USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 434 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 Set 1.1: A 3 TYR OH : rot 63:sc= -0.948! USER MOD Set 1.2: A 45 TYR OH : rot 66:sc= -0.307 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc=-0.00544 X(o=-0.0054,f=0.33) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -168:sc= 0.0881 (180deg=0.0599) USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0307) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 158:sc= 0 (180deg=-0.464) USER MOD Single : A 35 ASN : amide:sc= -0.46 K(o=-0.46,f=-2.5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.498 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0298 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.0274 USER MOD Single : A 55 THR OG1 : rot 180:sc= -1.15 USER MOD ----------------------------------------------------------------- ATOM 17 N THR A 2 4.457 -13.651 -0.927 1.00 0.00 N ATOM 18 CA THR A 2 4.999 -12.318 -1.165 1.00 0.00 C ATOM 19 C THR A 2 3.930 -11.383 -1.731 1.00 0.00 C ATOM 20 O THR A 2 3.275 -11.710 -2.722 1.00 0.00 O ATOM 21 CB THR A 2 6.188 -12.397 -2.126 1.00 0.00 C ATOM 22 OG1 THR A 2 6.783 -11.113 -2.283 1.00 0.00 O ATOM 23 CG2 THR A 2 5.813 -12.898 -3.502 1.00 0.00 C ATOM 0 HA THR A 2 5.335 -11.913 -0.210 1.00 0.00 H new ATOM 0 HB THR A 2 6.882 -13.108 -1.677 1.00 0.00 H new ATOM 0 HG1 THR A 2 7.543 -11.178 -2.898 1.00 0.00 H new ATOM 0 HG21 THR A 2 6.702 -12.930 -4.132 1.00 0.00 H new ATOM 0 HG22 THR A 2 5.389 -13.899 -3.422 1.00 0.00 H new ATOM 0 HG23 THR A 2 5.077 -12.227 -3.945 1.00 0.00 H new ATOM 31 N TYR A 3 3.765 -10.234 -1.098 1.00 0.00 N ATOM 32 CA TYR A 3 2.779 -9.256 -1.540 1.00 0.00 C ATOM 33 C TYR A 3 3.415 -8.213 -2.453 1.00 0.00 C ATOM 34 O TYR A 3 4.629 -8.008 -2.425 1.00 0.00 O ATOM 35 CB TYR A 3 2.149 -8.552 -0.341 1.00 0.00 C ATOM 36 CG TYR A 3 0.992 -9.293 0.284 1.00 0.00 C ATOM 37 CD1 TYR A 3 0.919 -10.679 0.256 1.00 0.00 C ATOM 38 CD2 TYR A 3 -0.033 -8.593 0.905 1.00 0.00 C ATOM 39 CE1 TYR A 3 -0.145 -11.349 0.831 1.00 0.00 C ATOM 40 CE2 TYR A 3 -1.101 -9.254 1.482 1.00 0.00 C ATOM 41 CZ TYR A 3 -1.152 -10.632 1.442 1.00 0.00 C ATOM 42 OH TYR A 3 -2.213 -11.294 2.015 1.00 0.00 O ATOM 0 H TYR A 3 4.300 -9.953 -0.276 1.00 0.00 H new ATOM 0 HA TYR A 3 2.009 -9.792 -2.094 1.00 0.00 H new ATOM 0 HB2 TYR A 3 2.916 -8.397 0.417 1.00 0.00 H new ATOM 0 HB3 TYR A 3 1.806 -7.566 -0.654 1.00 0.00 H new ATOM 0 HD1 TYR A 3 1.706 -11.243 -0.223 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.005 -7.514 0.938 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -0.187 -12.428 0.802 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.891 -8.695 1.961 1.00 0.00 H new ATOM 0 HH TYR A 3 -1.890 -11.855 2.751 1.00 0.00 H new ATOM 52 N LYS A 4 2.583 -7.546 -3.251 1.00 0.00 N ATOM 53 CA LYS A 4 3.060 -6.514 -4.167 1.00 0.00 C ATOM 54 C LYS A 4 2.167 -5.275 -4.109 1.00 0.00 C ATOM 55 O LYS A 4 0.943 -5.381 -4.057 1.00 0.00 O ATOM 56 CB LYS A 4 3.113 -7.057 -5.595 1.00 0.00 C ATOM 57 CG LYS A 4 4.134 -6.356 -6.476 1.00 0.00 C ATOM 58 CD LYS A 4 4.779 -7.320 -7.458 1.00 0.00 C ATOM 59 CE LYS A 4 6.215 -6.928 -7.763 1.00 0.00 C ATOM 60 NZ LYS A 4 6.669 -7.458 -9.079 1.00 0.00 N ATOM 0 H LYS A 4 1.576 -7.702 -3.281 1.00 0.00 H new ATOM 0 HA LYS A 4 4.065 -6.226 -3.859 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.345 -8.122 -5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.127 -6.960 -6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.649 -5.548 -7.023 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.904 -5.902 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.756 -8.329 -7.047 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.202 -7.339 -8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.303 -5.842 -7.759 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.869 -7.303 -6.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.653 -7.168 -9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.609 -8.496 -9.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.062 -7.080 -9.834 1.00 0.00 H new ATOM 74 N LEU A 5 2.792 -4.101 -4.110 1.00 0.00 N ATOM 75 CA LEU A 5 2.063 -2.837 -4.049 1.00 0.00 C ATOM 76 C LEU A 5 2.339 -1.970 -5.257 1.00 0.00 C ATOM 77 O LEU A 5 3.467 -1.898 -5.745 1.00 0.00 O ATOM 78 CB LEU A 5 2.459 -2.014 -2.822 1.00 0.00 C ATOM 79 CG LEU A 5 1.560 -0.801 -2.543 1.00 0.00 C ATOM 80 CD1 LEU A 5 0.091 -1.185 -2.593 1.00 0.00 C ATOM 81 CD2 LEU A 5 1.906 -0.169 -1.204 1.00 0.00 C ATOM 0 H LEU A 5 3.806 -3.998 -4.153 1.00 0.00 H new ATOM 0 HA LEU A 5 1.009 -3.112 -4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 5 2.450 -2.664 -1.947 1.00 0.00 H new ATOM 0 HB3 LEU A 5 3.484 -1.667 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 5 1.741 -0.064 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -0.522 -0.306 -2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -0.149 -1.576 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -0.111 -1.948 -1.842 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.256 0.688 -1.028 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.765 -0.901 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.945 0.159 -1.214 1.00 0.00 H new ATOM 93 N ILE A 6 1.313 -1.263 -5.692 1.00 0.00 N ATOM 94 CA ILE A 6 1.452 -0.338 -6.792 1.00 0.00 C ATOM 95 C ILE A 6 0.732 0.956 -6.438 1.00 0.00 C ATOM 96 O ILE A 6 -0.480 0.963 -6.231 1.00 0.00 O ATOM 97 CB ILE A 6 0.894 -0.913 -8.111 1.00 0.00 C ATOM 98 CG1 ILE A 6 1.632 -2.201 -8.482 1.00 0.00 C ATOM 99 CG2 ILE A 6 1.011 0.109 -9.233 1.00 0.00 C ATOM 100 CD1 ILE A 6 1.177 -3.408 -7.691 1.00 0.00 C ATOM 0 H ILE A 6 0.374 -1.314 -5.297 1.00 0.00 H new ATOM 0 HA ILE A 6 2.514 -0.152 -6.951 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.161 -1.145 -7.968 1.00 0.00 H new ATOM 0 HG12 ILE A 6 1.490 -2.398 -9.544 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.701 -2.056 -8.325 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.612 -0.315 -10.155 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.446 1.003 -8.971 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.059 0.372 -9.378 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.743 -4.284 -8.007 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.345 -3.231 -6.629 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.115 -3.579 -7.867 1.00 0.00 H new ATOM 112 N LEU A 7 1.485 2.046 -6.338 1.00 0.00 N ATOM 113 CA LEU A 7 0.904 3.330 -5.971 1.00 0.00 C ATOM 114 C LEU A 7 0.736 4.241 -7.176 1.00 0.00 C ATOM 115 O LEU A 7 1.632 4.360 -8.014 1.00 0.00 O ATOM 116 CB LEU A 7 1.761 4.023 -4.909 1.00 0.00 C ATOM 117 CG LEU A 7 2.015 3.201 -3.647 1.00 0.00 C ATOM 118 CD1 LEU A 7 3.233 2.311 -3.828 1.00 0.00 C ATOM 119 CD2 LEU A 7 2.196 4.116 -2.447 1.00 0.00 C ATOM 0 H LEU A 7 2.491 2.066 -6.505 1.00 0.00 H new ATOM 0 HA LEU A 7 -0.086 3.131 -5.561 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.721 4.285 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.276 4.957 -4.625 1.00 0.00 H new ATOM 0 HG LEU A 7 1.149 2.564 -3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 7 3.399 1.733 -2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.067 1.633 -4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.108 2.929 -4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.376 3.515 -1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.046 4.776 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.295 4.714 -2.306 1.00 0.00 H new ATOM 131 N ASN A 8 -0.421 4.890 -7.244 1.00 0.00 N ATOM 132 CA ASN A 8 -0.725 5.807 -8.335 1.00 0.00 C ATOM 133 C ASN A 8 -1.351 7.091 -7.796 1.00 0.00 C ATOM 134 O ASN A 8 -2.546 7.332 -7.963 1.00 0.00 O ATOM 135 CB ASN A 8 -1.667 5.141 -9.343 1.00 0.00 C ATOM 136 CG ASN A 8 -0.955 4.745 -10.623 1.00 0.00 C ATOM 137 OD1 ASN A 8 0.168 4.242 -10.591 1.00 0.00 O ATOM 138 ND2 ASN A 8 -1.606 4.973 -11.757 1.00 0.00 N ATOM 0 H ASN A 8 -1.166 4.797 -6.553 1.00 0.00 H new ATOM 0 HA ASN A 8 0.206 6.061 -8.841 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -2.113 4.256 -8.890 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -2.483 5.824 -9.580 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.177 4.729 -12.649 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -2.536 5.392 -11.736 1.00 0.00 H new ATOM 145 N LEU A 9 -0.531 7.911 -7.144 1.00 0.00 N ATOM 146 CA LEU A 9 -1.012 9.176 -6.575 1.00 0.00 C ATOM 147 C LEU A 9 -0.929 10.299 -7.606 1.00 0.00 C ATOM 148 O LEU A 9 -1.946 10.730 -8.149 1.00 0.00 O ATOM 149 CB LEU A 9 -0.214 9.575 -5.307 1.00 0.00 C ATOM 150 CG LEU A 9 -0.286 8.576 -4.148 1.00 0.00 C ATOM 151 CD1 LEU A 9 -1.719 8.424 -3.661 1.00 0.00 C ATOM 152 CD2 LEU A 9 0.282 7.228 -4.566 1.00 0.00 C ATOM 0 H LEU A 9 0.461 7.729 -6.995 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.053 9.024 -6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.832 9.711 -5.583 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.579 10.540 -4.956 1.00 0.00 H new ATOM 0 HG LEU A 9 0.317 8.962 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.750 7.710 -2.838 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.091 9.390 -3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.344 8.063 -4.477 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.222 6.532 -3.729 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.292 6.836 -5.406 1.00 0.00 H new ATOM 0 HD23 LEU A 9 1.324 7.349 -4.863 1.00 0.00 H new ATOM 213 N LYS A 13 4.498 5.519 -10.961 1.00 0.00 N ATOM 214 CA LYS A 13 4.051 4.340 -10.225 1.00 0.00 C ATOM 215 C LYS A 13 5.147 3.838 -9.289 1.00 0.00 C ATOM 216 O LYS A 13 6.306 3.699 -9.696 1.00 0.00 O ATOM 217 CB LYS A 13 3.647 3.221 -11.204 1.00 0.00 C ATOM 218 CG LYS A 13 4.794 2.753 -12.086 1.00 0.00 C ATOM 219 CD LYS A 13 4.331 2.471 -13.510 1.00 0.00 C ATOM 220 CE LYS A 13 3.515 1.187 -13.577 1.00 0.00 C ATOM 221 NZ LYS A 13 3.575 0.571 -14.936 1.00 0.00 N ATOM 0 HA LYS A 13 3.185 4.622 -9.627 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.263 2.372 -10.637 1.00 0.00 H new ATOM 0 HB3 LYS A 13 2.833 3.576 -11.836 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.575 3.513 -12.101 1.00 0.00 H new ATOM 0 HG3 LYS A 13 5.235 1.851 -11.661 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.731 3.306 -13.873 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.196 2.390 -14.168 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.889 0.478 -12.838 1.00 0.00 H new ATOM 0 HE3 LYS A 13 2.478 1.400 -13.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 3.009 -0.301 -14.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 3.195 1.239 -15.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.563 0.346 -15.172 1.00 0.00 H new ATOM 235 N GLU A 14 4.779 3.572 -8.049 1.00 0.00 N ATOM 236 CA GLU A 14 5.727 3.083 -7.053 1.00 0.00 C ATOM 237 C GLU A 14 5.453 1.619 -6.726 1.00 0.00 C ATOM 238 O GLU A 14 4.345 1.127 -6.932 1.00 0.00 O ATOM 239 CB GLU A 14 5.650 3.932 -5.782 1.00 0.00 C ATOM 240 CG GLU A 14 7.011 4.257 -5.186 1.00 0.00 C ATOM 241 CD GLU A 14 7.354 3.374 -4.002 1.00 0.00 C ATOM 242 OE1 GLU A 14 6.570 3.354 -3.030 1.00 0.00 O ATOM 243 OE2 GLU A 14 8.406 2.703 -4.047 1.00 0.00 O ATOM 0 H GLU A 14 3.827 3.686 -7.702 1.00 0.00 H new ATOM 0 HA GLU A 14 6.732 3.163 -7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.129 4.863 -6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.053 3.405 -5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.776 4.143 -5.954 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.027 5.301 -4.873 1.00 0.00 H new ATOM 250 N GLU A 15 6.470 0.923 -6.226 1.00 0.00 N ATOM 251 CA GLU A 15 6.328 -0.489 -5.888 1.00 0.00 C ATOM 252 C GLU A 15 6.601 -0.747 -4.407 1.00 0.00 C ATOM 253 O GLU A 15 7.258 0.045 -3.734 1.00 0.00 O ATOM 254 CB GLU A 15 7.273 -1.332 -6.745 1.00 0.00 C ATOM 255 CG GLU A 15 6.871 -1.390 -8.209 1.00 0.00 C ATOM 256 CD GLU A 15 7.815 -2.236 -9.041 1.00 0.00 C ATOM 257 OE1 GLU A 15 9.032 -1.977 -8.997 1.00 0.00 O ATOM 258 OE2 GLU A 15 7.334 -3.161 -9.730 1.00 0.00 O ATOM 0 H GLU A 15 7.396 1.311 -6.047 1.00 0.00 H new ATOM 0 HA GLU A 15 5.296 -0.775 -6.092 1.00 0.00 H new ATOM 0 HB2 GLU A 15 8.281 -0.925 -6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 15 7.307 -2.345 -6.345 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.862 -1.794 -8.289 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.843 -0.379 -8.614 1.00 0.00 H new ATOM 265 N ALA A 16 6.095 -1.877 -3.918 1.00 0.00 N ATOM 266 CA ALA A 16 6.274 -2.277 -2.532 1.00 0.00 C ATOM 267 C ALA A 16 5.910 -3.747 -2.381 1.00 0.00 C ATOM 268 O ALA A 16 4.982 -4.232 -3.020 1.00 0.00 O ATOM 269 CB ALA A 16 5.410 -1.419 -1.602 1.00 0.00 C ATOM 0 H ALA A 16 5.551 -2.537 -4.474 1.00 0.00 H new ATOM 0 HA ALA A 16 7.317 -2.130 -2.253 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.560 -1.736 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.694 -0.372 -1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.360 -1.538 -1.869 1.00 0.00 H new ATOM 275 N ILE A 17 6.642 -4.451 -1.540 1.00 0.00 N ATOM 276 CA ILE A 17 6.381 -5.867 -1.320 1.00 0.00 C ATOM 277 C ILE A 17 6.493 -6.236 0.145 1.00 0.00 C ATOM 278 O ILE A 17 7.343 -5.717 0.868 1.00 0.00 O ATOM 279 CB ILE A 17 7.340 -6.767 -2.118 1.00 0.00 C ATOM 280 CG1 ILE A 17 8.779 -6.242 -2.037 1.00 0.00 C ATOM 281 CG2 ILE A 17 6.887 -6.875 -3.568 1.00 0.00 C ATOM 282 CD1 ILE A 17 9.593 -6.852 -0.915 1.00 0.00 C ATOM 0 H ILE A 17 7.419 -4.072 -0.999 1.00 0.00 H new ATOM 0 HA ILE A 17 5.361 -6.034 -1.666 1.00 0.00 H new ATOM 0 HB ILE A 17 7.320 -7.763 -1.675 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.281 -6.438 -2.985 1.00 0.00 H new ATOM 0 HG13 ILE A 17 8.754 -5.160 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 17 7.577 -7.515 -4.118 1.00 0.00 H new ATOM 0 HG22 ILE A 17 5.886 -7.304 -3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 17 6.874 -5.883 -4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 17 10.598 -6.430 -0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 17 9.116 -6.634 0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 17 9.651 -7.932 -1.053 1.00 0.00 H new ATOM 294 N LYS A 18 5.623 -7.138 0.580 1.00 0.00 N ATOM 295 CA LYS A 18 5.620 -7.579 1.966 1.00 0.00 C ATOM 296 C LYS A 18 5.291 -9.064 2.074 1.00 0.00 C ATOM 297 O LYS A 18 4.139 -9.469 1.921 1.00 0.00 O ATOM 298 CB LYS A 18 4.617 -6.752 2.767 1.00 0.00 C ATOM 299 CG LYS A 18 4.673 -5.272 2.436 1.00 0.00 C ATOM 300 CD LYS A 18 5.915 -4.601 3.010 1.00 0.00 C ATOM 301 CE LYS A 18 6.270 -3.340 2.240 1.00 0.00 C ATOM 302 NZ LYS A 18 7.279 -2.514 2.960 1.00 0.00 N ATOM 0 H LYS A 18 4.913 -7.577 -0.006 1.00 0.00 H new ATOM 0 HA LYS A 18 6.619 -7.431 2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.611 -7.124 2.574 1.00 0.00 H new ATOM 0 HB3 LYS A 18 4.809 -6.889 3.831 1.00 0.00 H new ATOM 0 HG2 LYS A 18 4.659 -5.143 1.354 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.783 -4.780 2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 18 5.745 -4.354 4.058 1.00 0.00 H new ATOM 0 HD3 LYS A 18 6.754 -5.297 2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.657 -3.611 1.258 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.369 -2.750 2.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.344 -1.577 2.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 6.992 -2.404 3.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.206 -2.983 2.917 1.00 0.00 H new ATOM 316 N GLU A 19 6.313 -9.870 2.341 1.00 0.00 N ATOM 317 CA GLU A 19 6.135 -11.302 2.474 1.00 0.00 C ATOM 318 C GLU A 19 5.610 -11.668 3.858 1.00 0.00 C ATOM 319 O GLU A 19 6.331 -11.575 4.851 1.00 0.00 O ATOM 320 CB GLU A 19 7.459 -12.023 2.215 1.00 0.00 C ATOM 321 CG GLU A 19 7.325 -13.254 1.323 1.00 0.00 C ATOM 322 CD GLU A 19 7.543 -14.549 2.076 1.00 0.00 C ATOM 323 OE1 GLU A 19 8.705 -14.997 2.155 1.00 0.00 O ATOM 324 OE2 GLU A 19 6.554 -15.115 2.586 1.00 0.00 O ATOM 0 H GLU A 19 7.273 -9.550 2.469 1.00 0.00 H new ATOM 0 HA GLU A 19 5.399 -11.618 1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.158 -11.325 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.892 -12.323 3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.333 -13.264 0.871 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.046 -13.187 0.508 1.00 0.00 H new ATOM 331 N ALA A 20 4.346 -12.075 3.917 1.00 0.00 N ATOM 332 CA ALA A 20 3.720 -12.442 5.181 1.00 0.00 C ATOM 333 C ALA A 20 2.722 -13.581 4.988 1.00 0.00 C ATOM 334 O ALA A 20 2.494 -14.037 3.868 1.00 0.00 O ATOM 335 CB ALA A 20 3.039 -11.240 5.805 1.00 0.00 C ATOM 0 H ALA A 20 3.736 -12.159 3.104 1.00 0.00 H new ATOM 0 HA ALA A 20 4.502 -12.789 5.857 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.577 -11.532 6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.777 -10.459 5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.273 -10.863 5.127 1.00 0.00 H new ATOM 341 N VAL A 21 2.126 -14.027 6.088 1.00 0.00 N ATOM 342 CA VAL A 21 1.147 -15.102 6.043 1.00 0.00 C ATOM 343 C VAL A 21 -0.269 -14.553 5.897 1.00 0.00 C ATOM 344 O VAL A 21 -1.142 -15.204 5.320 1.00 0.00 O ATOM 345 CB VAL A 21 1.226 -15.987 7.307 1.00 0.00 C ATOM 346 CG1 VAL A 21 0.869 -15.177 8.546 1.00 0.00 C ATOM 347 CG2 VAL A 21 0.316 -17.194 7.173 1.00 0.00 C ATOM 0 H VAL A 21 2.305 -13.659 7.022 1.00 0.00 H new ATOM 0 HA VAL A 21 1.383 -15.711 5.171 1.00 0.00 H new ATOM 0 HB VAL A 21 2.250 -16.345 7.414 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.929 -15.815 9.428 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.567 -14.346 8.651 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -0.145 -14.789 8.448 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.386 -17.804 8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.713 -16.861 7.040 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.620 -17.785 6.309 1.00 0.00 H new ATOM 357 N ASP A 22 -0.487 -13.362 6.422 1.00 0.00 N ATOM 358 CA ASP A 22 -1.790 -12.724 6.352 1.00 0.00 C ATOM 359 C ASP A 22 -1.808 -11.660 5.255 1.00 0.00 C ATOM 360 O ASP A 22 -1.111 -11.786 4.248 1.00 0.00 O ATOM 361 CB ASP A 22 -2.138 -12.111 7.714 1.00 0.00 C ATOM 362 CG ASP A 22 -3.612 -12.237 8.045 1.00 0.00 C ATOM 363 OD1 ASP A 22 -4.179 -13.328 7.827 1.00 0.00 O ATOM 364 OD2 ASP A 22 -4.200 -11.244 8.523 1.00 0.00 O ATOM 0 H ASP A 22 0.225 -12.814 6.904 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.541 -13.473 6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.551 -12.601 8.491 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.856 -11.058 7.718 1.00 0.00 H new ATOM 369 N ALA A 23 -2.604 -10.617 5.452 1.00 0.00 N ATOM 370 CA ALA A 23 -2.708 -9.537 4.478 1.00 0.00 C ATOM 371 C ALA A 23 -2.737 -8.176 5.166 1.00 0.00 C ATOM 372 O ALA A 23 -2.087 -7.230 4.720 1.00 0.00 O ATOM 373 CB ALA A 23 -3.949 -9.721 3.616 1.00 0.00 C ATOM 0 H ALA A 23 -3.188 -10.496 6.279 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.826 -9.572 3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -4.014 -8.908 2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.887 -10.672 3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.836 -9.715 4.249 1.00 0.00 H new ATOM 379 N GLY A 24 -3.495 -8.086 6.257 1.00 0.00 N ATOM 380 CA GLY A 24 -3.593 -6.838 6.990 1.00 0.00 C ATOM 381 C GLY A 24 -2.233 -6.250 7.324 1.00 0.00 C ATOM 382 O GLY A 24 -2.079 -5.034 7.447 1.00 