4.321 1.00 0.00 H new ATOM 0 HA SER A 10 12.593 11.764 2.290 1.00 0.00 H new ATOM 0 HB2 SER A 10 10.727 9.387 1.824 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.836 10.758 0.737 1.00 0.00 H new ATOM 0 HG SER A 10 12.217 9.009 0.086 1.00 0.00 H new ATOM 190 N THR A 11 10.139 12.832 2.366 1.00 0.00 N ATOM 191 CA THR A 11 8.934 13.609 2.712 1.00 0.00 C ATOM 192 C THR A 11 8.097 13.921 1.472 1.00 0.00 C ATOM 193 O THR A 11 8.475 14.768 0.663 1.00 0.00 O ATOM 194 CB THR A 11 9.256 14.906 3.475 1.00 0.00 C ATOM 195 OG1 THR A 11 10.226 14.714 4.487 1.00 0.00 O ATOM 196 CG2 THR A 11 7.982 15.395 4.159 1.00 0.00 C ATOM 0 H THR A 11 10.557 13.096 1.474 1.00 0.00 H new ATOM 0 HA THR A 11 8.352 12.976 3.381 1.00 0.00 H new ATOM 0 HB THR A 11 9.645 15.621 2.750 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.398 15.565 4.941 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.192 16.315 4.705 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.216 15.586 3.407 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.627 14.634 4.854 1.00 0.00 H new ATOM 204 N ASN A 12 6.986 13.201 1.291 1.00 0.00 N ATOM 205 CA ASN A 12 6.162 13.221 0.073 1.00 0.00 C ATOM 206 C ASN A 12 4.811 12.488 0.230 1.00 0.00 C ATOM 207 O ASN A 12 4.573 11.803 1.220 1.00 0.00 O ATOM 208 CB ASN A 12 6.980 12.618 -1.094 1.00 0.00 C ATOM 209 CG ASN A 12 7.700 11.319 -0.776 1.00 0.00 C ATOM 210 OD1 ASN A 12 7.041 10.339 -0.211 1.00 0.00 O flip ATOM 211 ND2 ASN A 12 8.884 11.162 -1.029 1.00 0.00 N flip ATOM 0 H ASN A 12 6.623 12.570 2.005 1.00 0.00 H new ATOM 0 HA ASN A 12 5.908 14.260 -0.135 1.00 0.00 H new ATOM 0 HB2 ASN A 12 6.309 12.446 -1.936 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.717 13.353 -1.418 1.00 0.00 H new ATOM 0 HD21 ASN A 12 9.415 11.913 -1.469 1.00 0.00 H new ATOM 0 HD22 ASN A 12 9.342 10.280 -0.800 1.00 0.00 H new ATOM 218 N LYS A 13 3.957 12.615 -0.790 1.00 0.00 N ATOM 219 CA LYS A 13 2.740 11.833 -1.085 1.00 0.00 C ATOM 220 C LYS A 13 2.975 10.320 -1.211 1.00 0.00 C ATOM 221 O LYS A 13 4.113 9.851 -1.282 1.00 0.00 O ATOM 222 CB LYS A 13 2.060 12.431 -2.342 1.00 0.00 C ATOM 223 CG LYS A 13 2.975 12.771 -3.543 1.00 0.00 C ATOM 224 CD LYS A 13 2.522 14.037 -4.296 1.00 0.00 C ATOM 225 CE LYS A 13 3.695 14.877 -4.828 1.00 0.00 C ATOM 226 NZ LYS A 13 4.396 14.236 -5.974 1.00 0.00 N ATOM 0 H LYS A 13 4.109 13.333 -1.499 1.00 0.00 H new ATOM 0 HA LYS A 13 2.074 11.919 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.301 11.727 -2.683 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.540 13.341 -2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.996 12.910 -3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.989 11.928 -4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.883 13.747 -5.130 1.00 0.00 H new ATOM 0 HD3 LYS A 13 1.916 14.651 -3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.324 15.854 -5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.408 15.047 -4.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.176 14.847 -6.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.776 13.315 -5.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.726 14.098 -6.757 1.00 0.00 H new ATOM 240 N PHE A 14 1.886 9.561 -1.276 1.00 0.00 N ATOM 241 CA PHE A 14 1.837 8.099 -1.412 1.00 0.00 C ATOM 242 C PHE A 14 0.635 7.655 -2.259 1.00 0.00 C ATOM 243 O PHE A 14 -0.402 8.323 -2.292 1.00 0.00 O ATOM 244 CB PHE A 14 1.796 7.441 -0.017 1.00 0.00 C ATOM 245 CG PHE A 14 0.766 8.020 0.944 1.00 0.00 C ATOM 246 CD1 PHE A 14 -0.603 7.707 0.815 1.00 0.00 C ATOM 247 CD2 PHE A 14 1.181 8.901 1.960 1.00 0.00 C ATOM 248 CE1 PHE A 14 -1.553 8.321 1.654 1.00 0.00 C ATOM 249 CE2 PHE A 14 0.232 9.494 2.810 1.00 0.00 C ATOM 250 CZ PHE A 14 -1.137 9.243 2.630 1.00 0.00 C ATOM 0 H PHE A 14 0.953 9.970 -1.233 1.00 0.00 H new ATOM 0 HA PHE A 14 2.739 7.774 -1.930 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.596 6.377 -0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 14 2.783 7.529 0.437 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.924 6.994 0.070 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.231 9.122 2.087 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.601 8.083 1.547 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.558 10.147 3.606 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.867 9.756 3.238 1.00 0.00 H new ATOM 260 N CYS A 15 0.763 6.526 -2.959 1.00 0.00 N ATOM 261 CA CYS A 15 -0.320 5.942 -3.758 1.00 0.00 C ATOM 262 C CYS A 15 -0.824 4.614 -3.179 1.00 0.00 C ATOM 263 O CYS A 15 -0.063 3.813 -2.628 1.00 0.00 O ATOM 264 CB CYS A 15 0.085 5.786 -5.229 1.00 0.00 C ATOM 265 SG CYS A 15 -1.362 5.879 -6.325 1.00 0.00 S ATOM 0 H CYS A 15 1.628 5.986 -2.989 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.152 6.645 -3.712 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.798 6.566 -5.497 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.590 4.830 -5.370 1.00 0.00 H new ATOM 270 N VAL A 16 -2.126 4.384 -3.345 1.00 0.00 N ATOM 271 CA VAL A 16 -2.906 3.266 -2.766 1.00 0.00 C ATOM 272 C VAL A 16 -4.077 2.851 -3.684 1.00 0.00 C ATOM 273 O VAL A 16 -4.249 3.425 -4.759 1.00 0.00 O ATOM 274 CB VAL A 16 -3.428 3.631 -1.355 1.00 0.00 C ATOM 275 CG1 VAL A 16 -2.344 3.734 -0.284 1.00 0.00 C ATOM 276 CG2 VAL A 16 -4.230 4.934 -1.335 1.00 0.00 C ATOM 0 H VAL A 16 -2.705 5.000 -3.916 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.234 2.412 -2.679 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.074 2.787 -1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.800 3.993 0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.830 2.777 -0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -1.627 4.505 -0.565 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.569 5.137 -0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.600 5.755 -1.678 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.093 4.840 -1.994 1.00 0.00 H new ATOM 286 N THR A 17 -4.910 1.885 -3.269 1.00 0.00 N ATOM 287 CA THR A 17 -6.109 1.419 -4.008 1.00 0.00 C ATOM 288 C THR A 17 -7.364 1.425 -3.125 1.00 0.00 C ATOM 289 O THR A 17 -7.417 0.695 -2.135 1.00 0.00 O ATOM 290 CB THR A 17 -5.898 0.000 -4.570 1.00 0.00 C ATOM 291 OG1 THR A 17 -4.619 -0.146 -5.153 1.00 0.00 O ATOM 292 CG2 THR A 17 -6.916 -0.369 -5.642 1.00 0.00 C ATOM 0 H THR A 17 -4.771 1.389 -2.389 1.00 0.00 H new ATOM 0 HA THR A 17 -6.257 2.119 -4.831 1.00 0.00 H new ATOM 0 HB THR A 17 -6.013 -0.659 -3.709 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.519 -1.058 -5.497 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.717 -1.379 -6.000 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.920 -0.324 -5.221 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.840 0.332 -6.473 1.00 0.00 H new ATOM 300 N CYS A 18 -8.371 2.246 -3.458 1.00 0.00 N ATOM 301 CA CYS A 18 -9.652 2.308 -2.745 1.00 0.00 C ATOM 302 C CYS A 18 -10.617 1.232 -3.237 1.00 0.00 C ATOM 303 O CYS A 18 -10.872 1.117 -4.435 1.00 0.00 O ATOM 304 CB CYS A 18 -10.306 3.675 -2.937 1.00 0.00 C ATOM 305 SG CYS A 18 -11.694 4.022 -1.841 1.00 0.00 S ATOM 0 H CYS A 18 -8.316 2.895 -4.243 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.440 2.141 -1.689 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.549 4.446 -2.793 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.650 3.754 -3.968 1.00 0.00 H new ATOM 310 N GLU A 19 -11.200 0.489 -2.305 1.00 0.00 N ATOM 311 CA GLU A 19 -12.230 -0.513 -2.558 1.00 0.00 C ATOM 312 C GLU A 19 -13.325 -0.382 -1.493 1.00 0.00 C ATOM 313 O GLU A 19 -13.076 -0.581 -0.305 1.00 0.00 O ATOM 314 CB GLU A 19 -11.608 -1.918 -2.582 1.00 0.00 C ATOM 315 CG GLU A 19 -12.561 -2.924 -3.239 1.00 0.00 C ATOM 316 CD GLU A 19 -12.072 -4.374 -3.065 1.00 0.00 C ATOM 317 OE1 GLU A 19 -11.271 -4.858 -3.900 1.00 0.00 O ATOM 318 OE2 GLU A 19 -12.516 -5.048 -2.104 1.00 0.00 O ATOM 0 H GLU A 19 -10.961 0.570 -1.317 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.684 -0.350 -3.535 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.665 -1.894 -3.128 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.380 -2.237 -1.565 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.555 -2.821 -2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -12.653 -2.697 -4.301 1.00 0.00 H new ATOM 325 N ASN A 20 -14.534 -0.010 -1.922 1.00 0.00 N ATOM 326 CA ASN A 20 -15.671 0.322 -1.049 1.00 0.00 C ATOM 327 C ASN A 20 -15.345 1.472 -0.062 1.00 0.00 C ATOM 328 O ASN A 20 -15.493 1.348 1.155 1.00 0.00 O ATOM 329 CB ASN A 20 -16.240 -0.952 -0.380 1.00 0.00 C ATOM 330 CG ASN A 20 -16.950 -1.894 -1.339 1.00 0.00 C ATOM 331 OD1 ASN A 20 -16.238 -2.569 -2.212 1.00 0.00 O flip ATOM 332 ND2 ASN A 20 -18.164 -2.037 -1.312 1.00 0.00 N flip ATOM 0 H ASN A 20 -14.759 0.072 -2.914 1.00 0.00 H new ATOM 0 HA ASN A 20 -16.473 0.722 -1.669 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -15.425 -1.490 0.104 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -16.937 -0.657 0.405 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -18.724 -1.516 -0.637 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -18.617 -2.677 -1.965 1.00 0.00 H new ATOM 339 N GLN A 21 -14.946 2.625 -0.618 1.00 0.00 N ATOM 340 CA GLN A 21 -14.767 3.927 0.055 1.00 0.00 C ATOM 341 C GLN A 21 -13.655 3.953 1.127 1.00 0.00 C ATOM 342 O GLN A 21 -13.704 4.749 2.069 1.00 0.00 O ATOM 343 CB GLN A 21 -16.107 4.460 0.603 1.00 0.00 C ATOM 344 CG GLN A 21 -17.261 4.465 -0.411 1.00 0.00 C ATOM 345 CD GLN A 21 -18.212 3.287 -0.233 1.00 0.00 C ATOM 346 OE1 GLN A 21 -18.798 3.056 0.817 1.00 0.00 O ATOM 347 NE2 GLN A 21 -18.435 2.512 -1.267 1.00 0.00 N ATOM 0 H GLN A 21 -14.725 2.680 -1.612 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.414 4.606 -0.721 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -16.399 3.855 1.461 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.956 5.477 0.966 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -17.821 5.395 -0.313 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -16.851 4.445 -1.421 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -17.956 2.689 -2.150 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -19.088 1.732 -1.188 1.00 0.00 H new ATOM 356 N ALA A 22 -12.654 3.079 0.998 1.00 0.00 N ATOM 357 CA ALA A 22 -11.560 2.914 1.938 1.00 0.00 C ATOM 358 C ALA A 22 -10.371 2.227 1.231 1.00 0.00 C ATOM 359 O ALA A 22 -10.572 1.267 0.480 1.00 0.00 O ATOM 360 CB ALA A 22 -12.078 2.085 3.116 1.00 0.00 C ATOM 0 H ALA A 22 -12.587 2.445 0.202 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.205 3.876 2.308 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.277 1.943 3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.909 2.607 3.590 