0.00 O ATOM 0 H GLY A 24 -4.042 -8.855 6.645 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.161 -6.118 6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.149 -7.005 7.912 1.00 0.00 H new ATOM 386 N ILE A 25 -1.242 -7.122 7.465 1.00 0.00 N ATOM 387 CA ILE A 25 0.113 -6.694 7.783 1.00 0.00 C ATOM 388 C ILE A 25 0.724 -5.921 6.617 1.00 0.00 C ATOM 389 O ILE A 25 1.414 -4.917 6.815 1.00 0.00 O ATOM 390 CB ILE A 25 1.013 -7.901 8.138 1.00 0.00 C ATOM 391 CG1 ILE A 25 0.627 -8.473 9.505 1.00 0.00 C ATOM 392 CG2 ILE A 25 2.486 -7.506 8.131 1.00 0.00 C ATOM 393 CD1 ILE A 25 0.653 -7.449 10.620 1.00 0.00 C ATOM 0 H ILE A 25 -1.352 -8.131 7.364 1.00 0.00 H new ATOM 0 HA ILE A 25 0.054 -6.039 8.652 1.00 0.00 H new ATOM 0 HB ILE A 25 0.861 -8.668 7.379 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.373 -8.902 9.441 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.308 -9.287 9.754 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.096 -8.373 8.384 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.761 -7.145 7.140 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.655 -6.717 8.864 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.369 -7.925 11.558 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.658 -7.037 10.712 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.049 -6.647 10.393 1.00 0.00 H new ATOM 405 N ALA A 26 0.476 -6.391 5.399 1.00 0.00 N ATOM 406 CA ALA A 26 1.017 -5.733 4.222 1.00 0.00 C ATOM 407 C ALA A 26 0.395 -4.361 4.012 1.00 0.00 C ATOM 408 O ALA A 26 1.109 -3.381 3.806 1.00 0.00 O ATOM 409 CB ALA A 26 0.838 -6.582 2.979 1.00 0.00 C ATOM 0 H ALA A 26 -0.091 -7.217 5.205 1.00 0.00 H new ATOM 0 HA ALA A 26 2.085 -5.601 4.398 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.254 -6.059 2.118 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.355 -7.533 3.110 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.224 -6.766 2.814 1.00 0.00 H new ATOM 415 N GLU A 27 -0.935 -4.282 4.068 1.00 0.00 N ATOM 416 CA GLU A 27 -1.608 -2.996 3.880 1.00 0.00 C ATOM 417 C GLU A 27 -1.007 -1.965 4.821 1.00 0.00 C ATOM 418 O GLU A 27 -0.890 -0.789 4.480 1.00 0.00 O ATOM 419 CB GLU A 27 -3.119 -3.089 4.112 1.00 0.00 C ATOM 420 CG GLU A 27 -3.484 -3.664 5.460 1.00 0.00 C ATOM 421 CD GLU A 27 -4.955 -4.021 5.562 1.00 0.00 C ATOM 422 OE1 GLU A 27 -5.420 -4.855 4.757 1.00 0.00 O ATOM 423 OE2 GLU A 27 -5.640 -3.467 6.447 1.00 0.00 O ATOM 0 H GLU A 27 -1.556 -5.073 4.238 1.00 0.00 H new ATOM 0 HA GLU A 27 -1.457 -2.695 2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.555 -2.094 4.019 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.562 -3.706 3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.884 -4.555 5.646 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -3.234 -2.943 6.238 1.00 0.00 H new ATOM 430 N LYS A 28 -0.600 -2.424 6.005 1.00 0.00 N ATOM 431 CA LYS A 28 0.018 -1.542 6.985 1.00 0.00 C ATOM 432 C LYS A 28 1.313 -0.972 6.422 1.00 0.00 C ATOM 433 O LYS A 28 1.563 0.229 6.502 1.00 0.00 O ATOM 434 CB LYS A 28 0.301 -2.288 8.290 1.00 0.00 C ATOM 435 CG LYS A 28 -0.953 -2.656 9.056 1.00 0.00 C ATOM 436 CD LYS A 28 -0.645 -3.595 10.210 1.00 0.00 C ATOM 437 CE LYS A 28 -1.819 -4.513 10.513 1.00 0.00 C ATOM 438 NZ LYS A 28 -1.759 -5.051 11.900 1.00 0.00 N ATOM 0 H LYS A 28 -0.688 -3.395 6.304 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.674 -0.728 7.200 1.00 0.00 H new ATOM 0 HB2 LYS A 28 0.861 -3.196 8.067 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.936 -1.669 8.923 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.426 -1.751 9.438 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.667 -3.129 8.382 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.233 -4.194 9.968 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -0.399 -3.013 11.098 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.752 -3.967 10.376 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -1.826 -5.340 9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -2.518 -5.750 12.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.837 -5.507 12.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -1.880 -4.273 12.580 1.00 0.00 H new ATOM 452 N TYR A 29 2.129 -1.842 5.837 1.00 0.00 N ATOM 453 CA TYR A 29 3.393 -1.410 5.247 1.00 0.00 C ATOM 454 C TYR A 29 3.167 -0.664 3.963 1.00 0.00 C ATOM 455 O TYR A 29 3.902 0.257 3.607 1.00 0.00 O ATOM 456 CB TYR A 29 4.293 -2.590 4.936 1.00 0.00 C ATOM 457 CG TYR A 29 5.386 -2.726 5.965 1.00 0.00 C ATOM 458 CD1 TYR A 29 6.047 -1.585 6.398 1.00 0.00 C ATOM 459 CD2 TYR A 29 5.754 -3.948 6.510 1.00 0.00 C ATOM 460 CE1 TYR A 29 7.036 -1.644 7.336 1.00 0.00 C ATOM 461 CE2 TYR A 29 6.755 -4.021 7.458 1.00 0.00 C ATOM 462 CZ TYR A 29 7.395 -2.865 7.870 1.00 0.00 C ATOM 463 OH TYR A 29 8.394 -2.932 8.818 1.00 0.00 O ATOM 0 H TYR A 29 1.942 -2.842 5.758 1.00 0.00 H new ATOM 0 HA TYR A 29 3.867 -0.762 5.984 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.701 -3.505 4.907 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.734 -2.464 3.947 1.00 0.00 H new ATOM 0 HD1 TYR A 29 5.772 -0.627 5.982 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.253 -4.850 6.190 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.534 -0.742 7.658 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.037 -4.976 7.876 1.00 0.00 H new ATOM 0 HH TYR A 29 8.523 -3.864 9.092 1.00 0.00 H new ATOM 473 N PHE A 30 2.144 -1.089 3.277 1.00 0.00 N ATOM 474 CA PHE A 30 1.774 -0.512 2.024 1.00 0.00 C ATOM 475 C PHE A 30 1.312 0.904 2.275 1.00 0.00 C ATOM 476 O PHE A 30 1.668 1.829 1.548 1.00 0.00 O ATOM 477 CB PHE A 30 0.682 -1.379 1.403 1.00 0.00 C ATOM 478 CG PHE A 30 1.164 -2.740 0.948 1.00 0.00 C ATOM 479 CD1 PHE A 30 2.506 -3.012 0.729 1.00 0.00 C ATOM 480 CD2 PHE A 30 0.254 -3.732 0.692 1.00 0.00 C ATOM 481 CE1 PHE A 30 2.915 -4.242 0.267 1.00 0.00 C ATOM 482 CE2 PHE A 30 0.651 -4.966 0.218 1.00 0.00 C ATOM 483 CZ PHE A 30 1.988 -5.217 0.003 1.00 0.00 C ATOM 0 H PHE A 30 1.540 -1.854 3.578 1.00 0.00 H new ATOM 0 HA PHE A 30 2.610 -0.474 1.326 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.119 -1.512 2.130 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.254 -0.852 0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.242 -2.246 0.924 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.795 -3.544 0.865 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.966 -4.439 0.112 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.084 -5.732 0.017 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.305 -6.179 -0.372 1.00 0.00 H new ATOM 493 N LYS A 31 0.562 1.069 3.358 1.00 0.00 N ATOM 494 CA LYS A 31 0.100 2.378 3.762 1.00 0.00 C ATOM 495 C LYS A 31 1.248 3.110 4.450 1.00 0.00 C ATOM 496 O LYS A 31 1.258 4.338 4.517 1.00 0.00 O ATOM 497 CB LYS A 31 -1.121 2.285 4.686 1.00 0.00 C ATOM 498 CG LYS A 31 -0.818 1.716 6.065 1.00 0.00 C ATOM 499 CD LYS A 31 -2.079 1.591 6.905 1.00 0.00 C ATOM 500 CE LYS A 31 -2.302 2.824 7.766 1.00 0.00 C ATOM 501 NZ LYS A 31 -3.056 3.882 7.039 1.00 0.00 N ATOM 0 H LYS A 31 0.264 0.308 3.968 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.215 2.933 2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.551 3.280 4.802 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.878 1.664 4.207 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.350 0.737 5.961 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.101 2.359 6.576 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -2.939 1.442 6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.007 0.710 7.542 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.848 2.543 8.667 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.339 3.221 8.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -3.506 4.521 7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -2.402 4.424 6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -3.787 3.441 6.445 1.00 0.00 H new ATOM 515 N LEU A 32 2.235 2.347 4.945 1.00 0.00 N ATOM 516 CA LEU A 32 3.395 2.956 5.602 1.00 0.00 C ATOM 517 C LEU A 32 4.088 3.917 4.640 1.00 0.00 C ATOM 518 O LEU A 32 4.243 5.104 4.933 1.00 0.00 O ATOM 519 CB LEU A 32 4.388 1.896 6.097 1.00 0.00 C ATOM 520 CG LEU A 32 4.539 1.808 7.619 1.00 0.00 C ATOM 521 CD1 LEU A 32 4.786 3.186 8.205 1.00 0.00 C ATOM 522 CD2 LEU A 32 3.309 1.176 8.251 1.00 0.00 C ATOM 0 H LEU A 32 2.252 1.328 4.903 1.00 0.00 H new ATOM 0 HA LEU A 32 3.038 3.505 6.473 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.073 0.922 5.722 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.365 2.105 5.662 1.00 0.00 H new ATOM 0 HG LEU A 32 5.398 1.174 7.840 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.891 3.108 9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.699 3.603 7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.945 3.838 7.968 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.441 1.125 9.332 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.431 1.779 8.021 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.172 0.170 7.854 1.00 0.00 H new ATOM 534 N ILE A 33 4.486 3.400 3.478 1.00 0.00 N ATOM 535 CA ILE A 33 5.143 4.220 2.473 1.00 0.00 C ATOM 536 C ILE A 33 4.123 5.004 1.655 1.00 0.00 C ATOM 537 O ILE A 33 4.373 6.146 1.276 1.00 0.00 O ATOM 538 CB ILE A 33 6.016 3.370 1.523 1.00 0.00 C ATOM 539 CG1 ILE A 33 6.751 4.264 0.514 1.00 0.00 C ATOM 540 CG2 ILE A 33 5.163 2.339 0.797 1.00 0.00 C ATOM 541 CD1 ILE A 33 7.274 5.560 1.101 1.00 0.00 C ATOM 0 H ILE A 33 4.364 2.422 3.215 1.00 0.00 H new ATOM 0 HA ILE A 33 5.789 4.917 3.008 1.00 0.00 H new ATOM 0 HB ILE A 33 6.761 2.846 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 33 7.586 3.706 0.092 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.075 4.497 -0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.793 1.749 0.132 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.688 1.682 1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.396 2.848 0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.780 6.133 0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.442 6.142 1.498 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.977 5.338 1.904 1.00 0.00 H new ATOM 553 N ALA A 34 2.967 4.397 1.391 1.00 0.00 N ATOM 554 CA ALA A 34 1.926 5.065 0.627 1.00 0.00 C ATOM 555 C ALA A 34 1.455 6.317 1.355 1.00 0.00 C ATOM 556 O ALA A 34 1.102 7.317 0.730 1.00 0.00 O ATOM 557 CB ALA A 34 0.765 4.120 0.372 1.00 0.00 C ATOM 0 H ALA A 34 2.733 3.452 1.694 1.00 0.00 H new ATOM 0 HA ALA A 34 2.339 5.364 -0.336 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.005 4.636 -0.201 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.117 3.255 -0.190 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.349 3.790 1.324 1.00 0.00 H new ATOM 563 N ASN A 35 1.469 6.260 2.684 1.00 0.00 N ATOM 564 CA ASN A 35 1.062 7.397 3.498 1.00 0.00 C ATOM 565 C ASN A 35 2.192 8.418 3.561 1.00 0.00 C ATOM 566 O ASN A 35 1.952 9.623 3.641 1.00 0.00 O ATOM 567 CB ASN A 35 0.684 6.945 4.909 1.00 0.00 C ATOM 568 CG ASN A 35 0.193 8.089 5.772 1.00 0.00 C ATOM 569 OD1 ASN A 35 0.937 9.026 6.063 1.00 0.00 O ATOM 570 ND2 ASN A 35 -1.067 8.021 6.187 1.00 0.00 N ATOM 0 H ASN A 35 1.757 5.440 3.217 1.00 0.00 H new ATOM 0 HA ASN A 35 0.187 7.857 3.040 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.092 6.182 4.847 1.00 0.00 H new ATOM 0 HB3 ASN A 35 1.550 6.482 5.383 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.453 8.764 6.770 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.649 7.226 5.922 1.00 0.00 H new ATOM 577 N ALA A 36 3.426 7.922 3.513 1.00 0.00 N ATOM 578 CA ALA A 36 4.596 8.785 3.550 1.00 0.00 C ATOM 579 C ALA A 36 4.818 9.450 2.195 1.00 0.00 C ATOM 580 O ALA A 36 5.201 10.617 2.120 1.00 0.00 O ATOM 581 CB ALA A 36 5.828 7.990 3.960 1.00 0.00 C ATOM 0 H ALA A 36 3.638 6.926 3.448 1.00 0.00 H new ATOM 0 HA ALA A 36 4.423 9.566 4.290 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.696 8.650 3.983 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.672 7.561 4.950 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.000 7.189 3.241 1.00 0.00 H new ATOM 587 N LYS A 37 4.570 8.698 1.125 1.00 0.00 N ATOM 588 CA LYS A 37 4.739 9.220 -0.228 1.00 0.00 C ATOM 589 C LYS A 37 3.734 10.336 -0.501 1.00 0.00 C ATOM 590 O LYS A 37 4.109 11.451 -0.863 1.00 0.00 O ATOM 591 CB LYS A 37 4.564 8.114 -1.275 1.00 0.00 C ATOM 592 CG LYS A 37 5.656 7.059 -1.239 1.00 0.00 C ATOM 593 CD LYS A 37 6.104 6.666 -2.639 1.00 0.00 C ATOM 594 CE LYS A 37 7.554 7.046 -2.891 1.00 0.00 C ATOM 595 NZ LYS A 37 7.670 8.297 -3.691 1.00 0.00 N ATOM 0 H LYS A 37 4.253 7.730 1.168 1.00 0.00 H new ATOM 0 HA LYS A 37 5.752 9.617 -0.302 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.599 7.631 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.540 8.566 -2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 37 6.509 7.437 -0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.293 6.177 -0.712 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.981 5.591 -2.773 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.466 7.154 -3.376 1.00 0.00 H new ATOM 0 HE2 LYS A 37 8.066 7.176 -1.938 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.057 6.233 -3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.674 8.521 -3.