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.417 1.114 2.756 1.00 0.00 H new ATOM 366 N PRO A 23 -9.135 2.716 1.409 1.00 0.00 N ATOM 367 CA PRO A 23 -7.940 2.117 0.824 1.00 0.00 C ATOM 368 C PRO A 23 -7.493 0.829 1.537 1.00 0.00 C ATOM 369 O PRO A 23 -6.978 0.855 2.653 1.00 0.00 O ATOM 370 CB PRO A 23 -6.905 3.235 0.831 1.00 0.00 C ATOM 371 CG PRO A 23 -7.290 4.063 2.051 1.00 0.00 C ATOM 372 CD PRO A 23 -8.810 3.978 2.054 1.00 0.00 C ATOM 0 HA PRO A 23 -8.116 1.758 -0.190 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.891 2.844 0.914 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.945 3.825 -0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.861 3.657 2.967 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.943 5.093 1.966 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -9.202 4.010 3.071 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.250 4.817 1.516 1.00 0.00 H new ATOM 380 N VAL A 24 -7.679 -0.312 0.867 1.00 0.00 N ATOM 381 CA VAL A 24 -7.308 -1.666 1.320 1.00 0.00 C ATOM 382 C VAL A 24 -6.083 -2.222 0.576 1.00 0.00 C ATOM 383 O VAL A 24 -5.863 -3.428 0.588 1.00 0.00 O ATOM 384 CB VAL A 24 -8.510 -2.645 1.268 1.00 0.00 C ATOM 385 CG1 VAL A 24 -9.775 -2.038 1.885 1.00 0.00 C ATOM 386 CG2 VAL A 24 -8.893 -3.105 -0.142 1.00 0.00 C ATOM 0 H VAL A 24 -8.115 -0.322 -0.055 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.017 -1.571 2.366 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.156 -3.503 1.840 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -10.590 -2.759 1.826 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -9.586 -1.787 2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.049 -1.135 1.339 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -9.742 -3.786 -0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.163 -2.239 -0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -8.047 -3.617 -0.600 1.00 0.00 H new ATOM 396 N HIS A 25 -5.283 -1.387 -0.108 1.00 0.00 N ATOM 397 CA HIS A 25 -4.051 -1.836 -0.783 1.00 0.00 C ATOM 398 C HIS A 25 -3.038 -0.705 -0.896 1.00 0.00 C ATOM 399 O HIS A 25 -3.419 0.430 -1.183 1.00 0.00 O ATOM 400 CB HIS A 25 -4.379 -2.349 -2.196 1.00 0.00 C ATOM 401 CG HIS A 25 -3.513 -3.492 -2.660 1.00 0.00 C ATOM 402 ND1 HIS A 25 -2.308 -3.398 -3.333 1.00 0.00 N ATOM 403 CD2 HIS A 25 -3.844 -4.812 -2.563 1.00 0.00 C ATOM 404 CE1 HIS A 25 -1.928 -4.652 -3.655 1.00 0.00 C ATOM 405 NE2 HIS A 25 -2.846 -5.529 -3.197 1.00 0.00 N ATOM 0 H HIS A 25 -5.469 -0.389 -0.209 1.00 0.00 H new ATOM 0 HA HIS A 25 -3.621 -2.637 -0.182 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -5.422 -2.666 -2.221 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -4.279 -1.524 -2.901 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -1.801 -2.539 -3.546 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -4.720 -5.220 -2.082 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.030 -4.913 -4.195 1.00 0.00 H new ATOM 414 N PHE A 26 -1.755 -1.017 -0.749 1.00 0.00 N ATOM 415 CA PHE A 26 -0.667 -0.087 -1.062 1.00 0.00 C ATOM 416 C PHE A 26 -0.329 -0.142 -2.560 1.00 0.00 C ATOM 417 O PHE A 26 -0.552 -1.169 -3.209 1.00 0.00 O ATOM 418 CB PHE A 26 0.544 -0.449 -0.181 1.00 0.00 C ATOM 419 CG PHE A 26 1.731 0.497 -0.243 1.00 0.00 C ATOM 420 CD1 PHE A 26 1.550 1.891 -0.134 1.00 0.00 C ATOM 421 CD2 PHE A 26 3.036 -0.024 -0.358 1.00 0.00 C ATOM 422 CE1 PHE A 26 2.657 2.755 -0.174 1.00 0.00 C ATOM 423 CE2 PHE A 26 4.143 0.840 -0.394 1.00 0.00 C ATOM 424 CZ PHE A 26 3.952 2.228 -0.306 1.00 0.00 C ATOM 0 H PHE A 26 -1.435 -1.924 -0.409 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.965 0.939 -0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.208 -0.508 0.854 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.886 -1.445 -0.463 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.556 2.296 -0.019 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.185 -1.092 -0.419 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.512 3.823 -0.103 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.140 0.437 -0.489 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.803 2.892 -0.340 1.00 0.00 H new ATOM 434 N VAL A 27 0.226 0.944 -3.106 1.00 0.00 N ATOM 435 CA VAL A 27 0.843 0.959 -4.448 1.00 0.00 C ATOM 436 C VAL A 27 2.296 1.448 -4.416 1.00 0.00 C ATOM 437 O VAL A 27 3.177 0.748 -4.919 1.00 0.00 O ATOM 438 CB VAL A 27 0.015 1.765 -5.469 1.00 0.00 C ATOM 439 CG1 VAL A 27 0.678 1.742 -6.851 1.00 0.00 C ATOM 440 CG2 VAL A 27 -1.406 1.228 -5.640 1.00 0.00 C ATOM 0 H VAL A 27 0.263 1.846 -2.631 1.00 0.00 H new ATOM 0 HA VAL A 27 0.852 -0.079 -4.782 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.030 2.778 -5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.075 2.317 -7.553 1.00 0.00 H new ATOM 0 HG12 VAL A 27 1.674 2.180 -6.784 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.757 0.712 -7.199 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.939 1.836 -6.371 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.365 0.196 -5.987 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.928 1.269 -4.684 1.00 0.00 H new ATOM 450 N GLY A 28 2.568 2.642 -3.874 1.00 0.00 N ATOM 451 CA GLY A 28 3.891 3.265 -3.990 1.00 0.00 C ATOM 452 C GLY A 28 4.034 4.620 -3.293 1.00 0.00 C ATOM 453 O GLY A 28 3.156 5.063 -2.553 1.00 0.00 O ATOM 0 H GLY A 28 1.889 3.195 -3.351 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.634 2.582 -3.579 1.00 0.00 H new ATOM 0 HA3 GLY A 28 4.125 3.391 -5.047 1.00 0.00 H new ATOM 457 N VAL A 29 5.175 5.272 -3.521 1.00 0.00 N ATOM 458 CA VAL A 29 5.642 6.470 -2.802 1.00 0.00 C ATOM 459 C VAL A 29 5.996 7.588 -3.787 1.00 0.00 C ATOM 460 O VAL A 29 6.818 7.389 -4.683 1.00 0.00 O ATOM 461 CB VAL A 29 6.857 6.124 -1.916 1.00 0.00 C ATOM 462 CG1 VAL A 29 7.298 7.339 -1.105 1.00 0.00 C ATOM 463 CG2 VAL A 29 6.540 5.000 -0.923 1.00 0.00 C ATOM 0 H VAL A 29 5.831 4.971 -4.242 1.00 0.00 H new ATOM 0 HA VAL A 29 4.835 6.824 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 29 7.647 5.802 -2.594 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.156 7.072 -0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.575 8.147 -1.782 1.00 0.00 H new ATOM 0 HG13 VAL A 29 6.478 7.667 -0.465 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.423 4.788 -0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.721 5.309 -0.273 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.250 4.103 -1.470 1.00 0.00 H new ATOM 473 N GLY A 30 5.365 8.760 -3.642 1.00 0.00 N ATOM 474 CA GLY A 30 5.592 9.950 -4.479 1.00 0.00 C ATOM 475 C GLY A 30 5.172 9.826 -5.956 1.00 0.00 C ATOM 476 O GLY A 30 5.361 10.766 -6.728 1.00 0.00 O ATOM 0 H GLY A 30 4.662 8.913 -2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.053 10.788 -4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.653 10.198 -4.443 1.00 0.00 H new ATOM 480 N SER A 31 4.624 8.674 -6.348 1.00 0.00 N ATOM 481 CA SER A 31 4.239 8.222 -7.693 1.00 0.00 C ATOM 482 C SER A 31 3.343 6.979 -7.565 1.00 0.00 C ATOM 483 O SER A 31 3.272 6.371 -6.493 1.00 0.00 O ATOM 484 CB SER A 31 5.489 7.855 -8.512 1.00 0.00 C ATOM 485 OG SER A 31 6.153 9.021 -8.970 1.00 0.00 O ATOM 0 H SER A 31 4.415 7.954 -5.657 1.00 0.00 H new ATOM 0 HA SER A 31 3.705 9.026 -8.199 1.00 0.00 H new ATOM 0 HB2 SER A 31 6.168 7.261 -7.900 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.203 7.237 -9.363 1.00 0.00 H new ATOM 0 HG SER A 31 5.890 9.786 -8.417 1.00 0.00 H new ATOM 491 N CYS A 32 2.670 6.581 -8.648 1.00 0.00 N ATOM 492 CA CYS A 32 1.765 5.429 -8.684 1.00 0.00 C ATOM 493 C CYS A 32 2.174 4.434 -9.787 1.00 0.00 C ATOM 494 O CYS A 32 2.104 4.755 -10.977 1.00 0.00 O ATOM 495 CB CYS A 32 0.324 5.930 -8.838 1.00 0.00 C ATOM 496 SG CYS A 32 -0.878 4.859 -8.018 1.00 0.00 S ATOM 0 H CYS A 32 2.741 7.062 -9.545 1.00 0.00 H new ATOM 0 HA CYS A 32 1.832 4.876 -7.747 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.248 6.937 -8.427 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.079 5.999 -9.898 1.00 0.00 H new ATOM 707 N ASP A 50 -8.606 -5.767 5.112 1.00 0.00 N ATOM 708 CA ASP A 50 -9.399 -4.543 5.038 1.00 0.00 C ATOM 709 C ASP A 50 -8.525 -3.309 5.353 1.00 0.00 C ATOM 710 O ASP A 50 -7.384 -3.409 5.815 1.00 0.00 O ATOM 711 CB ASP A 50 -10.581 -4.663 6.030 1.00 0.00 C ATOM 712 CG ASP A 50 -11.859 -3.945 5.561 1.00 0.00 C ATOM 713 OD1 ASP A 50 -11.762 -2.844 4.972 1.00 0.00 O ATOM 714 OD2 ASP A 50 -12.970 -4.476 5.801 1.00 0.00 O ATOM 0 HA ASP A 50 -9.788 -4.411 4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -10.805 -5.718 6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.278 -4.254 6.994 1.00 0.00 H new ATOM 719 N TRP A 51 -9.090 -2.125 5.161 1.00 0.00 N ATOM 720 CA TRP A 51 -8.542 -0.820 5.541 1.00 0.00 C ATOM 721 C TRP A 51 -8.231 -0.733 7.046 1.00 0.00 C ATOM 722 O TRP A 51 -7.230 -0.138 7.454 1.00 0.00 O ATOM 723 CB TRP A 51 -9.533 0.267 5.097 1.00 0.00 C ATOM 724 CG TRP A 51 -9.630 1.464 5.989 1.00 0.00 C ATOM 725 CD1 TRP A 51 -10.631 1.710 6.864 1.00 0.00 C ATOM 726 CD2 TRP A 51 -8.682 2.561 6.135 1.00 0.00 C ATOM 727 NE1 TRP A 51 -10.374 2.893 7.530 1.00 0.00 N ATOM 728 CE2 TRP A 51 -9.195 3.470 7.105 1.00 0.00 C ATOM 729 CE3 TRP A 51 -7.431 2.871 5.564 1.00 0.00 C ATOM 730 CZ2 TRP A 51 -8.526 4.652 7.455 1.00 0.00 C ATOM 731 CZ3 TRP A 51 -6.745 4.048 5.913 1.00 0.00 C ATOM 732 CH2 TRP A 51 -7.295 4.945 6.844 1.00 0.00 C ATOM 0 H TRP A 51 -10.000 -2.039 4.708 1.00 0.00 H new ATOM 0 HA TRP A 51 -7.586 -0.672 5.038 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -9.251 0.603 4.099 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -10.523 -0.182 5.015 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -11.495 1.081 7.018 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -10.981 3.291 8.247 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -6.992 2.193 4.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.951 5.327 8.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.788 4.264 5.462 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.773 5.858 7.090 1.00 0.00 H new ATOM 743 N LEU A 52 -9.060 -1.365 7.884 1.00 0.00 N ATOM 744 CA LEU A 52 -8.902 -1.419 9.343 1.00 0.00 C ATOM 745 C LEU A 52 -7.568 -2.071 9.768 1.00 0.00 C ATOM 746 O LEU A 52 -6.972 -1.669 10.771 1.00 0.00 O ATOM 747 CB LEU A 52 -10.132 -2.148 9.932 1.00 0.00 C ATOM 748 CG LEU A 52 -10.796 -1.494 11.160 1.00 0.00 C ATOM 749 CD1 LEU A 52 -9.833 -1.303 12.329 1.00 0.00 C ATOM 750 CD2 LEU A 52 -11.437 -0.146 10.824 1.00 0.00 C ATOM 0 H LEU A 52 -9.884 -1.868 7.557 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.856 -0.406 9.742 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.882 -2.240 9.147 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.831 -3.159 10.205 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.572 -2.197 11.462 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.360 -0.838 13.162 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.443 -2.272 12.641 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.007 -0.662 12.019 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -11.891 0.275 11.721 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -10.674 0.536 10.450 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.203 -0.287 10.062 1.00 0.00 H new ATOM 762 N THR A 53 -7.071 -3.032 8.979 1.00 0.00 N ATOM 763 CA THR A 53 -5.749 -3.672 9.128 1.00 0.00 C ATOM 764 C THR A 53 -4.637 -2.996 8.315 1.00 0.00 C ATOM 765 O THR A 53 -3.487 -2.997 8.751 1.00 0.00 O ATOM 766 CB THR A 53 -5.812 -5.167 8.763 1.00 0.00 C ATOM 767 OG1 THR A 53 -6.554 -5.404 7.582 1.00 0.00 O ATOM 768 CG2 THR A 53 -6.497 -5.970 9.867 1.00 0.00 C ATOM 0 H THR A 53 -7.596 -3.403 8.187 1.00 0.00 H new ATOM 0 HA THR A 53 -5.492 -3.555 10.181 1.00 0.00 H new ATOM 0 HB THR A 53 -4.776 -5.475 8.624 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.592 -4.583 7.049 1.00 0.00 H new ATOM 0 HG21 THR A 53 -6.529 -7.022 9.585 1.00 0.00 H new ATOM 0 HG22 THR A 53 -5.939 -5.860 10.797 1.00 0.00 H new ATOM 0 HG23 THR A 53 -7.513 -5.601 10.008 1.00 0.00 H new ATOM 776 N PHE A 54 -4.958 -2.359 7.179 1.00 0.00 N ATOM 777 CA PHE A 54 -4.020 -1.607 6.327 1.00 0.00 C ATOM 778 C PHE A 54 -3.224 -0.559 7.112 1.00 0.00 C ATOM 779 O PHE A 54 -2.001 -0.479 6.986 1.00 0.00 O ATOM 780 CB PHE A 54 -4.810 -0.952 5.181 1.00 0.00 C ATOM 781 CG PHE A 54 -4.010 -0.019 4.300 1.00 0.00 C ATOM 782 CD1 PHE A 54 -3.274 -0.528 3.217 1.00 0.00 C ATOM 783 CD2 PHE A 54 -3.999 1.363 4.571 1.00 0.00 C ATOM 784 CE1 PHE A 54 -2.472 0.339 2.455 1.00 0.00 C ATOM 785 CE2 PHE A 54 -3.224 2.230 3.784 1.00 0.00 C ATOM 786 CZ PHE A 54 -2.435 1.713 2.745 1.00 0.00 C ATOM 0 H PHE A 54 -5.911 -2.352 6.814 1.00 0.00 H new ATOM 0 HA PHE A 54 -3.286 -2.305 5.925 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -5.236 -1.739 4.558 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -5.645 -0.396 5.608 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.324 -1.579 2.972 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -4.588 1.757 5.386 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.880 -0.054 1.641 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.235 3.292 3.978 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.800 2.370 2.169 1.00 0.00 H new ATOM 796 N GLN A 55 -3.915 0.202 7.963 1.00 0.00 N ATOM 797 CA GLN A 55 -3.316 1.184 8.869 1.00 0.00 C ATOM 798 C GLN A 55 -2.252 0.529 9.755 1.00 0.00 C ATOM 799 O GLN A 55 -1.076 0.879 9.669 1.00 0.00 O ATOM 800 CB GLN A 55 -4.414 1.826 9.724 1.00 0.00 C ATOM 801 CG GLN A 55 -5.350 2.705 8.888 1.00 0.00 C ATOM 802 CD GLN A 55 -6.688 2.859 9.594 1.00 0.00 C ATOM 803 OE1 GLN A 55 -6.911 3.742 10.411 1.00 0.00 O ATOM 804 NE2 GLN A 55 -7.608 1.961 9.332 1.00 0.00 N ATOM 0 H GLN A 55 -4.931 0.151 8.043 1.00 0.00 H new ATOM 0 HA GLN A 55 -2.825 1.958 8.279 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -4.993 1.045 10.217 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.957 2.428 10.510 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.898 3.684 8.730 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.498 2.260 7.904 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -7.423 1.225 8.651 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -8.509 1.999 9.809 1.00 0.00 H new ATOM 813 N LYS A 56 -2.647 -0.462 10.566 1.00 0.00 N ATOM 814 CA LYS A 56 -1.743 -1.149 11.518 1.00 0.00 C ATOM 815 C LYS A 56 -0.520 -1.805 10.854 1.00 0.00 C ATOM 816 O LYS A 56 0.509 -1.971 11.509 1.00 0.00 O ATOM 817 CB LYS A 56 -2.526 -2.195 12.324 1.00 0.00 C ATOM 818 CG LYS A 56 -3.637 -1.565 13.183 1.00 0.00 C ATOM 819 CD LYS A 56 -4.767 -2.577 13.399 1.00 0.00 C ATOM 820 CE LYS A 56 -5.923 -2.019 14.240 1.00 0.00 C ATOM 821 NZ LYS A 56 -6.630 -0.909 13.548 1.00 0.00 N ATOM 0 H LYS A 56 -3.604 -0.816 10.586 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.352 -0.375 12.178 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -2.967 -2.921 11.640 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.838 -2.742 12.969 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -3.231 -1.250 14.144 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -4.025 -0.672 12.693 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.151 -2.895 12.430 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.364 -3.463 13.889 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.631 -2.819 14.459 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.537 -1.663 15.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -7.555 -0.754 13.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.062 -0.040 13.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.767 -1.156 12.547 1.00 0.00 H new ATOM 835 N LYS A 57 -0.614 -2.162 9.566 1.00 0.00 N ATOM 836 CA LYS A 57 0.467 -2.784 8.778 1.00 0.00 C ATOM 837 C LYS A 57 1.650 -1.842 8.501 1.00 0.00 C ATOM 838 O LYS A 57 2.795 -2.203 8.770 1.00 0.00 O ATOM 839 CB LYS A 57 -0.112 -3.380 7.472 1.00 0.00 C ATOM 840 CG LYS A 57 0.071 -4.905 7.413 1.00 0.00 C ATOM 841 CD LYS A 57 1.536 -5.302 7.145 1.00 0.00 C ATOM 842 CE LYS A 57 1.894 -6.701 7.671 1.00 0.00 C ATOM 843 NZ LYS A 57 1.178 -7.789 6.959 1.00 0.00 N ATOM 0 H LYS A 57 -1.467 -2.023 9.025 1.00 0.00 H new ATOM 0 HA LYS A 57 0.885 -3.588 9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.172 -3.138 7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 57 0.379 -2.921 6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.258 -5.346 8.354 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.565 -5.316 6.629 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.724 -5.266 6.072 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.195 -4.568 7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 57 2.968 -6.856 7.573 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.660 -6.754 8.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.459 -8.708 7.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.152 -7.662 7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 1.420 -7.760 5.948 1.00 0.00 H new ATOM 857 N HIS A 58 1.387 -0.665 7.924 1.00 0.00 N ATOM 858 CA HIS A 58 2.414 0.250 7.381 1.00 0.00 C ATOM 859 C HIS A 58 2.159 1.752 7.604 1.00 0.00 C ATOM 860 O HIS A 58 2.820 2.601 7.006 1.00 0.00 O ATOM 861 CB HIS A 58 2.726 -0.103 5.911 1.00 0.00 C ATOM 862 CG HIS A 58 1.700 -0.872 5.109 1.00 0.00 C ATOM 863 ND1 HIS A 58 1.977 -1.978 4.324 1.00 0.00 N ATOM 864 CD2 HIS A 58 0.374 -0.570 4.962 1.00 0.00 C ATOM 865 CE1 HIS A 58 0.831 -2.349 3.718 1.00 0.00 C ATOM 866 NE2 HIS A 58 -0.155 -1.509 4.098 1.00 0.00 N ATOM 0 H HIS A 58 0.438 -0.308 7.816 1.00 0.00 H new ATOM 0 HA HIS A 58 3.308 0.076 7.979 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.925 0.830 5.383 1.00 0.00 H new ATOM 0 HB3 HIS A 58 3.652 -0.679 5.900 1.00 0.00 H new ATOM 0 HD2 HIS A 58 -0.157 0.245 5.431 1.00 0.00 H new ATOM 0 HE1 HIS A 58 0.720 -3.182 3.040 1.00 0.00 H new ATOM 0 HE2 HIS A 58 -1.128 -1.559 3.797 1.00 0.00 H new ATOM 875 N ILE A 59 1.242 2.109 8.496 1.00 0.00 N ATOM 876 CA ILE A 59 0.955 3.502 8.885 1.00 0.00 C ATOM 877 C ILE A 59 1.045 3.652 10.408 1.00 0.00 C ATOM 878 O ILE A 59 0.710 2.741 11.167 1.00 0.00 O ATOM 879 CB ILE A 59 -0.404 3.995 8.317 1.00 0.00 C ATOM 880 CG1 ILE A 59 -0.507 3.649 6.809 1.00 0.00 C ATOM 881 CG2 ILE A 59 -0.560 5.510 8.545 1.00 0.00 C ATOM 882 CD1 ILE A 59 -1.511 4.458 5.981 1.00 0.00 C ATOM 0 H ILE A 59 0.659 1.429 8.985 1.00 0.00 H new ATOM 0 HA ILE A 59 1.713 4.148 8.441 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.213 3.488 8.842 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.480 3.775 6.364 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.765 2.594 6.720 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.517 5.842 8.142 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.523 5.723 9.613 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.249 6.039 8.041 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.485 4.119 4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -2.514 4.316 6.385 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.249 5.515 6.023 1.00 0.00 H new ATOM 894 N THR A 60 1.500 4.818 10.864 1.00 0.00 N ATOM 895 CA THR A 60 1.452 5.207 12.281 1.00 0.00 C ATOM 896 C THR A 60 1.141 6.693 12.466 1.00 0.00 C ATOM 897 O THR A 60 1.481 7.524 11.624 1.00 0.00 O ATOM 898 CB THR A 60 2.751 4.815 13.002 1.00 0.00 C ATOM 899 OG1 THR A 60 2.637 5.158 14.364 1.00 0.00 O ATOM 900 CG2 THR A 60 4.009 5.487 12.447 1.00 0.00 C ATOM 0 H THR A 60 1.916 5.527 10.260 1.00 0.00 H new ATOM 0 HA THR A 60 0.629 4.656 12.737 1.00 0.00 H new ATOM 0 HB THR A 60 2.870 3.743 12.848 1.00 0.00 H new ATOM 0 HG1 THR A 60 3.513 5.435 14.706 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.879 5.155 13.013 1.00 0.00 H new ATOM 0 HG22 THR A 60 4.133 5.217 11.398 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.912 6.569 12.533 1.00 0.00 H new ATOM 908 N ASN A 61 0.521 7.037 13.597 1.00 0.00 N ATOM 909 CA ASN A 61 0.304 8.406 14.055 1.00 0.00 C ATOM 910 C ASN A 61 1.495 8.940 14.889 1.00 0.00 C ATOM 911 O ASN A 61 1.453 10.073 15.368 1.00 0.00 O ATOM 912 CB ASN A 61 -1.007 8.430 14.860 1.00 0.00 C ATOM 913 CG ASN A 61 -2.228 7.853 14.151 1.00 0.00 C ATOM 914 OD1 ASN A 61 -3.081 7.231 14.765 1.00 0.00 O ATOM 915 ND2 ASN A 61 -2.382 8.026 12.857 1.00 0.00 N ATOM 0 H ASN A 61 0.143 6.342 14.241 1.00 0.00 H new ATOM 0 HA ASN A 61 0.229 9.071 13.194 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.853 7.878 15.787 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.224 9.462 15.136 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.202 7.644 12.385 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -1.682 8.542 12.325 1.00 0.00 H new ATOM 922 N THR A 62 2.546 8.132 15.085 1.00 0.00 N ATOM 923 CA THR A 62 3.805 8.484 15.763 1.00 0.00 C ATOM 924 C THR A 62 4.926 7.515 15.358 1.00 0.00 C ATOM 925 O THR A 62 4.923 6.343 15.743 1.00 0.00 O ATOM 926 CB THR A 62 3.615 8.551 17.295 1.00 0.00 C ATOM 927 OG1 THR A 62 4.840 8.841 17.938 1.00 0.00 O ATOM 928 CG2 THR A 62 3.007 7.309 17.959 1.00 0.00 C ATOM 0 H THR A 62 2.543 7.166 14.759 1.00 0.00 H new ATOM 0 HA THR A 62 4.104 9.481 15.440 1.00 0.00 H new ATOM 0 HB THR A 62 2.884 9.349 17.423 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.699 8.881 18.907 1.00 0.00 H new ATOM 0 HG21 THR A 62 2.923 7.475 19.033 1.00 0.00 H new ATOM 0 HG22 THR A 62 2.017 7.121 17.542 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.648 