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 7.204 8.165 -4.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 7.213 9.079 -3.180 1.00 0.00 H new ATOM 609 N THR A 38 2.455 10.019 -0.324 1.00 0.00 N ATOM 610 CA THR A 38 1.382 10.984 -0.549 1.00 0.00 C ATOM 611 C THR A 38 0.103 10.537 0.156 1.00 0.00 C ATOM 612 O THR A 38 0.139 9.680 1.040 1.00 0.00 O ATOM 613 CB THR A 38 1.128 11.154 -2.050 1.00 0.00 C ATOM 614 OG1 THR A 38 2.171 10.568 -2.809 1.00 0.00 O ATOM 615 CG2 THR A 38 1.011 12.603 -2.474 1.00 0.00 C ATOM 0 H THR A 38 2.135 9.098 -0.024 1.00 0.00 H new ATOM 0 HA THR A 38 1.688 11.944 -0.134 1.00 0.00 H new ATOM 0 HB THR A 38 0.177 10.656 -2.239 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.987 10.687 -3.764 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.832 12.655 -3.548 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.181 13.071 -1.945 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.936 13.128 -2.235 1.00 0.00 H new ATOM 623 N VAL A 39 -1.028 11.120 -0.236 1.00 0.00 N ATOM 624 CA VAL A 39 -2.312 10.773 0.367 1.00 0.00 C ATOM 625 C VAL A 39 -3.426 10.776 -0.687 1.00 0.00 C ATOM 626 O VAL A 39 -3.169 11.040 -1.861 1.00 0.00 O ATOM 627 CB VAL A 39 -2.687 11.749 1.506 1.00 0.00 C ATOM 628 CG1 VAL A 39 -3.538 11.051 2.556 1.00 0.00 C ATOM 629 CG2 VAL A 39 -1.437 12.346 2.142 1.00 0.00 C ATOM 0 H VAL A 39 -1.081 11.831 -0.965 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.209 9.772 0.785 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.272 12.561 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.790 11.756 3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.454 10.681 2.095 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.981 10.215 2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.726 13.029 2.941 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.821 11.547 2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.869 12.890 1.387 1.00 0.00 H new ATOM 639 N GLU A 40 -4.662 10.487 -0.268 1.00 0.00 N ATOM 640 CA GLU A 40 -5.795 10.466 -1.190 1.00 0.00 C ATOM 641 C GLU A 40 -5.620 9.385 -2.251 1.00 0.00 C ATOM 642 O GLU A 40 -4.616 9.355 -2.962 1.00 0.00 O ATOM 643 CB GLU A 40 -5.962 11.830 -1.865 1.00 0.00 C ATOM 644 CG GLU A 40 -5.654 13.008 -0.954 1.00 0.00 C ATOM 645 CD GLU A 40 -6.179 14.322 -1.499 1.00 0.00 C ATOM 646 OE1 GLU A 40 -6.384 14.416 -2.728 1.00 0.00 O ATOM 647 OE2 GLU A 40 -6.387 15.257 -0.697 1.00 0.00 O ATOM 0 H GLU A 40 -4.900 10.266 0.699 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.690 10.241 -0.611 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.309 11.876 -2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -6.985 11.922 -2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -6.091 12.826 0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.575 13.082 -0.815 1.00 0.00 H new ATOM 654 N GLY A 41 -6.604 8.497 -2.353 1.00 0.00 N ATOM 655 CA GLY A 41 -6.535 7.426 -3.335 1.00 0.00 C ATOM 656 C GLY A 41 -7.399 6.236 -2.967 1.00 0.00 C ATOM 657 O GLY A 41 -7.578 5.931 -1.788 1.00 0.00 O ATOM 0 H GLY A 41 -7.445 8.498 -1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.847 7.809 -4.307 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -5.500 7.100 -3.438 1.00 0.00 H new ATOM 661 N VAL A 42 -7.928 5.556 -3.981 1.00 0.00 N ATOM 662 CA VAL A 42 -8.768 4.386 -3.755 1.00 0.00 C ATOM 663 C VAL A 42 -7.907 3.170 -3.436 1.00 0.00 C ATOM 664 O VAL A 42 -7.268 2.597 -4.318 1.00 0.00 O ATOM 665 CB VAL A 42 -9.663 4.076 -4.972 1.00 0.00 C ATOM 666 CG1 VAL A 42 -10.849 5.025 -5.016 1.00 0.00 C ATOM 667 CG2 VAL A 42 -8.867 4.149 -6.267 1.00 0.00 C ATOM 0 H VAL A 42 -7.790 5.795 -4.963 1.00 0.00 H new ATOM 0 HA VAL A 42 -9.415 4.613 -2.907 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.039 3.058 -4.866 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.470 4.792 -5.881 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.438 4.913 -4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.491 6.052 -5.093 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.522 3.926 -7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.453 5.151 -6.384 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.055 3.422 -6.236 1.00 0.00 H new ATOM 677 N TRP A 43 -7.884 2.796 -2.164 1.00 0.00 N ATOM 678 CA TRP A 43 -7.099 1.674 -1.702 1.00 0.00 C ATOM 679 C TRP A 43 -7.802 0.349 -1.991 1.00 0.00 C ATOM 680 O TRP A 43 -8.915 0.110 -1.522 1.00 0.00 O ATOM 681 CB TRP A 43 -6.871 1.845 -0.206 1.00 0.00 C ATOM 682 CG TRP A 43 -5.537 2.448 0.136 1.00 0.00 C ATOM 683 CD1 TRP A 43 -5.252 3.783 0.270 1.00 0.00 C ATOM 684 CD2 TRP A 43 -4.303 1.752 0.384 1.00 0.00 C ATOM 685 NE1 TRP A 43 -3.929 3.953 0.589 1.00 0.00 N ATOM 686 CE2 TRP A 43 -3.327 2.727 0.666 1.00 0.00 C ATOM 687 CE3 TRP A 43 -3.920 0.403 0.400 1.00 0.00 C ATOM 688 CZ2 TRP A 43 -2.009 2.397 0.958 1.00 0.00 C ATOM 689 CZ3 TRP A 43 -2.606 0.092 0.690 1.00 0.00 C ATOM 690 CH2 TRP A 43 -1.672 1.082 0.965 1.00 0.00 C ATOM 0 H TRP A 43 -8.411 3.266 -1.428 1.00 0.00 H new ATOM 0 HA TRP A 43 -6.146 1.650 -2.231 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -7.661 2.475 0.203 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -6.956 0.873 0.279 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -5.966 4.584 0.143 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -3.468 4.850 0.744 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -4.638 -0.376 0.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -1.277 3.162 1.172 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.298 -0.943 0.703 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -0.654 0.799 1.190 1.00 0.00 H new ATOM 701 N THR A 44 -7.145 -0.507 -2.769 1.00 0.00 N ATOM 702 CA THR A 44 -7.709 -1.808 -3.122 1.00 0.00 C ATOM 703 C THR A 44 -6.634 -2.891 -3.111 1.00 0.00 C ATOM 704 O THR A 44 -5.446 -2.603 -3.253 1.00 0.00 O ATOM 705 CB THR A 44 -8.369 -1.742 -4.500 1.00 0.00 C ATOM 706 OG1 THR A 44 -7.768 -0.737 -5.296 1.00 0.00 O ATOM 707 CG2 THR A 44 -9.853 -1.454 -4.439 1.00 0.00 C ATOM 0 H THR A 44 -6.224 -0.324 -3.167 1.00 0.00 H new ATOM 0 HA THR A 44 -8.462 -2.064 -2.377 1.00 0.00 H new ATOM 0 HB THR A 44 -8.225 -2.730 -4.937 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.203 -0.712 -6.174 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.259 -1.421 -5.450 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.353 -2.240 -3.873 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.017 -0.494 -3.950 1.00 0.00 H new ATOM 715 N TYR A 45 -7.060 -4.139 -2.943 1.00 0.00 N ATOM 716 CA TYR A 45 -6.133 -5.269 -2.918 1.00 0.00 C ATOM 717 C TYR A 45 -6.696 -6.456 -3.696 1.00 0.00 C ATOM 718 O TYR A 45 -7.897 -6.724 -3.659 1.00 0.00 O ATOM 719 CB TYR A 45 -5.818 -5.675 -1.469 1.00 0.00 C ATOM 720 CG TYR A 45 -5.206 -7.052 -1.326 1.00 0.00 C ATOM 721 CD1 TYR A 45 -3.880 -7.285 -1.669 1.00 0.00 C ATOM 722 CD2 TYR A 45 -5.956 -8.117 -0.842 1.00 0.00 C ATOM 723 CE1 TYR A 45 -3.320 -8.542 -1.533 1.00 0.00 C ATOM 724 CE2 TYR A 45 -5.402 -9.376 -0.704 1.00 0.00 C ATOM 725 CZ TYR A 45 -4.085 -9.583 -1.051 1.00 0.00 C ATOM 726 OH TYR A 45 -3.529 -10.835 -0.912 1.00 0.00 O ATOM 0 H TYR A 45 -8.040 -4.395 -2.822 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.207 -4.957 -3.401 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.137 -4.941 -1.039 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -6.738 -5.637 -0.885 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.278 -6.472 -2.047 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.989 -7.958 -0.569 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -2.288 -8.708 -1.803 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.999 -10.193 -0.326 1.00 0.00 H new ATOM 0 HH TYR A 45 -2.838 -10.811 -0.217 1.00 0.00 H new ATOM 736 N LYS A 46 -5.816 -7.164 -4.395 1.00 0.00 N ATOM 737 CA LYS A 46 -6.218 -8.325 -5.181 1.00 0.00 C ATOM 738 C LYS A 46 -5.736 -9.614 -4.524 1.00 0.00 C ATOM 739 O LYS A 46 -4.596 -9.702 -4.069 1.00 0.00 O ATOM 740 CB LYS A 46 -5.661 -8.223 -6.601 1.00 0.00 C ATOM 741 CG LYS A 46 -5.905 -6.872 -7.254 1.00 0.00 C ATOM 742 CD LYS A 46 -4.827 -6.541 -8.273 1.00 0.00 C ATOM 743 CE LYS A 46 -5.285 -6.849 -9.689 1.00 0.00 C ATOM 744 NZ LYS A 46 -4.922 -5.761 -10.639 1.00 0.00 N ATOM 0 H LYS A 46 -4.819 -6.954 -4.434 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.307 -8.345 -5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.589 -8.417 -6.577 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.112 -9.002 -7.216 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.880 -6.874 -7.742 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.933 -6.097 -6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.564 -5.486 -8.196 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.926 -7.111 -8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.836 -7.785 -10.020 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.365 -6.993 -9.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.252 -6.009 -11.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.371 -4.873 -10.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.889 -5.640 -10.650 1.00 0.00 H new ATOM 758 N ASP A 47 -6.612 -10.612 -4.478 1.00 0.00 N ATOM 759 CA ASP A 47 -6.274 -11.898 -3.876 1.00 0.00 C ATOM 760 C ASP A 47 -5.728 -12.862 -4.923 1.00 0.00 C ATOM 761 O ASP A 47 -4.929 -13.740 -4.611 1.00 0.00 O ATOM 762 CB ASP A 47 -7.503 -12.508 -3.197 1.00 0.00 C ATOM 763 CG ASP A 47 -7.189 -13.818 -2.500 1.00 0.00 C ATOM 764 OD1 ASP A 47 -6.222 -13.854 -1.711 1.00 0.00 O ATOM 765 OD2 ASP A 47 -7.912 -14.801 -2.744 1.00 0.00 O ATOM 0 H ASP A 47 -7.560 -10.556 -4.850 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.501 -11.727 -3.127 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -7.902 -11.800 -2.471 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.281 -12.674 -3.942 1.00 0.00 H new ATOM 770 N GLU A 48 -6.169 -12.689 -6.165 1.00 0.00 N ATOM 771 CA GLU A 48 -5.730 -13.541 -7.262 1.00 0.00 C ATOM 772 C GLU A 48 -4.209 -13.614 -7.328 1.00 0.00 C ATOM 773 O GLU A 48 -3.644 -14.642 -7.723 1.00 0.00 O ATOM 774 CB GLU A 48 -6.284 -13.021 -8.590 1.00 0.00 C ATOM 775 CG GLU A 48 -6.126 -14.007 -9.740 1.00 0.00 C ATOM 776 CD GLU A 48 -7.324 -14.009 -10.669 1.00 0.00 C ATOM 777 OE1 GLU A 48 -8.465 -13.942 -10.169 1.00 0.00 O ATOM 778 OE2 GLU A 48 -7.119 -14.082 -11.900 1.00 0.00 O ATOM 0 H GLU A 48 -6.833 -11.963 -6.436 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.113 -14.545 -7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.341 -12.785 -8.466 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.777 -12.091 -8.847 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.230 -13.758 -10.308 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.980 -15.010 -9.338 1.00 0.00 H new ATOM 785 N ILE A 49 -3.545 -12.530 -6.944 1.00 0.00 N ATOM 786 CA ILE A 49 -2.086 -12.482 -6.965 1.00 0.00 C ATOM 787 C ILE A 49 -1.524 -11.741 -5.756 1.00 0.00 C ATOM 788 O ILE A 49 -0.349 -11.377 -5.736 1.00 0.00 O ATOM 789 CB ILE A 49 -1.563 -11.814 -8.253 1.00 0.00 C ATOM 790 CG1 ILE A 49 -2.070 -10.374 -8.352 1.00 0.00 C ATOM 791 CG2 ILE A 49 -1.978 -12.620 -9.476 1.00 0.00 C ATOM 792 CD1 ILE A 49 -3.559 -10.264 -8.604 1.00 0.00 C ATOM 0 H ILE A 49 -3.991 -11.674 -6.615 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.745 -13.517 -6.932 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.474 -11.789 -8.215 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.828 -9.850 -7.428 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.537 -9.866 -9.156 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.601 -12.135 -10.376 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.565 -13.626 -9.406 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.066 -12.677 -9.523 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.842 -9.213 -8.661 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.807 -10.758 -9.543 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.102 -10.742 -7.789 1.00 0.00 H new ATOM 804 N LYS A 50 -2.365 -11.515 -4.748 1.00 0.00 N ATOM 805 CA LYS A 50 -1.941 -10.813 -3.539 1.00 0.00 C ATOM 806 C LYS A 50 -1.172 -9.539 -3.880 1.00 0.00 C ATOM 807 O LYS A 50 0.058 -9.503 -3.801 1.00 0.00 O ATOM 808 CB LYS A 50 -1.073 -11.728 -2.673 1.00 0.00 C ATOM 809 CG LYS A 50 -1.761 -13.025 -2.285 1.00 0.00 C ATOM 810 CD LYS A 50 -1.307 -14.176 -3.161 1.00 0.00 C ATOM 811 CE LYS A 50 -2.305 -15.322 -3.133 1.00 0.00 C ATOM 812 NZ LYS A 50 -2.042 -16.318 -4.215 1.00 0.00 N ATOM 0 H LYS A 50 -3.342 -11.807 -4.745 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.836 -10.533 -2.983 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.154 -11.960 -3.211 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.786 -11.193 -1.768 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.547 -13.254 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.841 -12.905 -2.370 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.180 -13.827 -4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.334 -14.531 -2.822 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.260 -15.819 -2.164 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.315 -14.926 -3.