6.447 17.774 1.00 0.00 H new ATOM 936 N ARG A 63 5.886 7.964 14.536 1.00 0.00 N ATOM 937 CA ARG A 63 7.063 7.158 14.162 1.00 0.00 C ATOM 938 C ARG A 63 7.940 6.864 15.388 1.00 0.00 C ATOM 939 O ARG A 63 8.680 7.727 15.857 1.00 0.00 O ATOM 940 CB ARG A 63 7.869 7.836 13.041 1.00 0.00 C ATOM 941 CG ARG A 63 8.966 6.885 12.539 1.00 0.00 C ATOM 942 CD ARG A 63 9.985 7.567 11.631 1.00 0.00 C ATOM 943 NE ARG A 63 10.874 8.471 12.394 1.00 0.00 N ATOM 944 CZ ARG A 63 10.830 9.789 12.490 1.00 0.00 C ATOM 945 NH1 ARG A 63 9.962 10.507 11.835 1.00 0.00 N ATOM 946 NH2 ARG A 63 11.670 10.419 13.258 1.00 0.00 N ATOM 0 H ARG A 63 5.871 8.892 14.112 1.00 0.00 H new ATOM 0 HA ARG A 63 6.707 6.203 13.774 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.207 8.109 12.219 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.316 8.759 13.410 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.484 6.454 13.396 1.00 0.00 H new ATOM 0 HG3 ARG A 63 8.503 6.060 11.998 1.00 0.00 H new ATOM 0 HD2 ARG A 63 10.583 6.811 11.122 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.464 8.134 10.859 1.00 0.00 H new ATOM 0 HE ARG A 63 11.622 8.016 12.917 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.285 10.054 11.222 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.960 11.522 11.936 1.00 0.00 H new ATOM 0 HH21 ARG A 63 12.366 9.896 13.789 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.632 11.436 13.329 1.00 0.00 H new ATOM 960 N ASP A 64 7.879 5.624 15.870 1.00 0.00 N ATOM 961 CA ASP A 64 8.666 5.111 17.005 1.00 0.00 C ATOM 962 C ASP A 64 9.713 4.048 16.597 1.00 0.00 C ATOM 963 O ASP A 64 10.434 3.508 17.438 1.00 0.00 O ATOM 964 CB ASP A 64 7.682 4.598 18.071 1.00 0.00 C ATOM 965 CG ASP A 64 8.345 4.314 19.432 1.00 0.00 C ATOM 966 OD1 ASP A 64 8.965 5.239 20.011 1.00 0.00 O ATOM 967 OD2 ASP A 64 8.199 3.182 19.954 1.00 0.00 O ATOM 0 H ASP A 64 7.260 4.918 15.471 1.00 0.00 H new ATOM 0 HA ASP A 64 9.266 5.923 17.417 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.890 5.335 18.208 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.209 3.685 17.709 1.00 0.00 H new ATOM 972 N VAL A 65 9.812 3.748 15.297 1.00 0.00 N ATOM 973 CA VAL A 65 10.754 2.774 14.723 1.00 0.00 C ATOM 974 C VAL A 65 12.196 3.310 14.665 1.00 0.00 C ATOM 975 O VAL A 65 12.432 4.490 14.403 1.00 0.00 O ATOM 976 CB VAL A 65 10.256 2.301 13.337 1.00 0.00 C ATOM 977 CG1 VAL A 65 10.006 3.439 12.343 1.00 0.00 C ATOM 978 CG2 VAL A 65 11.212 1.297 12.692 1.00 0.00 C ATOM 0 H VAL A 65 9.222 4.189 14.592 1.00 0.00 H new ATOM 0 HA VAL A 65 10.785 1.912 15.389 1.00 0.00 H new ATOM 0 HB VAL A 65 9.300 1.823 13.550 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.659 3.025 11.396 1.00 0.00 H new ATOM 0 HG12 VAL A 65 9.248 4.112 12.744 1.00 0.00 H new ATOM 0 HG13 VAL A 65 10.932 3.990 12.181 1.00 0.00 H new ATOM 0 HG21 VAL A 65 10.820 0.994 11.721 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.190 1.759 12.560 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.308 0.421 13.334 1.00 0.00 H new ATOM 988 N ASP A 66 13.165 2.409 14.861 1.00 0.00 N ATOM 989 CA ASP A 66 14.615 2.642 14.710 1.00 0.00 C ATOM 990 C ASP A 66 15.318 1.536 13.879 1.00 0.00 C ATOM 991 O ASP A 66 16.545 1.485 13.799 1.00 0.00 O ATOM 992 CB ASP A 66 15.220 2.794 16.116 1.00 0.00 C ATOM 993 CG ASP A 66 16.635 3.404 16.121 1.00 0.00 C ATOM 994 OD1 ASP A 66 16.850 4.458 15.474 1.00 0.00 O ATOM 995 OD2 ASP A 66 17.520 2.870 16.833 1.00 0.00 O ATOM 0 H ASP A 66 12.955 1.451 15.142 1.00 0.00 H new ATOM 0 HA ASP A 66 14.776 3.557 14.140 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.562 3.420 16.719 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.255 1.815 16.594 1.00 0.00 H new ATOM 1000 N CYS A 67 14.536 0.632 13.268 1.00 0.00 N ATOM 1001 CA CYS A 67 14.957 -0.553 12.496 1.00 0.00 C ATOM 1002 C CYS A 67 15.964 -1.466 13.241 1.00 0.00 C ATOM 1003 O CYS A 67 16.868 -2.057 12.652 1.00 0.00 O ATOM 1004 CB CYS A 67 15.358 -0.126 11.075 1.00 0.00 C ATOM 1005 SG CYS A 67 14.059 0.840 10.249 1.00 0.00 S ATOM 0 H CYS A 67 13.520 0.714 13.302 1.00 0.00 H new ATOM 0 HA CYS A 67 14.105 -1.224 12.388 1.00 0.00 H new ATOM 0 HB2 CYS A 67 16.273 0.465 11.121 1.00 0.00 H new ATOM 0 HB3 CYS A 67 15.581 -1.013 10.481 1.00 0.00 H new ATOM 1010 N ASP A 68 15.759 -1.596 14.556 1.00 0.00 N ATOM 1011 CA ASP A 68 16.494 -2.431 15.517 1.00 0.00 C ATOM 1012 C ASP A 68 15.604 -2.943 16.673 1.00 0.00 C ATOM 1013 O ASP A 68 15.921 -3.971 17.270 1.00 0.00 O ATOM 1014 CB ASP A 68 17.692 -1.647 16.090 1.00 0.00 C ATOM 1015 CG ASP A 68 18.984 -1.875 15.286 1.00 0.00 C ATOM 1016 OD1 ASP A 68 19.424 -3.046 15.194 1.00 0.00 O ATOM 1017 OD2 ASP A 68 19.600 -0.890 14.811 1.00 0.00 O ATOM 0 H ASP A 68 15.012 -1.076 15.016 1.00 0.00 H new ATOM 0 HA ASP A 68 16.845 -3.306 14.970 1.00 0.00 H new ATOM 0 HB2 ASP A 68 17.456 -0.583 16.098 1.00 0.00 H new ATOM 0 HB3 ASP A 68 17.855 -1.945 17.126 1.00 0.00 H new ATOM 1022 N ASN A 69 14.473 -2.285 16.971 1.00 0.00 N ATOM 1023 CA ASN A 69 13.533 -2.641 18.048 1.00 0.00 C ATOM 1024 C ASN A 69 12.219 -3.266 17.533 1.00 0.00 C ATOM 1025 O ASN A 69 11.394 -3.712 18.331 1.00 0.00 O ATOM 1026 CB ASN A 69 13.267 -1.398 18.915 1.00 0.00 C ATOM 1027 CG ASN A 69 14.541 -0.872 19.550 1.00 0.00 C ATOM 1028 OD1 ASN A 69 15.021 -1.367 20.560 1.00 0.00 O ATOM 1029 ND2 ASN A 69 15.144 0.130 18.953 1.00 0.00 N ATOM 0 H ASN A 69 14.176 -1.460 16.450 1.00 0.00 H new ATOM 0 HA ASN A 69 13.999 -3.419 18.653 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.817 -0.617 18.302 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.547 -1.646 19.695 1.00 0.00 H new ATOM 0 HD21 ASN A 69 16.017 0.499 19.331 1.00 0.00 H new ATOM 0 HD22 ASN A 69 14.740 0.540 18.111 1.00 0.00 H new ATOM 1036 N ILE A 70 12.027 -3.360 16.208 1.00 0.00 N ATOM 1037 CA ILE A 70 10.832 -3.948 15.562 1.00 0.00 C ATOM 1038 C ILE A 70 10.658 -5.451 15.842 1.00 0.00 C ATOM 1039 O ILE A 70 9.599 -6.020 15.595 1.00 0.00 O ATOM 1040 CB ILE A 70 10.817 -3.638 14.049 1.00 0.00 C ATOM 1041 CG1 ILE A 70 11.945 -4.371 13.283 1.00 0.00 C ATOM 1042 CG2 ILE A 70 10.868 -2.110 13.871 1.00 0.00 C ATOM 1043 CD1 ILE A 70 12.193 -3.848 11.866 1.00 0.00 C ATOM 0 H ILE A 70 12.714 -3.022 15.534 1.00 0.00 H new ATOM 0 HA ILE A 70 9.966 -3.469 16.019 1.00 0.00 H new ATOM 0 HB ILE A 70 9.896 -4.018 13.608 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.869 -4.287 13.855 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.700 -5.432 13.228 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.858 -1.867 12.808 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.002 -1.658 14.354 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.780 -1.721 14.324 1.00 0.00 H new ATOM 0 HD11 ILE A 70 12.999 -4.418 11.404 1.00 0.00 H new ATOM 0 HD12 ILE A 70 11.285 -3.958 11.274 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.472 -2.795 11.910 1.00 0.00 H new ATOM 1055 N MET A 71 11.667 -6.078 16.456 1.00 0.00 N ATOM 1056 CA MET A 71 11.580 -7.402 17.092 1.00 0.00 C ATOM 1057 C MET A 71 10.485 -7.482 18.180 1.00 0.00 C ATOM 1058 O MET A 71 9.983 -8.567 18.474 1.00 0.00 O ATOM 1059 CB MET A 71 12.959 -7.745 17.677 1.00 0.00 C ATOM 1060 CG MET A 71 13.156 -9.241 17.935 1.00 0.00 C ATOM 1061 SD MET A 71 14.872 -9.663 18.347 1.00 0.00 S ATOM 1062 CE MET A 71 14.722 -11.467 18.447 1.00 0.00 C ATOM 0 H MET A 71 12.598 -5.667 16.528 1.00 0.00 H new ATOM 0 HA MET A 71 11.291 -8.129 16.333 1.00 0.00 H new ATOM 0 HB2 MET A 71 13.732 -7.397 16.992 1.00 0.00 H new ATOM 0 HB3 MET A 71 13.094 -7.202 18.612 1.00 0.00 H new ATOM 0 HG2 MET A 71 12.504 -9.553 18.751 1.00 0.00 H new ATOM 0 HG3 MET A 71 12.851 -9.801 17.051 1.00 0.00 H new ATOM 0 HE1 MET A 71 15.691 -11.900 18.694 1.00 0.00 H new ATOM 0 HE2 MET A 71 14.000 -11.730 19.220 1.00 0.00 H new ATOM 0 HE3 MET A 71 14.384 -11.858 17.487 1.00 0.00 H new ATOM 1072 N SER A 72 10.095 -6.337 18.758 1.00 0.00 N ATOM 1073 CA SER A 72 9.054 -6.193 19.787 1.00 0.00 C ATOM 1074 C SER A 72 7.690 -5.718 19.241 1.00 0.00 C ATOM 1075 O SER A 72 6.724 -5.632 20.005 1.00 0.00 O ATOM 1076 CB SER A 72 9.566 -5.226 20.866 1.00 0.00 C ATOM 1077 OG SER A 72 8.831 -5.348 22.075 1.00 0.00 O ATOM 0 H SER A 72 10.517 -5.442 18.509 1.00 0.00 H new ATOM 0 HA SER A 72 8.868 -7.184 20.202 1.00 0.00 H new ATOM 0 HB2 SER A 72 10.620 -5.423 21.060 1.00 0.00 H new ATOM 0 HB3 SER A 72 9.495 -4.202 20.499 1.00 0.00 H new ATOM 0 HG SER A 72 7.877 -5.435 21.870 1.00 0.00 H new ATOM 1083 N THR A 73 7.574 -5.418 17.939 1.00 0.00 N ATOM 1084 CA THR A 73 6.318 -5.015 17.268 1.00 0.00 C ATOM 1085 C THR A 73 5.781 -6.136 16.365 1.00 0.00 C ATOM 1086 O THR A 73 6.344 -7.231 16.311 1.00 0.00 O ATOM 1087 CB THR A 73 6.472 -3.703 16.471 1.00 0.00 C ATOM 1088 OG1 THR A 73 7.250 -3.903 15.312 1.00 0.00 O ATOM 1089 CG2 THR A 73 7.114 -2.573 17.278 1.00 0.00 C ATOM 0 H THR A 73 8.370 -5.448 17.302 1.00 0.00 H new ATOM 0 HA THR A 73 5.591 -4.831 18.059 1.00 0.00 H new ATOM 0 HB THR A 73 5.455 -3.407 16.212 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.936 -4.580 15.491 1.00 0.00 H new ATOM 0 HG21 THR A 73 7.192 -1.681 16.657 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.499 -2.355 18.151 1.00 0.00 H new ATOM 0 HG23 THR A 73 8.109 -2.877 17.602 1.00 0.00 H new ATOM 1097 N ASN A 74 4.681 -5.890 15.640 1.00 0.00 N ATOM 1098 CA ASN A 74 4.115 -6.849 14.680 1.00 0.00 C ATOM 1099 C ASN A 74 5.049 -7.147 13.484 1.00 0.00 C ATOM 1100 O ASN A 74 4.862 -8.144 12.790 1.00 0.00 O ATOM 1101 CB ASN A 74 2.753 -6.334 14.172 1.00 0.00 C ATOM 1102 CG ASN A 74 1.789 -5.954 15.281 1.00 0.00 C ATOM 1103 OD1 ASN A 74 1.293 -6.786 16.028 1.00 0.00 O ATOM 1104 ND2 ASN A 74 1.498 -4.679 15.423 1.00 0.00 N ATOM 0 H ASN A 74 4.157 -5.017 15.703 1.00 0.00 H new ATOM 0 HA ASN A 74 3.989 -7.791 15.214 1.00 0.00 H new ATOM 0 HB2 ASN A 74 2.918 -5.466 13.534 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.293 -7.103 13.551 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.857 -4.381 16.158 1.00 0.00 H new ATOM 0 HD22 ASN A 74 1.914 -3.988 14.798 1.00 0.00 H new ATOM 1111 N LEU A 75 6.058 -6.301 13.239 1.00 0.00 N ATOM 1112 CA LEU A 75 6.972 -6.338 12.089 1.00 0.00 C ATOM 1113 C LEU A 75 8.266 -7.152 12.343 1.00 0.00 C ATOM 1114 O LEU A 75 9.236 -7.033 11.590 1.00 0.00 O ATOM 1115 CB LEU A 75 7.279 -4.883 11.673 1.00 0.00 C ATOM 1116 CG LEU A 75 6.156 -4.057 11.006 1.00 0.00 C ATOM 1117 CD1 LEU A 75 5.527 -4.767 9.806 1.00 0.00 C ATOM 1118 CD2 LEU A 75 5.042 -3.620 11.954 1.00 0.00 C ATOM 0 H LEU A 75 6.270 -5.530 13.872 1.00 0.00 H new ATOM 0 HA LEU A 75 6.477 -6.869 11.276 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.603 -4.344 12.563 1.00 0.00 H new ATOM 0 HB3 LEU A 75 8.126 -4.905 10.988 1.00 0.00 H new ATOM 0 HG LEU A 75 6.677 -3.161 10.669 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.745 -4.138 9.380 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.292 -4.956 9.053 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.095 -5.714 10.129 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.298 -3.046 11.401 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.570 -4.500 12.391 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.461 -3.001 12.747 1.00 0.00 H new ATOM 1130 N PHE A 76 8.284 -8.014 13.364 1.00 0.00 N ATOM 1131 CA PHE A 76 9.418 -8.855 13.787 1.00 0.00 C ATOM 1132 C PHE A 76 9.812 -9.943 12.772 1.00 0.00 C ATOM 1133 O PHE A 76 10.838 -10.605 12.929 1.00 0.00 O ATOM 1134 CB PHE A 76 9.091 -9.508 15.137 1.00 0.00 C ATOM 1135 CG PHE A 76 8.106 -10.666 15.078 1.00 0.00 C ATOM 1136 CD1 PHE A 76 6.718 -10.429 15.049 1.00 0.00 C ATOM 1137 CD2 PHE A 76 8.582 -11.991 15.044 1.00 0.00 C ATOM 1138 CE1 PHE A 76 5.815 -11.504 14.995 1.00 0.00 C ATOM 1139 CE2 PHE A 76 7.680 -13.069 14.987 1.00 0.00 C ATOM 1140 CZ PHE A 76 6.294 -12.825 14.966 1.00 0.00 C ATOM 0 H PHE A 76 7.464 -8.155 13.953 1.00 0.00 H new ATOM 0 HA PHE A 76 10.278 -8.190 13.866 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.019 -9.865 15.584 1.00 0.00 H new ATOM 0 HB3 PHE A 76 8.689 -8.745 15.803 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.346 -9.415 15.068 1.00 0.00 H new ATOM 0 HD2 PHE A 76 9.645 -12.180 15.062 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.752 -11.315 14.976 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.051 -14.083 14.959 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.600 -13.651 14.928 1.00 0.00 H new ATOM 1150 N HIS A 77 9.002 -10.115 11.722 1.00 0.00 N ATOM 1151 CA HIS A 77 9.083 -11.137 10.667 1.00 0.00 C ATOM 1152 C HIS A 77 10.370 -11.130 9.818 1.00 0.00 C ATOM 1153 O HIS A 77 10.524 -11.981 8.942 1.00 0.00 O ATOM 1154 CB HIS A 77 7.841 -10.963 9.772 1.00 0.00 C ATOM 1155 CG HIS A 77 6.544 -11.216 10.501 1.00 0.00 C ATOM 1156 ND1 HIS A 77 6.159 -12.410 11.087 1.00 0.00 N ATOM 1157 CD2 HIS A 77 5.560 -10.295 10.723 1.00 0.00 C ATOM 1158 CE1 HIS A 77 4.957 -12.210 11.667 1.00 0.00 C ATOM 1159 NE2 HIS A 77 4.576 -10.932 11.461 1.00 0.00 N ATOM 0 H HIS A 77 8.207 -9.493 11.574 1.00 0.00 H new ATOM 0 HA HIS A 77 9.115 -12.108 11.162 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.832 -9.951 9.367 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.913 -11.645 8.925 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.551 -9.268 10.388 1.00 0.00 H new ATOM 0 HE1 HIS A 77 4.391 -12.953 12.209 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.710 -10.507 11.793 1.00 0.00 H new ATOM 1168 N CYS A 78 11.283 -10.184 10.059 1.00 0.00 N ATOM 1169 CA CYS A 78 12.516 -9.952 9.292 1.00 0.00 C ATOM 1170 C CYS A 78 12.277 -9.890 7.765 1.00 0.00 C ATOM 1171 O CYS A 78 12.895 -10.612 6.975 1.00 0.00 O ATOM 1172 CB CYS A 78 13.591 -10.967 9.715 1.00 0.00 C ATOM 1173 SG CYS A 78 15.292 -10.467 9.322 1.00 0.00 S ATOM 0 H CYS A 78 11.179 -9.526 10.831 1.00 0.00 H new ATOM 0 HA CYS A 78 12.892 -8.958 9.535 1.00 0.00 H new ATOM 0 HB2 CYS A 78 13.513 -11.133 10.789 1.00 0.00 H new ATOM 0 HB3 CYS A 78 13.384 -11.920 9.229 1.00 0.00 H new ATOM 1178 N LYS A 79 11.346 -9.016 7.352 1.00 0.00 N ATOM 1179 CA LYS A 79 11.102 -8.656 5.943 1.00 0.00 C ATOM 1180 C LYS A 79 12.340 -8.025 5.278 1.00 0.00 C ATOM 1181 O LYS A 79 13.276 -7.596 5.951 1.00 0.00 O ATOM 1182 CB LYS A 79 9.839 -7.773 5.810 1.00 0.00 C ATOM 1183 CG LYS A 79 9.651 -6.668 6.861 1.00 0.00 C ATOM 1184 CD LYS A 79 10.916 -5.827 7.116 1.00 0.00 C ATOM 1185 CE LYS A 79 10.706 -4.466 7.776 1.00 0.00 C ATOM 1186 NZ LYS A 79 9.725 -4.486 8.896 1.00 0.00 N ATOM 0 H LYS A 79 10.728 -8.529 8.001 1.00 0.00 H new ATOM 0 HA LYS A 79 10.911 -9.578 5.395 1.00 0.00 H new ATOM 0 HB2 LYS A 79 9.853 -7.306 4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.965 -8.424 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.846 -6.007 6.539 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.334 -7.123 7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.593 -6.409 7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.420 -5.670 6.162 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.663 -4.103 8.150 1.00 0.00 H new ATOM 0 HE3 LYS A 79 10.368 -3.755 7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.634 -3.530 9.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.800 -4.803 8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.055 -5.139 9.635 1.00 0.00 H new ATOM 1200 N ASP A 80 12.310 -7.905 3.953 1.00 0.00 N ATOM 1201 CA ASP A 80 13.374 -7.291 3.139 1.00 0.00 C ATOM 1202 C ASP A 80 13.366 -5.755 3.210 1.00 0.00 C ATOM 1203 O ASP A 80 14.409 -5.115 3.072 1.00 0.00 O ATOM 1204 CB ASP A 80 13.213 -7.727 1.674 1.00 0.00 C ATOM 1205 CG ASP A 80 13.421 -9.239 1.493 1.00 0.00 C ATOM 1206 OD1 ASP A 80 14.592 -9.687 1.433 1.00 0.00 O ATOM 1207 OD2 ASP A 80 12.414 -9.981 1.396 1.00 0.00 O ATOM 0 H ASP A 80 11.526 -8.239 3.393 1.00 0.00 H new ATOM 0 HA ASP A 80 14.326 -7.633 3.545 1.00 0.00 H new ATOM 0 HB2 ASP A 80 12.218 -7.454 1.323 1.00 0.00 H new ATOM 0 HB3 ASP A 80 13.929 -7.187 1.055 1.00 0.00 H new ATOM 1212 N LYS A 81 12.185 -5.164 3.424 1.00 0.00 N ATOM 1213 CA LYS A 81 11.921 -3.727 3.595 1.00 0.00 C ATOM 1214 C LYS A 81 10.479 -3.494 4.054 1.00 0.00 C ATOM 1215 O LYS A 81 9.630 -4.371 3.884 1.00 0.00 O ATOM 1216 CB LYS A 81 12.222 -2.958 2.283 1.00 0.00 C ATOM 1217 CG LYS A 81 11.544 -3.537 1.034 1.00 0.00 C ATOM 1218 CD LYS A 81 12.048 -2.910 -0.276 1.00 0.00 C ATOM 1219 CE LYS A 81 11.599 -1.458 -0.492 1.00 0.00 C ATOM 1220 NZ LYS A 81 10.249 -1.372 -1.108 1.00 0.00 N ATOM 0 H LYS A 81 11.328 -5.713 3.487 1.00 0.00 H new ATOM 0 HA LYS A 81 12.585 -3.343 4.369 1.00 0.00 H new ATOM 0 HB2 LYS A 81 11.907 -1.922 2.404 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.300 -2.947 2.123 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.714 -4.613 1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.467 -3.386 1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.137 -2.947 -0.288 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.699 -3.515 -1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 81 11.594 -0.935 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.321 -0.948 -1.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 9.988 -0.373 -1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.259 -1.847 -2.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.554 -1.835 -0.488 1.00 0.00 H new ATOM 1234 N ASN A 82 10.187 -2.319 4.611 1.00 0.00 N ATOM 1235 CA ASN A 82 8.816 -1.825 4.795 1.00 0.00 C ATOM 1236 C ASN A 82 8.765 -0.295 4.666 1.00 0.00 C ATOM 1237 O ASN A 82 9.678 0.406 5.110 1.00 0.00 O ATOM 1238 CB ASN A 82 8.276 -2.305 6.159 1.00 0.00 C ATOM 1239 CG ASN A 82 6.785 -2.050 6.354 1.00 0.00 C ATOM 1240 OD1 ASN A 82 5.981 -2.163 5.440 1.00 0.00 O ATOM 1241 ND2 ASN A 82 6.371 -1.746 7.562 1.00 0.00 N ATOM 0 H ASN A 82 10.900 -1.674 4.952 1.00 0.00 H new ATOM 0 HA ASN A 82 8.176 -2.230 4.011 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.469 -3.373 6.260 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.828 -1.804 6.955 1.00 0.00 H new ATOM 0 HD21 ASN A 82 5.377 -1.604 7.740 1.00 0.00 H new ATOM 0 HD22 ASN A 82 7.044 -1.652 8.323 1.00 0.00 H new ATOM 1248 N THR A 83 7.684 0.216 4.077 1.00 0.00 N ATOM 1249 CA THR A 83 7.341 1.645 4.035 1.00 0.00 C ATOM 1250 C THR A 83 6.467 1.988 5.242 1.00 0.00 C ATOM 1251 O THR A 83 5.345 1.495 5.321 1.00 0.00 O ATOM 1252 CB THR A 83 6.544 1.967 2.754 1.00 0.00 C ATOM 1253 OG1 THR A 83 7.252 1.566 1.596 1.00 0.00 O ATOM 1254 CG2 THR A 83 6.264 3.463 2.627 1.00 0.00 C ATOM 0 H THR A 83 6.998 -0.369 3.599 1.00 0.00 H new ATOM 0 HA THR A 83 8.263 2.226 4.048 1.00 0.00 H new ATOM 0 HB THR A 83 5.606 1.418 2.834 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.724 1.780 0.799 1.00 0.00 H new ATOM 0 HG21 THR A 83 5.701 3.651 1.713 1.00 0.00 H new ATOM 0 HG22 THR A 83 5.684 3.799 3.486 1.00 0.00 H new ATOM 0 HG23 THR A 83 7.207 4.008 2.591 1.00 0.00 H new ATOM 1262 N PHE A 84 6.930 2.827 6.171 1.00 0.00 N ATOM 1263 CA PHE A 84 6.063 3.451 7.178 1.00 0.00 C ATOM 1264 C PHE A 84 5.646 4.863 6.747 1.00 0.00 C ATOM 1265 O PHE A 84 6.485 5.706 6.417 1.00 0.00 O ATOM 1266 CB PHE A 84 6.734 3.494 8.552 1.00 0.00 C ATOM 1267 CG PHE A 84 7.076 2.142 9.136 1.00 0.00 C ATOM 1268 CD1 PHE A 84 6.053 1.244 9.499 1.00 0.00 C ATOM 1269 CD2 PHE A 84 8.426 1.795 9.331 1.00 0.00 C ATOM 1270 CE1 PHE A 84 6.383 0.019 10.109 1.00 0.00 C ATOM 1271 CE2 PHE A 84 8.752 0.532 9.860 1.00 0.00 C ATOM 1272 CZ PHE A 84 7.731 -0.340 10.286 1.00 0.00 C ATOM 0 H PHE A 84 7.912 3.093 6.248 1.00 0.00 H new ATOM 0 HA PHE A 84 5.169 2.833 7.259 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.648 4.082 8.475 1.00 0.00 H new ATOM 0 HB3 PHE A 84 6.076 4.017 9.246 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.020 1.494 9.310 1.00 0.00 H new ATOM 0 HD2 PHE A 84 9.208 2.495 9.076 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.600 -0.646 10.442 1.00 0.00 H new ATOM 0 HE2 PHE A 84 9.786 0.231 9.939 1.00 0.00 H new ATOM 0 HZ PHE A 84 7.983 -1.283 10.748 1.00 0.00 H new ATOM 1282 N ILE A 85 4.340 5.125 6.777 1.00 0.00 N ATOM 1283 CA ILE A 85 3.725 6.428 6.520 1.00 0.00 C ATOM 1284 C ILE A 85 3.403 7.051 7.885 1.00 0.00 C ATOM 1285 O ILE A 85 2.572 6.521 8.626 1.00 0.00 O ATOM 1286 CB ILE A 85 2.466 6.230 5.643 1.00 0.00 C ATOM 1287 CG1 ILE A 85 2.809 5.581 4.279 1.00 0.00 C ATOM 1288 CG2 ILE A 85 1.728 7.556 5.410 1.00 0.00 C ATOM 1289 CD1 ILE A 85 1.581 5.013 3.559 1.00 0.00 C ATOM 0 H ILE A 85 3.651 4.404 6.990 1.00 0.00 H new ATOM 0 HA ILE A 85 4.387 7.100 5.973 1.00 0.00 H new ATOM 0 HB ILE A 85 1.811 5.554 6.193 1.00 0.00 H new ATOM 0 HG12 ILE A 85 3.287 6.323 3.640 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.533 4.782 4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 85 0.849 7.379 4.790 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.418 7.973 6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.392 8.258 4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 85 1.887 4.572 2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.116 4.248 4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.865 5.814 3.373 1.00 0.00 H new ATOM 1301 N TYR A 86 4.076 8.141 8.258 1.00 0.00 N ATOM 1302 CA TYR A 86 3.706 8.935 9.431 1.00 0.00 C ATOM 1303 C TYR A 86 2.650 9.981 9.035 1.00 0.00 C ATOM 1304 O TYR A 86 2.974 11.079 8.573 1.00 0.00 O ATOM 1305 CB TYR A 86 4.965 9.507 10.098 1.00 0.00 C ATOM 1306 CG