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -2.744 -17.083 -4.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.110 -15.850 -5.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.088 -16.715 -4.097 1.00 0.00 H new ATOM 826 N THR A 51 -1.901 -8.496 -4.265 1.00 0.00 N ATOM 827 CA THR A 51 -1.279 -7.229 -4.622 1.00 0.00 C ATOM 828 C THR A 51 -2.170 -6.047 -4.257 1.00 0.00 C ATOM 829 O THR A 51 -3.331 -5.978 -4.662 1.00 0.00 O ATOM 830 CB THR A 51 -0.961 -7.203 -6.120 1.00 0.00 C ATOM 831 OG1 THR A 51 -0.017 -8.207 -6.449 1.00 0.00 O ATOM 832 CG2 THR A 51 -0.405 -5.878 -6.601 1.00 0.00 C ATOM 0 H THR A 51 -2.918 -8.504 -4.337 1.00 0.00 H new ATOM 0 HA THR A 51 -0.353 -7.139 -4.054 1.00 0.00 H new ATOM 0 HB THR A 51 -1.916 -7.375 -6.616 1.00 0.00 H new ATOM 0 HG1 THR A 51 0.172 -8.176 -7.410 1.00 0.00 H new ATOM 0 HG21 THR A 51 -0.204 -5.935 -7.671 1.00 0.00 H new ATOM 0 HG22 THR A 51 -1.131 -5.088 -6.410 1.00 0.00 H new ATOM 0 HG23 THR A 51 0.520 -5.657 -6.069 1.00 0.00 H new ATOM 840 N PHE A 52 -1.609 -5.110 -3.498 1.00 0.00 N ATOM 841 CA PHE A 52 -2.339 -3.918 -3.086 1.00 0.00 C ATOM 842 C PHE A 52 -2.085 -2.787 -4.073 1.00 0.00 C ATOM 843 O PHE A 52 -0.985 -2.644 -4.602 1.00 0.00 O ATOM 844 CB PHE A 52 -1.916 -3.502 -1.676 1.00 0.00 C ATOM 845 CG PHE A 52 -2.932 -3.823 -0.620 1.00 0.00 C ATOM 846 CD1 PHE A 52 -3.926 -2.914 -0.297 1.00 0.00 C ATOM 847 CD2 PHE A 52 -2.891 -5.034 0.052 1.00 0.00 C ATOM 848 CE1 PHE A 52 -4.861 -3.207 0.677 1.00 0.00 C ATOM 849 CE2 PHE A 52 -3.824 -5.334 1.026 1.00 0.00 C ATOM 850 CZ PHE A 52 -4.811 -4.419 1.339 1.00 0.00 C ATOM 0 H PHE A 52 -0.649 -5.155 -3.156 1.00 0.00 H new ATOM 0 HA PHE A 52 -3.406 -4.140 -3.075 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.978 -3.998 -1.427 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -1.722 -2.429 -1.666 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -3.971 -1.966 -0.812 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.121 -5.752 -0.188 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.630 -2.489 0.921 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.782 -6.282 1.542 1.00 0.00 H new ATOM 0 HZ PHE A 52 -5.542 -4.651 2.100 1.00 0.00 H new ATOM 860 N THR A 53 -3.113 -1.998 -4.332 1.00 0.00 N ATOM 861 CA THR A 53 -2.998 -0.889 -5.277 1.00 0.00 C ATOM 862 C THR A 53 -3.815 0.326 -4.844 1.00 0.00 C ATOM 863 O THR A 53 -4.933 0.192 -4.347 1.00 0.00 O ATOM 864 CB THR A 53 -3.440 -1.338 -6.670 1.00 0.00 C ATOM 865 OG1 THR A 53 -2.813 -2.557 -7.026 1.00 0.00 O ATOM 866 CG2 THR A 53 -3.124 -0.327 -7.752 1.00 0.00 C ATOM 0 H THR A 53 -4.034 -2.099 -3.906 1.00 0.00 H new ATOM 0 HA THR A 53 -1.950 -0.591 -5.299 1.00 0.00 H new ATOM 0 HB THR A 53 -4.522 -1.454 -6.607 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.110 -2.829 -7.920 1.00 0.00 H new ATOM 0 HG21 THR A 53 -3.463 -0.707 -8.716 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.633 0.612 -7.533 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.048 -0.157 -7.788 1.00 0.00 H new ATOM 874 N VAL A 54 -3.256 1.514 -5.067 1.00 0.00 N ATOM 875 CA VAL A 54 -3.942 2.760 -4.732 1.00 0.00 C ATOM 876 C VAL A 54 -4.064 3.654 -5.965 1.00 0.00 C ATOM 877 O VAL A 54 -3.072 3.931 -6.641 1.00 0.00 O ATOM 878 CB VAL A 54 -3.238 3.525 -3.574 1.00 0.00 C ATOM 879 CG1 VAL A 54 -2.527 4.787 -4.073 1.00 0.00 C ATOM 880 CG2 VAL A 54 -4.257 3.890 -2.499 1.00 0.00 C ATOM 0 H VAL A 54 -2.331 1.640 -5.478 1.00 0.00 H new ATOM 0 HA VAL A 54 -4.941 2.494 -4.385 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.480 2.865 -3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.049 5.291 -3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.772 4.512 -4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -3.254 5.457 -4.532 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.758 4.425 -1.691 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.030 4.525 -2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.712 2.981 -2.105 1.00 0.00 H new ATOM 890 N THR A 55 -5.282 4.098 -6.257 1.00 0.00 N ATOM 891 CA THR A 55 -5.523 4.957 -7.412 1.00 0.00 C ATOM 892 C THR A 55 -5.972 6.348 -6.977 1.00 0.00 C ATOM 893 O THR A 55 -6.844 6.492 -6.121 1.00 0.00 O ATOM 894 CB THR A 55 -6.578 4.331 -8.331 1.00 0.00 C ATOM 895 OG1 THR A 55 -6.799 2.973 -7.993 1.00 0.00 O ATOM 896 CG2 THR A 55 -6.199 4.382 -9.795 1.00 0.00 C ATOM 0 H THR A 55 -6.116 3.878 -5.712 1.00 0.00 H new ATOM 0 HA THR A 55 -4.585 5.054 -7.959 1.00 0.00 H new ATOM 0 HB THR A 55 -7.479 4.926 -8.182 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.477 2.593 -8.590 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.988 3.923 -10.391 1.00 0.00 H new ATOM 0 HG22 THR A 55 -6.070 5.420 -10.102 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.266 3.840 -9.948 1.00 0.00 H new ATOM 904 N GLU A 56 -5.370 7.372 -7.575 1.00 0.00 N ATOM 905 CA GLU A 56 -5.709 8.753 -7.250 1.00 0.00 C ATOM 906 C GLU A 56 -7.070 9.129 -7.827 1.00 0.00 C ATOM 907 O GLU A 56 -7.566 10.229 -7.504 1.00 0.00 O ATOM 908 CB GLU A 56 -4.636 9.703 -7.785 1.00 0.00 C ATOM 909 CG GLU A 56 -4.261 9.443 -9.235 1.00 0.00 C ATOM 910 CD GLU A 56 -4.439 10.666 -10.113 1.00 0.00 C ATOM 911 OE1 GLU A 56 -3.491 11.474 -10.205 1.00 0.00 O ATOM 912 OE2 GLU A 56 -5.526 10.816 -10.710 1.00 0.00 O ATOM 913 OXT GLU A 56 -7.629 8.320 -8.598 1.00 0.00 O ATOM 0 H GLU A 56 -4.646 7.271 -8.286 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.756 8.843 -6.165 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.990 10.729 -7.689 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.743 9.615 -7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.223 9.113 -9.284 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.873 8.629 -9.624 1.00 0.00 H new