TYR A 86 4.770 10.445 11.281 1.00 0.00 C ATOM 1307 CD1 TYR A 86 3.573 10.466 12.030 1.00 0.00 C ATOM 1308 CD2 TYR A 86 5.815 11.327 11.628 1.00 0.00 C ATOM 1309 CE1 TYR A 86 3.406 11.400 13.069 1.00 0.00 C ATOM 1310 CE2 TYR A 86 5.661 12.242 12.687 1.00 0.00 C ATOM 1311 CZ TYR A 86 4.448 12.289 13.407 1.00 0.00 C ATOM 1312 OH TYR A 86 4.291 13.188 14.417 1.00 0.00 O ATOM 0 H TYR A 86 4.890 8.497 7.757 1.00 0.00 H new ATOM 0 HA TYR A 86 3.235 8.313 10.192 1.00 0.00 H new ATOM 0 HB2 TYR A 86 5.579 8.670 10.430 1.00 0.00 H new ATOM 0 HB3 TYR A 86 5.536 10.039 9.337 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.784 9.764 11.805 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.743 11.300 11.076 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.473 11.437 13.612 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.471 12.907 12.948 1.00 0.00 H new ATOM 0 HH TYR A 86 5.109 13.719 14.512 1.00 0.00 H new ATOM 1322 N SER A 87 1.374 9.610 9.183 1.00 0.00 N ATOM 1323 CA SER A 87 0.198 10.451 8.903 1.00 0.00 C ATOM 1324 C SER A 87 -0.983 10.156 9.847 1.00 0.00 C ATOM 1325 O SER A 87 -0.926 9.266 10.703 1.00 0.00 O ATOM 1326 CB SER A 87 -0.231 10.271 7.437 1.00 0.00 C ATOM 1327 OG SER A 87 -0.757 8.973 7.226 1.00 0.00 O ATOM 0 H SER A 87 1.119 8.680 9.514 1.00 0.00 H new ATOM 0 HA SER A 87 0.489 11.487 9.080 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.980 11.019 7.177 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.623 10.434 6.780 1.00 0.00 H new ATOM 0 HG SER A 87 -1.026 8.877 6.289 1.00 0.00 H new ATOM 1333 N ARG A 88 -2.076 10.916 9.702 1.00 0.00 N ATOM 1334 CA ARG A 88 -3.410 10.606 10.248 1.00 0.00 C ATOM 1335 C ARG A 88 -4.215 9.748 9.252 1.00 0.00 C ATOM 1336 O ARG A 88 -3.929 9.794 8.057 1.00 0.00 O ATOM 1337 CB ARG A 88 -4.128 11.942 10.538 1.00 0.00 C ATOM 1338 CG ARG A 88 -3.543 12.687 11.752 1.00 0.00 C ATOM 1339 CD ARG A 88 -3.842 11.996 13.099 1.00 0.00 C ATOM 1340 NE ARG A 88 -4.712 12.812 13.976 1.00 0.00 N ATOM 1341 CZ ARG A 88 -5.995 13.098 13.819 1.00 0.00 C ATOM 1342 NH1 ARG A 88 -6.695 12.604 12.840 1.00 0.00 N ATOM 1343 NH2 ARG A 88 -6.607 13.900 14.638 1.00 0.00 N ATOM 0 H ARG A 88 -2.059 11.795 9.184 1.00 0.00 H new ATOM 0 HA ARG A 88 -3.318 10.030 11.169 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.061 12.583 9.659 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.187 11.749 10.712 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.464 12.775 11.629 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.945 13.700 11.775 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.320 11.035 12.912 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.904 11.790 13.614 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.267 13.203 14.806 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -6.257 11.977 12.166 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -7.682 12.844 12.747 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.098 14.320 15.416 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -7.596 14.110 14.503 1.00 0.00 H new ATOM 1357 N PRO A 89 -5.268 9.024 9.686 1.00 0.00 N ATOM 1358 CA PRO A 89 -6.102 8.220 8.782 1.00 0.00 C ATOM 1359 C PRO A 89 -7.030 9.046 7.874 1.00 0.00 C ATOM 1360 O PRO A 89 -7.441 8.566 6.820 1.00 0.00 O ATOM 1361 CB PRO A 89 -6.911 7.302 9.704 1.00 0.00 C ATOM 1362 CG PRO A 89 -7.023 8.097 11.002 1.00 0.00 C ATOM 1363 CD PRO A 89 -5.677 8.815 11.070 1.00 0.00 C ATOM 0 HA PRO A 89 -5.470 7.677 8.079 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.892 7.079 9.286 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -6.407 6.348 9.861 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -7.856 8.799 10.977 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -7.180 7.447 11.863 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -5.766 9.764 11.599 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.942 8.217 11.609 1.00 0.00 H new ATOM 1371 N GLU A 90 -7.353 10.289 8.245 1.00 0.00 N ATOM 1372 CA GLU A 90 -8.255 11.182 7.501 1.00 0.00 C ATOM 1373 C GLU A 90 -7.742 11.480 6.073 1.00 0.00 C ATOM 1374 O GLU A 90 -8.455 11.154 5.119 1.00 0.00 O ATOM 1375 CB GLU A 90 -8.541 12.456 8.324 1.00 0.00 C ATOM 1376 CG GLU A 90 -9.406 12.161 9.559 1.00 0.00 C ATOM 1377 CD GLU A 90 -9.576 13.403 10.457 1.00 0.00 C ATOM 1378 OE1 GLU A 90 -10.276 14.364 10.054 1.00 0.00 O ATOM 1379 OE2 GLU A 90 -9.020 13.417 11.584 1.00 0.00 O ATOM 0 H GLU A 90 -6.985 10.716 9.095 1.00 0.00 H new ATOM 0 HA GLU A 90 -9.205 10.668 7.357 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.598 12.903 8.640 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.046 13.189 7.694 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -10.386 11.809 9.239 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.951 11.356 10.136 1.00 0.00 H new ATOM 1386 N PRO A 91 -6.509 11.999 5.870 1.00 0.00 N ATOM 1387 CA PRO A 91 -5.942 12.239 4.534 1.00 0.00 C ATOM 1388 C PRO A 91 -5.591 10.973 3.735 1.00 0.00 C ATOM 1389 O PRO A 91 -5.131 11.088 2.601 1.00 0.00 O ATOM 1390 CB PRO A 91 -4.687 13.086 4.767 1.00 0.00 C ATOM 1391 CG PRO A 91 -4.249 12.716 6.178 1.00 0.00 C ATOM 1392 CD PRO A 91 -5.572 12.457 6.890 1.00 0.00 C ATOM 0 HA PRO A 91 -6.695 12.732 3.919 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.911 12.859 4.036 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -4.903 14.151 4.683 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.608 11.834 6.184 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.687 13.522 6.651 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -5.452 11.706 7.671 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -5.937 13.364 7.373 1.00 0.00 H new ATOM 1400 N VAL A 92 -5.800 9.779 4.298 1.00 0.00 N ATOM 1401 CA VAL A 92 -5.613 8.472 3.640 1.00 0.00 C ATOM 1402 C VAL A 92 -6.963 7.924 3.171 1.00 0.00 C ATOM 1403 O VAL A 92 -7.138 7.629 1.989 1.00 0.00 O ATOM 1404 CB VAL A 92 -4.896 7.479 4.582 1.00 0.00 C ATOM 1405 CG1 VAL A 92 -4.523 6.188 3.848 1.00 0.00 C ATOM 1406 CG2 VAL A 92 -3.603 8.036 5.189 1.00 0.00 C ATOM 0 H VAL A 92 -6.117 9.687 5.263 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.977 8.606 2.765 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.614 7.291 5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.020 5.510 4.537 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.426 5.713 3.466 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.857 6.421 3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.153 7.285 5.839 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.906 8.289 4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.829 8.930 5.770 1.00 0.00 H new ATOM 1416 N LYS A 93 -7.952 7.823 4.065 1.00 0.00 N ATOM 1417 CA LYS A 93 -9.290 7.302 3.736 1.00 0.00 C ATOM 1418 C LYS A 93 -10.063 8.216 2.779 1.00 0.00 C ATOM 1419 O LYS A 93 -10.668 7.739 1.821 1.00 0.00 O ATOM 1420 CB LYS A 93 -10.103 7.032 5.018 1.00 0.00 C ATOM 1421 CG LYS A 93 -10.954 5.755 4.862 1.00 0.00 C ATOM 1422 CD LYS A 93 -12.285 5.734 5.629 1.00 0.00 C ATOM 1423 CE LYS A 93 -12.153 5.659 7.153 1.00 0.00 C ATOM 1424 NZ LYS A 93 -11.962 6.980 7.806 1.00 0.00 N ATOM 0 H LYS A 93 -7.850 8.100 5.041 1.00 0.00 H new ATOM 0 HA LYS A 93 -9.140 6.358 3.212 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -9.428 6.924 5.867 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -10.750 7.883 5.231 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -11.166 5.611 3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -10.357 4.903 5.187 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -12.849 6.630 5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -12.870 4.880 5.288 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -13.047 5.188 7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -11.310 5.015 7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -11.983 6.863 8.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -11.045 7.379 7.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -12.725 7.624 7.516 1.00 0.00 H new ATOM 1438 N ALA A 94 -10.026 9.528 3.024 1.00 0.00 N ATOM 1439 CA ALA A 94 -10.820 10.534 2.312 1.00 0.00 C ATOM 1440 C ALA A 94 -10.301 10.881 0.903 1.00 0.00 C ATOM 1441 O ALA A 94 -10.947 11.649 0.186 1.00 0.00 O ATOM 1442 CB ALA A 94 -10.901 11.794 3.175 1.00 0.00 C ATOM 0 H ALA A 94 -9.426 9.932 3.743 1.00 0.00 H new ATOM 0 HA ALA A 94 -11.807 10.100 2.150 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -11.489 12.552 2.658 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -11.375 11.553 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.896 12.176 3.357 1.00 0.00 H new ATOM 1448 N ILE A 95 -9.162 10.310 0.482 1.00 0.00 N ATOM 1449 CA ILE A 95 -8.669 10.397 -0.905 1.00 0.00 C ATOM 1450 C ILE A 95 -9.759 9.928 -1.892 1.00 0.00 C ATOM 1451 O ILE A 95 -9.924 10.517 -2.963 1.00 0.00 O ATOM 1452 CB ILE A 95 -7.363 9.589 -1.101 1.00 0.00 C ATOM 1453 CG1 ILE A 95 -6.266 9.978 -0.088 1.00 0.00 C ATOM 1454 CG2 ILE A 95 -6.801 9.801 -2.518 1.00 0.00 C ATOM 1455 CD1 ILE A 95 -5.062 9.023 -0.071 1.00 0.00 C ATOM 0 H ILE A 95 -8.552 9.771 1.097 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.436 11.442 -1.111 1.00 0.00 H new ATOM 0 HB ILE A 95 -7.630 8.544 -0.943 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -5.915 10.984 -0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -6.703 10.012 0.910 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -5.883 9.225 -2.635 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.534 9.470 -3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.587 10.859 -2.670 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -4.336 9.366 0.667 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.398 8.019 0.189 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.597 9.006 -1.057 1.00 0.00 H new ATOM 1467 N CYS A 96 -10.549 8.920 -1.499 1.00 0.00 N ATOM 1468 CA CYS A 96 -11.722 8.444 -2.230 1.00 0.00 C ATOM 1469 C CYS A 96 -13.053 8.744 -1.510 1.00 0.00 C ATOM 1470 O CYS A 96 -13.106 8.912 -0.289 1.00 0.00 O ATOM 1471 CB CYS A 96 -11.562 6.945 -2.503 1.00 0.00 C ATOM 1472 SG CYS A 96 -11.284 5.862 -1.078 1.00 0.00 S ATOM 0 H CYS A 96 -10.381 8.400 -0.637 1.00 0.00 H new ATOM 0 HA CYS A 96 -11.775 8.991 -3.171 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -12.458 6.599 -3.019 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.727 6.816 -3.192 1.00 0.00 H new ATOM 1477 N LYS A 97 -14.142 8.773 -2.292 1.00 0.00 N ATOM 1478 CA LYS A 97 -15.539 8.943 -1.848 1.00 0.00 C ATOM 1479 C LYS A 97 -16.488 8.311 -2.871 1.00 0.00 C ATOM 1480 O LYS A 97 -16.591 8.783 -4.002 1.00 0.00 O ATOM 1481 CB LYS A 97 -15.830 10.443 -1.609 1.00 0.00 C ATOM 1482 CG LYS A 97 -17.162 10.725 -0.884 1.00 0.00 C ATOM 1483 CD LYS A 97 -18.377 10.866 -1.819 1.00 0.00 C ATOM 1484 CE LYS A 97 -19.642 11.314 -1.068 1.00 0.00 C ATOM 1485 NZ LYS A 97 -20.220 10.235 -0.223 1.00 0.00 N ATOM 0 H LYS A 97 -14.072 8.674 -3.305 1.00 0.00 H new ATOM 0 HA LYS A 97 -15.701 8.429 -0.901 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -15.015 10.870 -1.025 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -15.837 10.957 -2.570 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -17.355 9.918 -0.177 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -17.058 11.641 -0.302 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.148 11.588 -2.603 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -18.567 9.912 -2.310 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -19.402 12.172 -0.440 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -20.389 11.645 -1.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -21.070 10.590 0.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -20.476 9.424 -0.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -19.519 9.935 0.485 1.00 0.00 H new ATOM 1499 N GLY A 98 -17.134 7.207 -2.493 1.00 0.00 N ATOM 1500 CA GLY A 98 -18.076 6.456 -3.341 1.00 0.00 C ATOM 1501 C GLY A 98 -17.422 5.439 -4.290 1.00 0.00 C ATOM 1502 O GLY A 98 -18.119 4.807 -5.082 1.00 0.00 O ATOM 0 H GLY A 98 -17.017 6.796 -1.567 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -18.781 5.930 -2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -18.654 7.165 -3.934 1.00 0.00 H new ATOM 1506 N ILE A 99 -16.096 5.268 -4.223 1.00 0.00 N ATOM 1507 CA ILE A 99 -15.323 4.368 -5.093 1.00 0.00 C ATOM 1508 C ILE A 99 -15.475 2.906 -4.649 1.00 0.00 C ATOM 1509 O ILE A 99 -15.065 2.519 -3.553 1.00 0.00 O ATOM 1510 CB ILE A 99 -13.843 4.816 -5.185 1.00 0.00 C ATOM 1511 CG1 ILE A 99 -13.783 6.230 -5.817 1.00 0.00 C ATOM 1512 CG2 ILE A 99 -13.022 3.806 -6.008 1.00 0.00 C ATOM 1513 CD1 ILE A 99 -12.376 6.797 -6.041 1.00 0.00 C ATOM 0 H ILE A 99 -15.515 5.763 -3.546 1.00 0.00 H new ATOM 0 HA ILE A 99 -15.730 4.431 -6.102 1.00 0.00 H new ATOM 0 HB ILE A 99 -13.409 4.853 -4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -14.301 6.202 -6.776 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -14.335 6.918 -5.177 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -11.985 4.138 -6.062 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -13.066 2.827 -5.531 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -13.433 3.737 -7.015 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.450 7.789 -6.487 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.855 6.866 -5.086 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.821 6.139 -6.710 1.00 0.00 H new ATOM 1525 N ILE A 100 -16.057 2.091 -5.531 1.00 0.00 N ATOM 1526 CA ILE A 100 -16.210 0.625 -5.415 1.00 0.00 C ATOM 1527 C ILE A 100 -15.333 -0.104 -6.465 1.00 0.00 C ATOM 1528 O ILE A 100 -15.093 -1.306 -6.380 1.00 0.00 O ATOM 1529 CB ILE A 100 -17.716 0.235 -5.513 1.00 0.00 C ATOM 1530 CG1 ILE A 100 -18.617 1.215 -4.716 1.00 0.00 C ATOM 1531 CG2 ILE A 100 -17.952 -1.189 -4.980 1.00 0.00 C ATOM 1532 CD1 ILE A 100 -20.107 0.855 -4.628 1.00 0.00 C ATOM 0 H ILE A 100 -16.460 2.449 -6.397 1.00 0.00 H new ATOM 0 HA ILE A 100 -15.855 0.301 -4.437 1.00 0.00 H new ATOM 0 HB ILE A 100 -17.982 0.285 -6.569 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -18.224 1.293 -3.702 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -18.530 2.203 -5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -19.011 -1.436 -5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -17.368 -1.898 -5.567 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -17.644 -1.242 -3.936 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -20.631 1.614 -4.047 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -20.530 0.810 -5.631 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -20.219 -0.115 -4.143 1.00 0.00 H new ATOM 1544 N ALA A 101 -14.785 0.642 -7.431 1.00 0.00 N ATOM 1545 CA ALA A 101 -14.087 0.176 -8.637 1.00 0.00 C ATOM 1546 C ALA A 101 -12.660 -0.388 -8.424 1.00 0.00 C ATOM 1547 O ALA A 101 -11.977 -0.688 -9.406 1.00 0.00 O ATOM 1548 CB ALA A 101 -14.071 1.353 -9.625 1.00 0.00 C ATOM 0 H ALA A 101 -14.820 1.661 -7.388 1.00 0.00 H new ATOM 0 HA ALA A 101 -14.635 -0.687 -9.016 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -13.560 1.053 -10.540 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -15.095 1.645 -9.860 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -13.547 2.197 -9.177 1.00 0.00 H new ATOM 1554 N SER A 102 -12.190 -0.534 -7.176 1.00 0.00 N ATOM 1555 CA SER A 102 -10.816 -0.932 -6.818 1.00 0.00 C ATOM 1556 C SER A 102 -9.737 -0.057 -7.499 1.00 0.00 C ATOM 1557 O SER A 102 -8.955 -0.531 -8.330 1.00 0.00 O ATOM 1558 CB SER A 102 -10.622 -2.436 -7.063 1.00 0.00 C ATOM 1559 OG SER A 102 -9.385 -2.887 -6.536 1.00 0.00 O ATOM 0 H SER A 102 -12.776 -0.373 -6.357 1.00 0.00 H new ATOM 0 HA SER A 102 -10.679 -0.750 -5.752 1.00 0.00 H new ATOM 0 HB2 SER A 102 -11.440 -2.990 -6.603 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.661 -2.641 -8.133 1.00 0.00 H new ATOM 0 HG SER A 102 -9.288 -3.848 -6.705 1.00 0.00 H new ATOM 1565 N LYS A 103 -9.694 1.241 -7.156 1.00 0.00 N ATOM 1566 CA LYS A 103 -8.752 2.254 -7.690 1.00 0.00 C ATOM 1567 C LYS A 103 -8.610 3.428 -6.717 1.00 0.00 C ATOM 1568 O LYS A 103 -9.537 3.707 -5.969 1.00 0.00 O ATOM 1569 CB LYS A 103 -9.278 2.735 -9.059 1.00 0.00 C ATOM 1570 CG LYS A 103 -8.318 3.700 -9.776 1.00 0.00 C ATOM 1571 CD LYS A 103 -8.763 3.998 -11.213 1.00 0.00 C ATOM 1572 CE LYS A 103 -7.779 4.983 -11.860 1.00 0.00 C ATOM 1573 NZ LYS A 103 -8.161 5.305 -13.261 1.00 0.00 N ATOM 0 H LYS A 103 -10.339 1.635 -6.471 1.00 0.00 H new ATOM 0 HA LYS A 103 -7.763 1.812 -7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -9.455 1.869 -9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -10.240 3.229 -8.918 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.257 4.633 -9.215 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.316 3.270 -9.789 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.803 3.075 -11.791 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.769 4.419 -11.214 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -7.744 5.901 -11.273 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -6.776 4.557 -11.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.473 5.973 -13.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -8.170 4.433 -13.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -9.108 5.735 -13.273 1.00 0.00 H new ATOM 1587 N ASN A 104 -7.483 4.134 -6.701 1.00 0.00 N ATOM 1588 CA ASN A 104 -7.363 5.456 -6.072 1.00 0.00 C ATOM 1589 C ASN A 104 -6.526 6.422 -6.934 1.00 0.00 C ATOM 1590 O ASN A 104 -6.155 6.102 -8.066 1.00 0.00 O ATOM 1591 CB ASN A 104 -6.784 5.287 -4.653 1.00 0.00 C ATOM 1592 CG ASN A 104 -7.453 6.169 -3.611 1.00 0.00 C ATOM 1593 OD1 ASN A 104 -8.048 7.188 -3.914 1.00 0.00 O ATOM 1594 ND2 ASN A 104 -7.369 5.800 -2.354 1.00 0.00 N ATOM 0 H ASN A 104 -6.616 3.806 -7.127 1.00 0.00 H new ATOM 0 HA ASN A 104 -8.351 5.908 -5.993 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -6.883 4.244 -4.351 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -5.718 5.512 -4.676 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -7.803 6.367 -1.626 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -6.870 4.946 -2.105 1.00 0.00 H new ATOM 1601 N VAL A 105 -6.214 7.597 -6.386 1.00 0.00 N ATOM 1602 CA VAL A 105 -5.312 8.600 -6.969 1.00 0.00 C ATOM 1603 C VAL A 105 -4.209 8.911 -5.953 1.00 0.00 C ATOM 1604 O VAL A 105 -4.470 8.983 -4.752 1.00 0.00 O ATOM 1605 CB VAL A 105 -6.092 9.878 -7.361 1.00 0.00 C ATOM 1606 CG1 VAL A 105 -5.215 10.863 -8.145 1.00 0.00 C ATOM 1607 CG2 VAL A 105 -7.311 9.568 -8.245 1.00 0.00 C ATOM 0 H VAL A 105 -6.597 7.891 -5.487 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.862 8.208 -7.881 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.413 10.316 -6.416 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.800 11.746 -8.401 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.362 11.157 -7.533 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.859 10.386 -9.058 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -7.826 10.496 -8.494 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -6.981 9.079 -9.162 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.992 8.908 -7.707 1.00 0.00 H new ATOM 1617 N LEU A 106 -2.973 9.096 -6.422 1.00 0.00 N ATOM 1618 CA LEU A 106 -1.849 9.602 -5.626 1.00 0.00 C ATOM 1619 C LEU A 106 -2.225 10.887 -4.855 1.00 0.00 C ATOM 1620 O LEU A 106 -2.920 11.759 -5.386 1.00 0.00 O ATOM 1621 CB LEU A 106 -0.666 9.833 -6.594 1.00 0.00 C ATOM 1622 CG LEU A 106 0.638 10.348 -5.956 1.00 0.00 C ATOM 1623 CD1 LEU A 106 1.319 9.246 -5.157 1.00 0.00 C ATOM 1624 CD2 LEU A 106 1.595 10.835 -7.040 1.00 0.00 C ATOM 0 H LEU A 106 -2.718 8.894 -7.389 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.570 8.876 -4.862 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.451 8.894 -7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.980 10.546 -7.357 1.00 0.00 H new ATOM 0 HG LEU A 106 0.384 11.171 -5.288 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.238 9.632 -4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.651 8.905 -4.366 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.556 8.412 -5.817 1.00 0.00 H new ATOM 0 HD21 LEU A 106 2.514 11.197 -6.578 1.00 0.00 H new ATOM 0 HD22 LEU A 106 1.828 10.012 -7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 106 1.128 11.644 -7.601 1.00 0.00 H new ATOM 1636 N THR A 107 -1.750 11.021 -3.612 1.00 0.00 N ATOM 1637 CA THR A 107 -1.916 12.246 -2.796 1.00 0.00 C ATOM 1638 C THR A 107 -1.254 13.489 -3.418 1.00 0.00 C ATOM 1639 O THR A 107 -0.544 13.408 -4.419 1.00 0.00 O ATOM 1640 CB THR A 107 -1.408 12.065 -1.348 1.00 0.00 C ATOM 1641 OG1 THR A 107 -0.642 10.905 -1.159 1.00 0.00 O ATOM 1642 CG2 THR A 107 -2.568 11.981 -0.361 1.00 0.00 C ATOM 0 H THR A 107 -1.235 10.282 -3.134 1.00 0.00 H new ATOM 0 HA THR A 107 -2.993 12.415 -2.774 1.00 0.00 H new ATOM 0 HB THR A 107 -0.785 12.942 -1.170 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.487 10.768 -0.201 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.178 11.854 0.649 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.155 12.898 -0.410 1.00 0.00 H new ATOM 0 HG23 THR A 107 -3.201 11.131 -0.615 1.00 0.00 H new ATOM 1650 N THR A 108 -1.461 14.660 -2.805 1.00 0.00 N ATOM 1651 CA THR A 108 -0.898 15.961 -3.239 1.00 0.00 C ATOM 1652 C THR A 108 -0.048 16.661 -2.160 1.00 0.00 C ATOM 1653 O THR A 108 0.820 17.477 -2.477 1.00 0.00 O ATOM 1654 CB THR A 108 -2.032 16.865 -3.767 1.00 0.00 C ATOM 1655 OG1 THR A 108 -1.529 18.010 -4.423 1.00 0.00 O ATOM 1656 CG2 THR A 108 -2.998 17.347 -2.680 1.00 0.00 C ATOM 0 H THR A 108 -2.040 14.740 -1.969 1.00 0.00 H new ATOM 0 HA THR A 108 -0.197 15.759 -4.049 1.00 0.00 H new ATOM 0 HB THR A 108 -2.577 16.226 -4.462 1.00 0.00 H new ATOM 0 HG1 THR A 108 -2.276 18.557 -4.745 1.00 0.00 H new ATOM 0 HG21 THR A 108 -3.766 17.977 -3.129 1.00 0.00 H new ATOM 0 HG22 THR A 108 -3.467 16.487 -2.203 1.00 0.00 H new ATOM 0 HG23 THR A 108 -2.449 17.921 -1.934 1.00 0.00 H new ATOM 1664 N SER A 109 -0.241 16.301 -0.887 1.00 0.00 N ATOM 1665 CA SER A 109 0.514 16.805 0.274 1.00 0.00 C ATOM 1666 C SER A 109 1.808 16.010 0.505 1.00 0.00 C ATOM 1667 O SER A 109 2.034 14.974 -0.117 1.00 0.00 O ATOM 1668 CB SER A 109 -0.366 16.730 1.531 1.00 0.00 C ATOM 1669 OG SER A 109 -1.581 17.445 1.352 1.00 0.00 O ATOM 0 H SER A 109 -0.956 15.623 -0.622 1.00 0.00 H new ATOM 0 HA SER A 109 0.790 17.839 0.068 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.585 15.688 1.763 1.00 0.00 H new ATOM 0 HB3 SER A 109 0.177 17.139 2.383 1.00 0.00 H new ATOM 0 HG SER A 109 -2.122 17.379 2.166 1.00 0.00 H new ATOM 1675 N GLU A 110 2.663 16.473 1.420 1.00 0.00 N ATOM 1676 CA GLU A 110 3.959 15.853 1.737 1.00 0.00 C ATOM 1677 C GLU A 110 4.006 15.364 3.195 1.00 0.00 C ATOM 1678 O GLU A 110 4.023 16.162 4.134 1.00 0.00 O ATOM 1679 CB GLU A 110 5.116 16.808 1.400 1.00 0.00 C ATOM 1680 CG GLU A 110 5.020 17.359 -0.031 1.00 0.00 C ATOM 1681 CD GLU A 110 6.328 18.037 -0.484 1.00 0.00 C ATOM 1682 OE1 GLU A 110 6.755 19.035 0.147 1.00 0.00 O ATOM 1683 OE2 GLU A 110 6.922 17.597 -1.498 1.00 0.00 O ATOM 0 H GLU A 110 2.473 17.307 1.975 1.00 0.00 H new ATOM 0 HA GLU A 110 4.078 14.969 1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 110 5.117 17.638 2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 110 6.064 16.284 1.522 1.00 0.00 H new ATOM 0 HG2 GLU A 110 4.778 16.546 -0.716 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.202 18.077 -0.088 1.00 0.00 H new ATOM 1690 N PHE A 111 3.997 14.040 3.380 1.00 0.00 N ATOM 1691 CA PHE A 111 3.950 13.351 4.677 1.00 0.00 C ATOM 1692 C PHE A 111 5.328 12.767 5.020 1.00 0.00 C ATOM 1693 O PHE A 111 6.153 12.555 4.127 1.00 0.00 O ATOM 1694 CB PHE A 111 2.901 12.225 4.627 1.00 0.00 C ATOM 1695 CG PHE A 111 1.568 12.610 4.005 1.00 0.00 C ATOM 1696 CD1 PHE A 111 1.420 12.548 2.607 1.00 0.00 C ATOM 1697 CD2 PHE A 111 0.472 12.994 4.802 1.00 0.00 C ATOM 1698 CE1 PHE A 111 0.199 12.877 2.004 1.00 0.00 C ATOM 1699 CE2 PHE A 111 -0.758 13.320 4.196 1.00 0.00 C ATOM 1700 CZ PHE A 111 -0.894 13.257 2.797 1.00 0.00 C ATOM 0 H PHE A 111 4.023 13.389 2.595 1.00 0.00 H new ATOM 0 HA PHE A 111 3.673 14.069 5.449 1.00 0.00 H new ATOM 0 HB2 PHE A 111 3.317 11.387 4.067 1.00 0.00 H new ATOM 0 HB3 PHE A 111 2.722 11.872 5.642 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.255 12.244 1.993 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.574 13.039 5.876 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.099 12.838 0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -1.597 13.619 4.806 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.839 13.501 2.334 1.00 0.00 H new ATOM 1710 N TYR A 112 5.584 12.470 6.298 1.00 0.00 N ATOM 1711 CA TYR A 112 6.849 11.868 6.731 1.00 0.00 C ATOM 1712 C TYR A 112 6.935 10.402 6.281 1.00 0.00 C ATOM 1713 O TYR A 112 6.225 9.534 6.798 1.00 0.00 O ATOM 1714 CB TYR A 112 7.028 12.021 8.249 1.00 0.00 C ATOM 1715 CG TYR A 112 7.947 13.157 8.646 1.00 0.00 C ATOM 1716 CD1 TYR A 112 7.491 14.489 8.589 1.00 0.00 C ATOM 1717 CD2 TYR A 112 9.263 12.879 9.062 1.00 0.00 C ATOM 1718 CE1 TYR A 112 8.350 15.544 8.956 1.00 0.00 C ATOM 1719 CE2 TYR A 112 10.123 13.930 9.437 1.00 0.00 C ATOM 1720 CZ TYR A 112 9.669 15.266 9.384 1.00 0.00 C ATOM 1721 OH TYR A 112 10.506 16.277 9.747 1.00 0.00 O ATOM 0 H TYR A 112 4.924 12.639 7.057 1.00 0.00 H new ATOM 0 HA TYR A 112 7.673 12.398 6.254 1.00 0.00 H new ATOM 0 HB2 TYR A 112 6.051 12.180 8.706 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.422 11.089 8.654 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.483 14.701 8.264 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.614 11.858 9.094 1.00 0.00 H new ATOM 0 HE1 TYR A 112 8.001 16.565 8.910 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.129 13.714 9.765 1.00 0.00 H new ATOM 0 HH TYR A 112 11.372 15.905 10.015 1.00 0.00 H new ATOM 1731 N LEU A 113 7.801 10.133 5.304 1.00 0.00 N ATOM 1732 CA LEU A 113 8.078 8.792 4.785 1.00 0.00 C ATOM 1733 C LEU A 113 9.313 8.171 5.455 1.00 0.00 C ATOM 1734 O LEU A 113 10.419 8.717 5.409 1.00 0.00 O ATOM 1735 CB LEU A 113 8.202 8.837 3.252 1.00 0.00 C ATOM 1736 CG LEU A 113 6.978 8.278 2.511 1.00 0.00 C ATOM 1737 CD1 LEU A 113 6.798 6.777 2.718 1.00 0.00 C ATOM 1738 CD2 LEU A 113 5.672 8.997 2.848 1.00 0.00 C ATOM 0 H LEU A 113 8.344 10.860 4.839 1.00 0.00 H new ATOM 0 HA LEU A 113 7.240 8.140 5.033 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.363 9.869 2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 113 9.085 8.272 2.952 1.00 0.00 H new ATOM 0 HG LEU A 113 7.198 8.465 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.918 6.437 2.172 1.00 0.00 H new ATOM 0 HD12 LEU A 113 7.679 6.251 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.668 6.569 3.780 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.853 8.547 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.472 8.907 3.916 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.758 10.051 2.582 1.00 0.00 H new ATOM 1750 N SER A 114 9.106 7.012 6.076 1.00 0.00 N ATOM 1751 CA SER A 114 10.090 6.261 6.861 1.00 0.00 C ATOM 1752 C SER A 114 10.256 4.858 6.267 1.00 0.00 C ATOM 1753 O SER A 114 9.533 3.919 6.603 1.00 0.00 O ATOM 1754 CB SER A 114 9.650 6.250 8.330 1.00 0.00 C ATOM 1755 OG SER A 114 10.499 5.442 9.129 1.00 0.00 O ATOM 0 H SER A 114 8.200 6.544 6.045 1.00 0.00 H new ATOM 0 HA SER A 114 11.071 6.735 6.821 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.649 7.269 8.717 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.627 5.882 8.400 1.00 0.00 H new ATOM 0 HG SER A 114 9.987 5.068 9.876 1.00 0.00 H new ATOM 1761 N ASP A 115 11.173 4.720 5.309 1.00 0.00 N ATOM 1762 CA ASP A 115 11.557 3.428 4.732 1.00 0.00 C ATOM 1763 C ASP A 115 12.696 2.773 5.541 1.00 0.00 C ATOM 1764 O ASP A 115 13.486 3.454 6.201 1.00 0.00 O ATOM 1765 CB ASP A 115 12.025 3.635 3.286 1.00 0.00 C ATOM 1766 CG ASP A 115 10.947 4.260 2.391 1.00 0.00 C ATOM 1767 OD1 ASP A 115 9.927 3.585 2.138 1.00 0.00 O ATOM 1768 OD2 ASP A 115 11.140 5.401 1.912 1.00 0.00 O ATOM 0 H ASP A 115 11.677 5.510 4.906 1.00 0.00 H new ATOM 0 HA ASP A 115 10.688 2.770 4.760 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.907 4.275 3.284 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.326 2.675 2.866 1.00 0.00 H new ATOM 1773 N CYS A 116 12.845 1.452 5.417 1.00 0.00 N ATOM 1774 CA CYS A 116 14.057 0.724 5.800 1.00 0.00 C ATOM 1775 C CYS A 116 14.251 -0.441 4.830 1.00 0.00 C ATOM 1776 O CYS A 116 13.272 -1.069 4.431 1.00 0.00 O ATOM 1777 CB CYS A 116 13.950 0.246 7.257 1.00 0.00 C ATOM 1778 SG CYS A 116 14.802 1.341 8.426 1.00 0.00 S ATOM 0 H CYS A 116 12.114 0.848 5.041 1.00 0.00 H new ATOM 0 HA CYS A 116 14.928 1.376 5.741 1.00 0.00 H new ATOM 0 HB2 CYS A 116 12.898 0.175 7.534 1.00 0.00 H new ATOM 0 HB3 CYS A 116 14.369 -0.757 7.336 1.00 0.00 H new ATOM 1783 N ASN A 117 15.499 -0.722 4.446 1.00 0.00 N ATOM 1784 CA ASN A 117 15.868 -1.705 3.419 1.00 0.00 C ATOM 1785 C ASN A 117 17.012 -2.590 3.927 1.00 0.00 C ATOM 1786 O ASN A 117 18.008 -2.057 4.416 1.00 0.00 O ATOM 1787 CB ASN A 117 16.275 -0.956 2.134 1.00 0.00 C ATOM 1788 CG ASN A 117 15.124 -0.218 1.471 1.00 0.00 C ATOM 1789 OD1 ASN A 117 14.393 -0.764 0.663 1.00 0.00 O ATOM 1790 ND2 ASN A 117 14.932 1.048 1.765 1.00 0.00 N ATOM 0 H ASN A 117 16.309 -0.256 4.854 1.00 0.00 H new ATOM 0 HA ASN A 117 15.019 -2.351 3.198 1.00 0.00 H new ATOM 0 HB2 ASN A 117 17.064 -0.243 2.373 1.00 0.00 H new ATOM 0 HB3 ASN A 117 16.695 -1.669 1.425 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.176 1.566 1.318 1.00 0.00 H new ATOM 0 HD22 ASN A 117 15.539 1.513 2.440 1.00 0.00 H new ATOM 1797 N VAL A 118 16.879 -3.918 3.860 1.00 0.00 N ATOM 1798 CA VAL A 118 17.881 -4.860 4.410 1.00 0.00 C ATOM 1799 C VAL A 118 19.269 -4.683 3.772 1.00 0.00 C ATOM 1800 O VAL A 118 19.392 -4.409 2.576 1.00 0.00 O ATOM 1801 CB VAL A 118 17.386 -6.319 4.290 1.00 0.00 C ATOM 1802 CG1 VAL A 118 18.468 -7.397 4.463 1.00 0.00 C ATOM 1803 CG2 VAL A 118 16.341 -6.609 5.366 1.00 0.00 C ATOM 0 H VAL A 118 16.079 -4.378 3.426 1.00 0.00 H new ATOM 0 HA VAL A 118 17.996 -4.624 5.468 1.00 0.00 H new ATOM 0 HB VAL A 118 16.999 -6.379 3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 118 18.018 -8.384 4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 118 19.236 -7.268 3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 118 18.919 -7.304 5.451 1.00 0.00 H new ATOM 0 HG21 VAL A 118 15.999 -7.640 5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 118 16.783 -6.461 6.351 1.00 0.00 H new ATOM 0 HG23 VAL A 118 15.495 -5.933 5.243 1.00 0.00 H new ATOM 1813 N THR A 119 20.320 -4.895 4.571 1.00 0.00 N ATOM 1814 CA THR A 119 21.730 -4.934 4.147 1.00 0.00 C ATOM 1815 C THR A 119 22.451 -6.153 4.743 1.00 0.00 C ATOM 1816 O THR A 119 22.824 -6.176 5.918 1.00 0.00 O ATOM 1817 CB THR A 119 22.445 -3.596 4.413 1.00 0.00 C ATOM 1818 OG1 THR A 119 23.799 -3.661 4.021 1.00 0.00 O ATOM 1819 CG2 THR A 119 22.377 -3.070 5.848 1.00 0.00 C ATOM 0 H THR A 119 20.211 -5.051 5.573 1.00 0.00 H new ATOM 0 HA THR A 119 21.760 -5.064 3.065 1.00 0.00 H new ATOM 0 HB THR A 119 21.884 -2.885 3.806 1.00 0.00 H new ATOM 0 HG1 THR A 119 24.232 -2.800 4.198 1.00 0.00 H new ATOM 0 HG21 THR A 119 22.914 -2.124 5.915 1.00 0.00 H new ATOM 0 HG22 THR A 119 21.335 -2.916 6.130 1.00 0.00 H new ATOM 0 HG23 THR A 119 22.833 -3.794 6.523 1.00 0.00 H new ATOM 1827 N SER A 120 22.604 -7.202 3.927 1.00 0.00 N ATOM 1828 CA SER A 120 23.226 -8.498 4.267 1.00 0.00 C ATOM 1829 C SER A 120 24.075 -9.036 3.108 1.00 0.00 C ATOM 1830 O SER A 120 25.298 -9.230 3.302 1.00 0.00 O ATOM 1831 CB SER A 120 22.134 -9.491 4.675 1.00 0.00 C ATOM 1832 OG SER A 120 22.738 -10.643 5.240 1.00 0.00 O ATOM 1833 OXT SER A 120 23.533 -9.209 1.990 1.00 0.00 O ATOM 0 H SER A 120 22.282 -7.174 2.960 1.00 0.00 H new ATOM 0 HA SER A 120 23.905 -8.356 5.108 1.00 0.00 H new ATOM 0 HB2 SER A 120 21.458 -9.030 5.395 1.00 0.00 H new ATOM 0 HB3 SER A 120 21.535 -9.768 3.807 1.00 0.00 H new ATOM 0 HG SER A 120 22.042 -11.281 5.504 1.00 0.00 H new